USER MOD reduce.3.24.130724 H: found=0, std=0, add=1419, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1415 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 THR OG1 : rot 180:sc= 0.8 USER MOD Set 1.2: A 134 SER OG : rot 130:sc= -0.0146 USER MOD Set 2.1: A 92 HIS : no HE2:sc= -0.401 K(o=-1.6,f=-4.1) USER MOD Set 2.2: A 94 MET CE :methyl -172:sc= -1.17 (180deg=-1.12) USER MOD Set 3.1: A 43 SER OG : rot -160:sc= 0 USER MOD Set 3.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.994 (180deg=0.378) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 73:sc= 0.671 USER MOD Single : A 13 MET CE :methyl 151:sc= -0.448 (180deg=-1.88!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -179:sc= -0.135 (180deg=-0.145) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.319 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 33 GLN : amide:sc= 0.829 K(o=0.83,f=-0.024) USER MOD Single : A 35 GLN : amide:sc= 1 K(o=1,f=-0.13) USER MOD Single : A 36 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.008) USER MOD Single : A 39 TYR OH : rot 100:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -125:sc= 0.72 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.0615 USER MOD Single : A 48 HIS : no HE2:sc= 0.567 K(o=0.57,f=-3.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -144:sc= 1.38 USER MOD Single : A 62 ASN :FLIP amide:sc= 0.632 F(o=0,f=0.63) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 70:sc= 0.0136 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.201 K(o=-0.2,f=-3.1!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 96 ASN : amide:sc= 0.274 K(o=0.27,f=-2.9!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 113 HIS : no HE2:sc= -0.515 K(o=-0.52,f=-3.6!) USER MOD Single : A 121 GLN : amide:sc= -1.82 K(o=-1.8,f=-9.1!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot -128:sc= 1.23 USER MOD Single : A 138 CYS SG : rot -27:sc= 0.0276 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 69:sc= 0.44 USER MOD Single : A 151 GLN : amide:sc= -0.0168 K(o=-0.017,f=-0.71) USER MOD Single : A 153 LYS NZ :NH3+ 151:sc= -0.652 (180deg=-1.37!) USER MOD Single : A 154 MET CE :methyl -168:sc= -0.281 (180deg=-0.539) USER MOD Single : A 155 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 161 SER OG : rot -160:sc= 0 USER MOD Single : A 163 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 166 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.875 23.232 16.721 1.00 10.95 N ATOM 2 CA MET A 1 8.421 23.303 16.428 1.00 9.78 C ATOM 3 C MET A 1 7.920 24.712 16.744 1.00 8.50 C ATOM 4 O MET A 1 7.910 25.129 17.902 1.00 9.45 O ATOM 5 CB MET A 1 7.595 22.241 17.189 1.00 11.37 C ATOM 6 CG MET A 1 7.915 20.789 16.793 1.00 12.86 C ATOM 7 SD MET A 1 9.497 20.097 17.368 1.00 15.27 S ATOM 8 CE MET A 1 9.092 19.745 19.102 1.00 16.81 C ATOM 0 H1 MET A 1 10.128 22.260 16.990 1.00 10.95 H new ATOM 0 H2 MET A 1 10.413 23.509 15.875 1.00 10.95 H new ATOM 0 H3 MET A 1 10.103 23.878 17.503 1.00 10.95 H new ATOM 0 HA MET A 1 8.283 23.082 15.370 1.00 9.78 H new ATOM 0 HB2 MET A 1 7.768 22.360 18.259 1.00 11.37 H new ATOM 0 HB3 MET A 1 6.535 22.428 17.015 1.00 11.37 H new ATOM 0 HG2 MET A 1 7.113 20.153 17.167 1.00 12.86 H new ATOM 0 HG3 MET A 1 7.893 20.723 15.705 1.00 12.86 H new ATOM 0 HE1 MET A 1 9.961 19.314 19.598 1.00 16.81 H new ATOM 0 HE2 MET A 1 8.809 20.670 19.604 1.00 16.81 H new ATOM 0 HE3 MET A 1 8.262 19.039 19.146 1.00 16.81 H new ATOM 20 N SER A 2 7.529 25.461 15.715 1.00 6.86 N ATOM 21 CA SER A 2 7.097 26.875 15.792 1.00 6.29 C ATOM 22 C SER A 2 5.663 27.063 15.241 1.00 4.61 C ATOM 23 O SER A 2 5.275 28.153 14.816 1.00 4.99 O ATOM 24 CB SER A 2 8.086 27.738 14.984 1.00 7.19 C ATOM 25 OG SER A 2 9.428 27.569 15.434 1.00 8.50 O ATOM 0 H SER A 2 7.499 25.095 14.763 1.00 6.86 H new ATOM 0 HA SER A 2 7.089 27.182 16.838 1.00 6.29 H new ATOM 0 HB2 SER A 2 8.021 27.473 13.929 1.00 7.19 H new ATOM 0 HB3 SER A 2 7.804 28.788 15.067 1.00 7.19 H new ATOM 0 HG SER A 2 10.026 28.130 14.897 1.00 8.50 H new ATOM 31 N ASP A 3 4.896 25.969 15.158 1.00 3.60 N ATOM 32 CA ASP A 3 3.991 25.699 14.034 1.00 2.32 C ATOM 33 C ASP A 3 2.766 24.861 14.445 1.00 2.18 C ATOM 34 O ASP A 3 1.646 25.372 14.419 1.00 2.95 O ATOM 35 CB ASP A 3 4.799 25.024 12.896 1.00 3.20 C ATOM 36 CG ASP A 3 5.951 24.123 13.388 1.00 4.97 C ATOM 37 OD1 ASP A 3 5.707 23.214 14.213 1.00 5.95 O ATOM 38 OD2 ASP A 3 7.125 24.406 13.052 1.00 6.06 O ATOM 0 H ASP A 3 4.886 25.242 15.873 1.00 3.60 H new ATOM 0 HA ASP A 3 3.584 26.646 13.679 1.00 2.32 H new ATOM 0 HB2 ASP A 3 4.120 24.427 12.288 1.00 3.20 H new ATOM 0 HB3 ASP A 3 5.209 25.798 12.248 1.00 3.20 H new ATOM 43 N LYS A 4 2.967 23.575 14.770 1.00 2.25 N ATOM 44 CA LYS A 4 1.933 22.553 15.046 1.00 2.10 C ATOM 45 C LYS A 4 1.056 22.217 13.816 1.00 1.85 C ATOM 46 O LYS A 4 0.073 21.480 13.920 1.00 1.75 O ATOM 47 CB LYS A 4 1.075 22.926 16.275 1.00 2.44 C ATOM 48 CG LYS A 4 1.910 23.198 17.536 1.00 3.43 C ATOM 49 CD LYS A 4 0.986 23.464 18.733 1.00 3.65 C ATOM 50 CE LYS A 4 1.772 23.760 20.018 1.00 4.94 C ATOM 51 NZ LYS A 4 2.447 25.085 19.979 1.00 4.99 N ATOM 0 H LYS A 4 3.909 23.193 14.853 1.00 2.25 H new ATOM 0 HA LYS A 4 2.475 21.638 15.284 1.00 2.10 H new ATOM 0 HB2 LYS A 4 0.483 23.811 16.041 1.00 2.44 H new ATOM 0 HB3 LYS A 4 0.373 22.117 16.479 1.00 2.44 H new ATOM 0 HG2 LYS A 4 2.554 22.344 17.746 1.00 3.43 H new ATOM 0 HG3 LYS A 4 2.562 24.056 17.372 1.00 3.43 H new ATOM 0 HD2 LYS A 4 0.334 24.307 18.506 1.00 3.65 H new ATOM 0 HD3 LYS A 4 0.344 22.598 18.893 1.00 3.65 H new ATOM 0 HE2 LYS A 4 1.094 23.726 20.871 1.00 4.94 H new ATOM 0 HE3 LYS A 4 2.518 22.980 20.172 1.00 4.94 H new ATOM 0 HZ1 LYS A 4 2.964 25.238 20.869 1.00 4.99 H new ATOM 0 HZ2 LYS A 4 3.115 25.111 19.182 1.00 4.99 H new ATOM 0 HZ3 LYS A 4 1.735 25.834 19.859 1.00 4.99 H new ATOM 65 N ASP A 5 1.405 22.732 12.637 1.00 1.87 N ATOM 66 CA ASP A 5 0.638 22.596 11.397 1.00 1.77 C ATOM 67 C ASP A 5 0.507 21.132 10.940 1.00 1.51 C ATOM 68 O ASP A 5 -0.582 20.696 10.576 1.00 1.46 O ATOM 69 CB ASP A 5 1.321 23.459 10.329 1.00 1.98 C ATOM 70 CG ASP A 5 0.552 23.446 8.999 1.00 2.30 C ATOM 71 OD1 ASP A 5 -0.530 24.075 8.928 1.00 3.01 O ATOM 72 OD2 ASP A 5 1.047 22.827 8.027 1.00 2.70 O ATOM 0 H ASP A 5 2.260 23.275 12.514 1.00 1.87 H new ATOM 0 HA ASP A 5 -0.383 22.937 11.566 1.00 1.77 H new ATOM 0 HB2 ASP A 5 1.403 24.484 10.690 1.00 1.98 H new ATOM 0 HB3 ASP A 5 2.336 23.096 10.164 1.00 1.98 H new ATOM 77 N PHE A 6 1.593 20.356 11.026 1.00 1.40 N ATOM 78 CA PHE A 6 1.619 18.916 10.744 1.00 1.22 C ATOM 79 C PHE A 6 0.840 18.098 11.785 1.00 1.17 C ATOM 80 O PHE A 6 0.156 17.147 11.412 1.00 1.07 O ATOM 81 CB PHE A 6 3.064 18.416 10.574 1.00 1.19 C ATOM 82 CG PHE A 6 4.080 19.011 11.531 1.00 2.26 C ATOM 83 CD1 PHE A 6 4.245 18.481 12.825 1.00 3.71 C ATOM 84 CD2 PHE A 6 4.846 20.119 11.122 1.00 3.55 C ATOM 85 CE1 PHE A 6 5.167 19.069 13.711 1.00 5.24 C ATOM 86 CE2 PHE A 6 5.768 20.702 12.004 1.00 5.30 C ATOM 87 CZ PHE A 6 5.925 20.179 13.297 1.00 5.86 C ATOM 0 H PHE A 6 2.504 20.723 11.302 1.00 1.40 H new ATOM 0 HA PHE A 6 1.102 18.762 9.797 1.00 1.22 H new ATOM 0 HB2 PHE A 6 3.071 17.332 10.692 1.00 1.19 H new ATOM 0 HB3 PHE A 6 3.385 18.627 9.554 1.00 1.19 H new ATOM 0 HD1 PHE A 6 3.665 17.625 13.137 1.00 3.71 H new ATOM 0 HD2 PHE A 6 4.724 20.521 10.127 1.00 3.55 H new ATOM 0 HE1 PHE A 6 5.292 18.669 14.706 1.00 5.24 H new ATOM 0 HE2 PHE A 6 6.356 21.551 11.689 1.00 5.30 H new ATOM 0 HZ PHE A 6 6.631 20.631 13.977 1.00 5.86 H new ATOM 97 N PHE A 7 0.905 18.469 13.070 1.00 1.29 N ATOM 98 CA PHE A 7 0.084 17.860 14.125 1.00 1.29 C ATOM 99 C PHE A 7 -1.404 18.076 13.835 1.00 1.22 C ATOM 100 O PHE A 7 -2.199 17.144 13.916 1.00 1.11 O ATOM 101 CB PHE A 7 0.454 18.472 15.492 1.00 1.45 C ATOM 102 CG PHE A 7 -0.601 18.288 16.573 1.00 1.43 C ATOM 103 CD1 PHE A 7 -0.720 17.058 17.247 1.00 2.52 C ATOM 104 CD2 PHE A 7 -1.499 19.335 16.870 1.00 1.64 C ATOM 105 CE1 PHE A 7 -1.726 16.878 18.214 1.00 2.54 C ATOM 106 CE2 PHE A 7 -2.507 19.152 17.834 1.00 1.63 C ATOM 107 CZ PHE A 7 -2.620 17.924 18.509 1.00 1.45 C ATOM 0 H PHE A 7 1.529 19.201 13.408 1.00 1.29 H new ATOM 0 HA PHE A 7 0.279 16.788 14.149 1.00 1.29 H new ATOM 0 HB2 PHE A 7 1.388 18.026 15.834 1.00 1.45 H new ATOM 0 HB3 PHE A 7 0.639 19.538 15.360 1.00 1.45 H new ATOM 0 HD1 PHE A 7 -0.038 16.251 17.022 1.00 2.52 H new ATOM 0 HD2 PHE A 7 -1.412 20.280 16.355 1.00 1.64 H new ATOM 0 HE1 PHE A 7 -1.812 15.934 18.732 1.00 2.54 H new ATOM 0 HE2 PHE A 7 -3.194 19.955 18.056 1.00 1.63 H new ATOM 0 HZ PHE A 7 -3.391 17.784 19.252 1.00 1.45 H new ATOM 117 N SER A 8 -1.777 19.303 13.481 1.00 1.34 N ATOM 118 CA SER A 8 -3.165 19.689 13.209 1.00 1.35 C ATOM 119 C SER A 8 -3.692 19.050 11.912 1.00 1.19 C ATOM 120 O SER A 8 -4.833 18.588 11.855 1.00 1.10 O ATOM 121 CB SER A 8 -3.255 21.220 13.182 1.00 1.61 C ATOM 122 OG SER A 8 -4.605 21.662 13.146 1.00 1.66 O ATOM 0 H SER A 8 -1.115 20.072 13.372 1.00 1.34 H new ATOM 0 HA SER A 8 -3.808 19.312 14.004 1.00 1.35 H new ATOM 0 HB2 SER A 8 -2.760 21.630 14.062 1.00 1.61 H new ATOM 0 HB3 SER A 8 -2.723 21.601 12.311 1.00 1.61 H new ATOM 0 HG SER A 8 -4.628 22.642 13.131 1.00 1.66 H new ATOM 128 N TRP A 9 -2.833 18.923 10.893 1.00 1.16 N ATOM 129 CA TRP A 9 -3.126 18.198 9.654 1.00 1.07 C ATOM 130 C TRP A 9 -3.341 16.711 9.945 1.00 0.86 C ATOM 131 O TRP A 9 -4.350 16.150 9.520 1.00 0.81 O ATOM 132 CB TRP A 9 -1.986 18.410 8.643 1.00 1.12 C ATOM 133 CG TRP A 9 -2.045 17.590 7.382 1.00 1.13 C ATOM 134 CD1 TRP A 9 -3.166 17.245 6.707 1.00 1.63 C ATOM 135 CD2 TRP A 9 -0.938 17.004 6.623 1.00 1.85 C ATOM 136 NE1 TRP A 9 -2.837 16.470 5.612 1.00 1.36 N ATOM 137 CE2 TRP A 9 -1.475 16.294 5.505 1.00 1.53 C ATOM 138 CE3 TRP A 9 0.470 17.003 6.759 1.00 3.28 C ATOM 139 CZ2 TRP A 9 -0.665 15.620 4.577 1.00 2.36 C ATOM 140 CZ3 TRP A 9 1.293 16.336 5.829 1.00 4.28 C ATOM 141 CH2 TRP A 9 0.730 15.644 4.741 1.00 3.80 C ATOM 0 H TRP A 9 -1.898 19.330 10.909 1.00 1.16 H new ATOM 0 HA TRP A 9 -4.046 18.588 9.219 1.00 1.07 H new ATOM 0 HB2 TRP A 9 -1.969 19.464 8.364 1.00 1.12 H new ATOM 0 HB3 TRP A 9 -1.042 18.197 9.144 1.00 1.12 H new ATOM 0 HD1 TRP A 9 -4.169 17.533 6.984 1.00 1.63 H new ATOM 0 HE1 TRP A 9 -3.518 16.077 4.963 1.00 1.36 H new ATOM 0 HE3 TRP A 9 0.923 17.523 7.590 1.00 3.28 H new ATOM 0 HZ2 TRP A 9 -1.109 15.090 3.747 1.00 2.36 H new ATOM 0 HZ3 TRP A 9 2.366 16.356 5.953 1.00 4.28 H new ATOM 0 HH2 TRP A 9 1.368 15.133 4.035 1.00 3.80 H new ATOM 152 N ARG A 10 -2.462 16.085 10.740 1.00 0.80 N ATOM 153 CA ARG A 10 -2.627 14.680 11.135 1.00 0.64 C ATOM 154 C ARG A 10 -3.901 14.497 11.964 1.00 0.63 C ATOM 155 O ARG A 10 -4.663 13.575 11.705 1.00 0.55 O ATOM 156 CB ARG A 10 -1.387 14.147 11.885 1.00 0.73 C ATOM 157 CG ARG A 10 -1.257 12.644 11.606 1.00 0.94 C ATOM 158 CD ARG A 10 -0.260 11.874 12.471 1.00 1.60 C ATOM 159 NE ARG A 10 -0.263 10.467 12.032 1.00 3.17 N ATOM 160 CZ ARG A 10 0.743 9.733 11.582 1.00 4.76 C ATOM 161 NH1 ARG A 10 1.998 10.129 11.590 1.00 5.11 N ATOM 162 NH2 ARG A 10 0.442 8.563 11.079 1.00 6.44 N ATOM 0 H ARG A 10 -1.628 16.531 11.123 1.00 0.80 H new ATOM 0 HA ARG A 10 -2.727 14.089 10.224 1.00 0.64 H new ATOM 0 HB2 ARG A 10 -0.491 14.672 11.555 1.00 0.73 H new ATOM 0 HB3 ARG A 10 -1.486 14.326 12.956 1.00 0.73 H new ATOM 0 HG2 ARG A 10 -2.239 12.188 11.729 1.00 0.94 H new ATOM 0 HG3 ARG A 10 -0.974 12.514 10.561 1.00 0.94 H new ATOM 0 HD2 ARG A 10 0.738 12.301 12.373 1.00 1.60 H new ATOM 0 HD3 ARG A 10 -0.535 11.945 13.523 1.00 1.60 H new ATOM 0 HE ARG A 10 -1.165 9.993 12.082 1.00 3.17 H new ATOM 0 HH11 ARG A 10 2.240 11.049 11.958 1.00 5.11 H new ATOM 0 HH12 ARG A 10 2.729 9.516 11.228 1.00 5.11 H new ATOM 0 HH21 ARG A 10 -0.530 8.256 11.048 1.00 6.44 H new ATOM 0 HH22 ARG A 10 1.180 7.958 10.718 1.00 6.44 H new ATOM 176 N ARG A 11 -4.195 15.408 12.896 1.00 0.76 N ATOM 177 CA ARG A 11 -5.430 15.404 13.696 1.00 0.79 C ATOM 178 C ARG A 11 -6.685 15.529 12.815 1.00 0.70 C ATOM 179 O ARG A 11 -7.646 14.784 13.021 1.00 0.64 O ATOM 180 CB ARG A 11 -5.339 16.528 14.746 1.00 1.01 C ATOM 181 CG ARG A 11 -6.624 16.647 15.571 1.00 1.20 C ATOM 182 CD ARG A 11 -6.469 17.596 16.763 1.00 2.05 C ATOM 183 NE ARG A 11 -7.760 17.794 17.452 1.00 2.22 N ATOM 184 CZ ARG A 11 -8.390 16.940 18.254 1.00 3.21 C ATOM 185 NH1 ARG A 11 -7.873 15.778 18.598 1.00 4.57 N ATOM 186 NH2 ARG A 11 -9.579 17.251 18.726 1.00 3.40 N ATOM 0 H ARG A 11 -3.573 16.184 13.122 1.00 0.76 H new ATOM 0 HA ARG A 11 -5.527 14.447 14.208 1.00 0.79 H new ATOM 0 HB2 ARG A 11 -4.497 16.335 15.411 1.00 1.01 H new ATOM 0 HB3 ARG A 11 -5.140 17.476 14.246 1.00 1.01 H new ATOM 0 HG2 ARG A 11 -7.432 17.002 14.931 1.00 1.20 H new ATOM 0 HG3 ARG A 11 -6.913 15.660 15.932 1.00 1.20 H new ATOM 0 HD2 ARG A 11 -5.738 17.191 17.462 1.00 2.05 H new ATOM 0 HD3 ARG A 11 -6.084 18.557 16.420 1.00 2.05 H new ATOM 0 HE ARG A 11 -8.222 18.690 17.295 1.00 2.22 H new ATOM 0 HH11 ARG A 11 -6.956 15.504 18.247 1.00 4.57 H new ATOM 0 HH12 ARG A 11 -8.390 15.153 19.216 1.00 4.57 H new ATOM 0 HH21 ARG A 11 -10.010 18.141 18.476 1.00 3.40 H new ATOM 0 HH22 ARG A 11 -10.069 16.602 19.342 1.00 3.40 H new ATOM 200 N THR A 12 -6.655 16.403 11.798 1.00 0.74 N ATOM 201 CA THR A 12 -7.729 16.536 10.796 1.00 0.73 C ATOM 202 C THR A 12 -7.892 15.232 10.041 1.00 0.65 C ATOM 203 O THR A 12 -9.001 14.727 9.948 1.00 0.65 O ATOM 204 CB THR A 12 -7.435 17.676 9.809 1.00 0.82 C ATOM 205 OG1 THR A 12 -7.402 18.889 10.527 1.00 0.92 O ATOM 206 CG2 THR A 12 -8.501 17.796 8.713 1.00 0.85 C ATOM 0 H THR A 12 -5.877 17.045 11.644 1.00 0.74 H new ATOM 0 HA THR A 12 -8.654 16.774 11.321 1.00 0.73 H new ATOM 0 HB THR A 12 -6.482 17.459 9.326 1.00 0.82 H new ATOM 0 HG1 THR A 12 -6.579 18.933 11.057 1.00 0.92 H new ATOM 0 HG21 THR A 12 -8.244 18.617 8.044 1.00 0.85 H new ATOM 0 HG22 THR A 12 -8.546 16.866 8.146 1.00 0.85 H new ATOM 0 HG23 THR A 12 -9.472 17.991 9.169 1.00 0.85 H new ATOM 214 N MET A 13 -6.793 14.630 9.593 1.00 0.61 N ATOM 215 CA MET A 13 -6.796 13.372 8.848 1.00 0.56 C ATOM 216 C MET A 13 -7.310 12.207 9.701 1.00 0.46 C ATOM 217 O MET A 13 -8.135 11.442 9.216 1.00 0.51 O ATOM 218 CB MET A 13 -5.375 13.108 8.329 1.00 0.66 C ATOM 219 CG MET A 13 -4.917 14.089 7.237 1.00 1.85 C ATOM 220 SD MET A 13 -5.304 13.665 5.516 1.00 1.25 S ATOM 221 CE MET A 13 -7.065 14.063 5.428 1.00 1.62 C ATOM 0 H MET A 13 -5.858 15.009 9.740 1.00 0.61 H new ATOM 0 HA MET A 13 -7.482 13.455 8.005 1.00 0.56 H new ATOM 0 HB2 MET A 13 -4.678 13.160 9.165 1.00 0.66 H new ATOM 0 HB3 MET A 13 -5.326 12.093 7.935 1.00 0.66 H new ATOM 0 HG2 MET A 13 -5.359 15.062 7.452 1.00 1.85 H new ATOM 0 HG3 MET A 13 -3.836 14.205 7.320 1.00 1.85 H new ATOM 0 HE1 MET A 13 -7.322 14.353 4.409 1.00 1.62 H new ATOM 0 HE2 MET A 13 -7.650 13.190 5.716 1.00 1.62 H new ATOM 0 HE3 MET A 13 -7.286 14.887 6.106 1.00 1.62 H new ATOM 231 N LEU A 14 -6.924 12.108 10.977 1.00 0.45 N ATOM 232 CA LEU A 14 -7.458 11.114 11.923 1.00 0.52 C ATOM 233 C LEU A 14 -8.985 11.227 12.036 1.00 0.56 C ATOM 234 O LEU A 14 -9.684 10.214 12.008 1.00 0.66 O ATOM 235 CB LEU A 14 -6.786 11.282 13.311 1.00 0.68 C ATOM 236 CG LEU A 14 -5.647 10.275 13.590 1.00 0.91 C ATOM 237 CD1 LEU A 14 -4.304 10.769 13.043 1.00 2.23 C ATOM 238 CD2 LEU A 14 -5.489 10.008 15.094 1.00 1.69 C ATOM 0 H LEU A 14 -6.223 12.723 11.391 1.00 0.45 H new ATOM 0 HA LEU A 14 -7.227 10.118 11.544 1.00 0.52 H new ATOM 0 HB2 LEU A 14 -6.388 12.294 13.390 1.00 0.68 H new ATOM 0 HB3 LEU A 14 -7.546 11.177 14.085 1.00 0.68 H new ATOM 0 HG LEU A 14 -5.927 9.353 13.081 1.00 0.91 H new ATOM 0 HD11 LEU A 14 -3.530 10.033 13.260 1.00 2.23 H new ATOM 0 HD12 LEU A 14 -4.380 10.909 11.965 1.00 2.23 H new ATOM 0 HD13 LEU A 14 -4.045 11.717 13.515 1.00 2.23 H new ATOM 0 HD21 LEU A 14 -4.680 9.296 15.254 1.00 1.69 H new ATOM 0 HD22 LEU A 14 -5.258 10.942 15.607 1.00 1.69 H new ATOM 0 HD23 LEU A 14 -6.418 9.597 15.490 1.00 1.69 H new ATOM 250 N LEU A 15 -9.505 12.456 12.092 1.00 0.52 N ATOM 251 CA LEU A 15 -10.940 12.751 12.091 1.00 0.58 C ATOM 252 C LEU A 15 -11.569 12.346 10.749 1.00 0.66 C ATOM 253 O LEU A 15 -12.570 11.632 10.759 1.00 0.80 O ATOM 254 CB LEU A 15 -11.107 14.234 12.500 1.00 0.55 C ATOM 255 CG LEU A 15 -12.516 14.727 12.885 1.00 0.71 C ATOM 256 CD1 LEU A 15 -13.424 14.830 11.661 1.00 0.96 C ATOM 257 CD2 LEU A 15 -13.186 13.855 13.956 1.00 1.05 C ATOM 0 H LEU A 15 -8.925 13.294 12.140 1.00 0.52 H new ATOM 0 HA LEU A 15 -11.494 12.160 12.820 1.00 0.58 H new ATOM 0 HB2 LEU A 15 -10.445 14.423 13.345 1.00 0.55 H new ATOM 0 HB3 LEU A 15 -10.753 14.850 11.673 1.00 0.55 H new ATOM 0 HG LEU A 15 -12.375 15.720 13.313 1.00 0.71 H new ATOM 0 HD11 LEU A 15 -14.410 15.180 11.968 1.00 0.96 H new ATOM 0 HD12 LEU A 15 -12.995 15.533 10.948 1.00 0.96 H new ATOM 0 HD13 LEU A 15 -13.517 13.850 11.193 1.00 0.96 H new ATOM 0 HD21 LEU A 15 -14.175 14.254 14.184 1.00 1.05 H new ATOM 0 HD22 LEU A 15 -13.283 12.834 13.586 1.00 1.05 H new ATOM 0 HD23 LEU A 15 -12.577 13.857 14.860 1.00 1.05 H new ATOM 269 N ARG A 16 -10.958 12.690 9.608 1.00 0.66 N ATOM 270 CA ARG A 16 -11.466 12.307 8.278 1.00 0.86 C ATOM 271 C ARG A 16 -11.553 10.782 8.132 1.00 0.94 C ATOM 272 O ARG A 16 -12.598 10.265 7.740 1.00 1.08 O ATOM 273 CB ARG A 16 -10.590 12.889 7.150 1.00 0.90 C ATOM 274 CG ARG A 16 -10.476 14.424 7.183 1.00 1.18 C ATOM 275 CD ARG A 16 -10.493 15.090 5.805 1.00 1.06 C ATOM 276 NE ARG A 16 -11.834 15.062 5.189 1.00 1.42 N ATOM 277 CZ ARG A 16 -12.837 15.901 5.433 1.00 2.61 C ATOM 278 NH1 ARG A 16 -12.739 16.874 6.317 1.00 3.72 N ATOM 279 NH2 ARG A 16 -13.971 15.772 4.780 1.00 3.35 N ATOM 0 H ARG A 16 -10.100 13.240 9.577 1.00 0.66 H new ATOM 0 HA ARG A 16 -12.469 12.725 8.189 1.00 0.86 H new ATOM 0 HB2 ARG A 16 -9.591 12.458 7.219 1.00 0.90 H new ATOM 0 HB3 ARG A 16 -11.003 12.585 6.188 1.00 0.90 H new ATOM 0 HG2 ARG A 16 -11.298 14.824 7.777 1.00 1.18 H new ATOM 0 HG3 ARG A 16 -9.552 14.697 7.693 1.00 1.18 H new ATOM 0 HD2 ARG A 16 -10.160 16.124 5.899 1.00 1.06 H new ATOM 0 HD3 ARG A 16 -9.783 14.584 5.150 1.00 1.06 H new ATOM 0 HE ARG A 16 -12.009 14.324 4.507 1.00 1.42 H new ATOM 0 HH11 ARG A 16 -11.873 17.002 6.840 1.00 3.72 H new ATOM 0 HH12 ARG A 16 -13.529 17.499 6.478 1.00 3.72 H new ATOM 0 HH21 ARG A 16 -14.080 15.030 4.089 1.00 3.35 H new ATOM 0 HH22 ARG A 16 -14.742 16.414 4.965 1.00 3.35 H new ATOM 293 N PHE A 17 -10.503 10.057 8.531 1.00 0.88 N ATOM 294 CA PHE A 17 -10.431 8.594 8.493 1.00 1.00 C ATOM 295 C PHE A 17 -11.422 7.931 9.460 1.00 1.09 C ATOM 296 O PHE A 17 -11.974 6.880 9.138 1.00 1.22 O ATOM 297 CB PHE A 17 -8.977 8.124 8.685 1.00 0.97 C ATOM 298 CG PHE A 17 -8.163 8.107 7.395 1.00 0.98 C ATOM 299 CD1 PHE A 17 -8.356 7.074 6.455 1.00 1.98 C ATOM 300 CD2 PHE A 17 -7.197 9.100 7.133 1.00 1.77 C ATOM 301 CE1 PHE A 17 -7.605 7.044 5.264 1.00 2.08 C ATOM 302 CE2 PHE A 17 -6.445 9.076 5.946 1.00 1.76 C ATOM 303 CZ PHE A 17 -6.656 8.049 5.009 1.00 1.16 C ATOM 0 H PHE A 17 -9.654 10.486 8.900 1.00 0.88 H new ATOM 0 HA PHE A 17 -10.747 8.263 7.504 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -8.485 8.777 9.406 1.00 0.97 H new ATOM 0 HB3 PHE A 17 -8.982 7.122 9.114 1.00 0.97 H new ATOM 0 HD1 PHE A 17 -9.084 6.301 6.650 1.00 1.98 H new ATOM 0 HD2 PHE A 17 -7.033 9.888 7.853 1.00 1.77 H new ATOM 0 HE1 PHE A 17 -7.758 6.250 4.548 1.00 2.08 H new ATOM 0 HE2 PHE A 17 -5.709 9.843 5.754 1.00 1.76 H new ATOM 0 HZ PHE A 17 -6.087 8.032 4.091 1.00 1.16 H new ATOM 313 N GLN A 18 -11.694 8.538 10.620 1.00 1.02 N ATOM 314 CA GLN A 18 -12.742 8.072 11.535 1.00 1.11 C ATOM 315 C GLN A 18 -14.161 8.314 10.976 1.00 1.15 C ATOM 316 O GLN A 18 -15.021 7.439 11.100 1.00 1.47 O ATOM 317 CB GLN A 18 -12.533 8.736 12.906 1.00 1.05 C ATOM 318 CG GLN A 18 -13.413 8.099 13.993 1.00 1.47 C ATOM 319 CD GLN A 18 -12.960 8.504 15.397 1.00 1.60 C ATOM 320 OE1 GLN A 18 -13.464 9.443 16.003 1.00 1.90 O ATOM 321 NE2 GLN A 18 -11.984 7.820 15.965 1.00 2.71 N ATOM 0 H GLN A 18 -11.195 9.364 10.951 1.00 1.02 H new ATOM 0 HA GLN A 18 -12.660 6.991 11.647 1.00 1.11 H new ATOM 0 HB2 GLN A 18 -11.485 8.653 13.193 1.00 1.05 H new ATOM 0 HB3 GLN A 18 -12.760 9.800 12.832 1.00 1.05 H new ATOM 0 HG2 GLN A 18 -14.450 8.400 13.844 1.00 1.47 H new ATOM 0 HG3 GLN A 18 -13.379 7.014 13.899 1.00 1.47 H new ATOM 0 HE21 GLN A 18 -11.556 7.036 15.472 1.00 2.71 H new ATOM 0 HE22 GLN A 18 -11.658 8.075 16.897 1.00 2.71 H new ATOM 330 N ARG A 19 -14.411 9.456 10.317 1.00 0.99 N ATOM 331 CA ARG A 19 -15.724 9.815 9.757 1.00 1.05 C ATOM 332 C ARG A 19 -16.113 9.026 8.496 1.00 1.35 C ATOM 333 O ARG A 19 -17.293 9.005 8.146 1.00 1.48 O ATOM 334 CB ARG A 19 -15.775 11.328 9.463 1.00 1.03 C ATOM 335 CG ARG A 19 -15.922 12.220 10.710 1.00 1.38 C ATOM 336 CD ARG A 19 -17.363 12.396 11.220 1.00 1.25 C ATOM 337 NE ARG A 19 -17.951 11.132 11.699 1.00 1.83 N ATOM 338 CZ ARG A 19 -19.021 10.503 11.225 1.00 2.73 C ATOM 339 NH1 ARG A 19 -19.852 11.043 10.358 1.00 3.49 N ATOM 340 NH2 ARG A 19 -19.256 9.279 11.628 1.00 4.16 N ATOM 0 H ARG A 19 -13.697 10.166 10.156 1.00 0.99 H new ATOM 0 HA ARG A 19 -16.456 9.544 10.518 1.00 1.05 H new ATOM 0 HB2 ARG A 19 -14.865 11.613 8.934 1.00 1.03 H new ATOM 0 HB3 ARG A 19 -16.610 11.526 8.791 1.00 1.03 H new ATOM 0 HG2 ARG A 19 -15.318 11.798 11.513 1.00 1.38 H new ATOM 0 HG3 ARG A 19 -15.510 13.204 10.485 1.00 1.38 H new ATOM 0 HD2 ARG A 19 -17.372 13.127 12.029 1.00 1.25 H new ATOM 0 HD3 ARG A 19 -17.982 12.800 10.419 1.00 1.25 H new ATOM 0 HE ARG A 19 -17.481 10.688 12.488 1.00 1.83 H new ATOM 0 HH11 ARG A 19 -19.689 11.990 10.017 1.00 3.49 H new ATOM 0 HH12 ARG A 19 -20.659 10.514 10.027 1.00 3.49 H new ATOM 0 HH21 ARG A 19 -18.624 8.830 12.291 1.00 4.16 H new ATOM 0 HH22 ARG A 19 -20.071 8.775 11.279 1.00 4.16 H new ATOM 354 N MET A 20 -15.166 8.347 7.836 1.00 1.44 N ATOM 355 CA MET A 20 -15.411 7.479 6.669 1.00 1.60 C ATOM 356 C MET A 20 -16.484 6.410 6.857 1.00 1.77 C ATOM 357 O MET A 20 -17.161 6.078 5.885 1.00 3.46 O ATOM 358 CB MET A 20 -14.090 6.827 6.256 1.00 1.62 C ATOM 359 CG MET A 20 -13.305 7.870 5.472 1.00 1.92 C ATOM 360 SD MET A 20 -11.599 7.438 5.142 1.00 1.83 S ATOM 361 CE MET A 20 -11.086 9.103 4.716 1.00 1.18 C ATOM 0 H MET A 20 -14.182 8.385 8.103 1.00 1.44 H new ATOM 0 HA MET A 20 -15.806 8.130 5.889 1.00 1.60 H new ATOM 0 HB2 MET A 20 -13.530 6.501 7.133 1.00 1.62 H new ATOM 0 HB3 MET A 20 -14.271 5.942 5.646 1.00 1.62 H new ATOM 0 HG2 MET A 20 -13.810 8.046 4.522 1.00 1.92 H new ATOM 0 HG3 MET A 20 -13.326 8.810 6.023 1.00 1.92 H new ATOM 0 HE1 MET A 20 -10.030 9.100 4.445 1.00 1.18 H new ATOM 0 HE2 MET A 20 -11.676 9.461 3.873 1.00 1.18 H new ATOM 0 HE3 MET A 20 -11.239 9.761 5.571 1.00 1.18 H new ATOM 371 N GLU A 21 -16.637 5.860 8.067 1.00 1.19 N ATOM 372 CA GLU A 21 -17.751 4.983 8.472 1.00 1.25 C ATOM 373 C GLU A 21 -17.728 3.583 7.800 1.00 1.18 C ATOM 374 O GLU A 21 -18.426 2.677 8.263 1.00 1.21 O ATOM 375 CB GLU A 21 -19.097 5.701 8.203 1.00 1.40 C ATOM 376 CG GLU A 21 -20.223 5.363 9.188 1.00 1.71 C ATOM 377 CD GLU A 21 -20.190 6.272 10.426 1.00 3.08 C ATOM 378 OE1 GLU A 21 -20.824 7.355 10.390 1.00 3.29 O ATOM 379 OE2 GLU A 21 -19.542 5.911 11.436 1.00 4.64 O ATOM 0 H GLU A 21 -15.967 6.016 8.820 1.00 1.19 H new ATOM 0 HA GLU A 21 -17.632 4.793 9.539 1.00 1.25 H new ATOM 0 HB2 GLU A 21 -18.927 6.778 8.225 1.00 1.40 H new ATOM 0 HB3 GLU A 21 -19.429 5.451 7.196 1.00 1.40 H new ATOM 0 HG2 GLU A 21 -21.186 5.465 8.688 1.00 1.71 H new ATOM 0 HG3 GLU A 21 -20.134 4.322 9.499 1.00 1.71 H new ATOM 386 N THR A 22 -16.948 3.398 6.718 1.00 1.10 N ATOM 387 CA THR A 22 -16.857 2.181 5.896 1.00 1.08 C ATOM 388 C THR A 22 -15.438 1.921 5.392 1.00 0.98 C ATOM 389 O THR A 22 -14.684 2.850 5.095 1.00 0.93 O ATOM 390 CB THR A 22 -17.798 2.229 4.683 1.00 1.21 C ATOM 391 OG1 THR A 22 -17.366 3.217 3.770 1.00 1.22 O ATOM 392 CG2 THR A 22 -19.264 2.493 5.023 1.00 1.33 C ATOM 0 H THR A 22 -16.331 4.136 6.377 1.00 1.10 H new ATOM 0 HA THR A 22 -17.157 1.369 6.558 1.00 1.08 H new ATOM 0 HB THR A 22 -17.749 1.231 4.248 1.00 1.21 H new ATOM 0 HG1 THR A 22 -17.972 3.238 3.000 1.00 1.22 H new ATOM 0 HG21 THR A 22 -19.853 2.510 4.106 1.00 1.33 H new ATOM 0 HG22 THR A 22 -19.634 1.703 5.677 1.00 1.33 H new ATOM 0 HG23 THR A 22 -19.353 3.455 5.529 1.00 1.33 H new ATOM 400 N ALA A 23 -15.110 0.641 5.188 1.00 1.00 N ATOM 401 CA ALA A 23 -13.864 0.200 4.552 1.00 1.00 C ATOM 402 C ALA A 23 -13.765 0.701 3.103 1.00 1.02 C ATOM 403 O ALA A 23 -12.671 0.963 2.607 1.00 1.09 O ATOM 404 CB ALA A 23 -13.795 -1.332 4.624 1.00 1.06 C ATOM 0 H ALA A 23 -15.715 -0.132 5.466 1.00 1.00 H new ATOM 0 HA ALA A 23 -13.013 0.627 5.084 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -12.874 -1.677 4.155 1.00 1.06 H new ATOM 0 HB2 ALA A 23 -13.812 -1.648 5.667 1.00 1.06 H new ATOM 0 HB3 ALA A 23 -14.650 -1.760 4.101 1.00 1.06 H new ATOM 410 N GLU A 24 -14.918 0.861 2.447 1.00 1.07 N ATOM 411 CA GLU A 24 -15.025 1.397 1.097 1.00 1.17 C ATOM 412 C GLU A 24 -14.488 2.831 1.047 1.00 1.05 C ATOM 413 O GLU A 24 -13.604 3.115 0.241 1.00 1.07 O ATOM 414 CB GLU A 24 -16.470 1.328 0.578 1.00 1.36 C ATOM 415 CG GLU A 24 -17.033 -0.100 0.583 1.00 1.44 C ATOM 416 CD GLU A 24 -18.428 -0.142 -0.062 1.00 1.88 C ATOM 417 OE1 GLU A 24 -19.420 0.225 0.610 1.00 2.82 O ATOM 418 OE2 GLU A 24 -18.543 -0.563 -1.237 1.00 2.34 O ATOM 0 H GLU A 24 -15.820 0.614 2.854 1.00 1.07 H new ATOM 0 HA GLU A 24 -14.415 0.779 0.439 1.00 1.17 H new ATOM 0 HB2 GLU A 24 -17.104 1.966 1.194 1.00 1.36 H new ATOM 0 HB3 GLU A 24 -16.507 1.725 -0.436 1.00 1.36 H new ATOM 0 HG2 GLU A 24 -16.358 -0.763 0.042 1.00 1.44 H new ATOM 0 HG3 GLU A 24 -17.090 -0.469 1.607 1.00 1.44 H new ATOM 425 N GLU A 25 -14.943 3.728 1.933 1.00 1.00 N ATOM 426 CA GLU A 25 -14.440 5.105 1.913 1.00 0.98 C ATOM 427 C GLU A 25 -12.978 5.200 2.389 1.00 0.89 C ATOM 428 O GLU A 25 -12.228 6.016 1.850 1.00 0.89 O ATOM 429 CB GLU A 25 -15.373 6.103 2.614 1.00 1.28 C ATOM 430 CG GLU A 25 -15.183 7.505 2.013 1.00 1.81 C ATOM 431 CD GLU A 25 -16.284 8.478 2.458 1.00 2.42 C ATOM 432 OE1 GLU A 25 -16.113 9.165 3.491 1.00 3.38 O ATOM 433 OE2 GLU A 25 -17.314 8.584 1.748 1.00 2.87 O ATOM 0 H GLU A 25 -15.639 3.532 2.653 1.00 1.00 H new ATOM 0 HA GLU A 25 -14.438 5.411 0.867 1.00 0.98 H new ATOM 0 HB2 GLU A 25 -16.410 5.786 2.501 1.00 1.28 H new ATOM 0 HB3 GLU A 25 -15.161 6.124 3.683 1.00 1.28 H new ATOM 0 HG2 GLU A 25 -14.211 7.898 2.311 1.00 1.81 H new ATOM 0 HG3 GLU A 25 -15.179 7.435 0.925 1.00 1.81 H new ATOM 440 N VAL A 26 -12.545 4.337 3.320 1.00 0.87 N ATOM 441 CA VAL A 26 -11.124 4.239 3.732 1.00 0.84 C ATOM 442 C VAL A 26 -10.203 3.945 2.546 1.00 0.86 C ATOM 443 O VAL A 26 -9.164 4.596 2.417 1.00 0.83 O ATOM 444 CB VAL A 26 -10.893 3.200 4.853 1.00 0.85 C ATOM 445 CG1 VAL A 26 -9.403 2.999 5.182 1.00 0.88 C ATOM 446 CG2 VAL A 26 -11.582 3.631 6.160 1.00 0.94 C ATOM 0 H VAL A 26 -13.161 3.688 3.810 1.00 0.87 H new ATOM 0 HA VAL A 26 -10.870 5.219 4.135 1.00 0.84 H new ATOM 0 HB VAL A 26 -11.313 2.270 4.471 1.00 0.85 H new ATOM 0 HG11 VAL A 26 -9.302 2.259 5.976 1.00 0.88 H new ATOM 0 HG12 VAL A 26 -8.878 2.651 4.293 1.00 0.88 H new ATOM 0 HG13 VAL A 26 -8.972 3.945 5.511 1.00 0.88 H new ATOM 0 HG21 VAL A 26 -11.402 2.881 6.930 1.00 0.94 H new ATOM 0 HG22 VAL A 26 -11.178 4.590 6.485 1.00 0.94 H new ATOM 0 HG23 VAL A 26 -12.654 3.728 5.991 1.00 0.94 H new ATOM 456 N TYR A 27 -10.573 3.012 1.659 1.00 0.97 N ATOM 457 CA TYR A 27 -9.771 2.742 0.464 1.00 1.06 C ATOM 458 C TYR A 27 -10.004 3.821 -0.619 1.00 1.03 C ATOM 459 O TYR A 27 -9.096 4.169 -1.372 1.00 1.07 O ATOM 460 CB TYR A 27 -9.974 1.298 -0.042 1.00 1.21 C ATOM 461 CG TYR A 27 -10.976 1.110 -1.163 1.00 1.31 C ATOM 462 CD1 TYR A 27 -10.665 1.557 -2.461 1.00 2.41 C ATOM 463 CD2 TYR A 27 -12.216 0.502 -0.911 1.00 2.57 C ATOM 464 CE1 TYR A 27 -11.640 1.503 -3.476 1.00 2.44 C ATOM 465 CE2 TYR A 27 -13.190 0.424 -1.926 1.00 2.72 C ATOM 466 CZ TYR A 27 -12.911 0.946 -3.208 1.00 1.60 C ATOM 467 OH TYR A 27 -13.867 0.907 -4.179 1.00 1.78 O ATOM 0 H TYR A 27 -11.412 2.439 1.746 1.00 0.97 H new ATOM 0 HA TYR A 27 -8.717 2.810 0.733 1.00 1.06 H new ATOM 0 HB2 TYR A 27 -9.010 0.915 -0.378 1.00 1.21 H new ATOM 0 HB3 TYR A 27 -10.285 0.681 0.801 1.00 1.21 H new ATOM 0 HD1 TYR A 27 -9.679 1.941 -2.678 1.00 2.41 H new ATOM 0 HD2 TYR A 27 -12.424 0.092 0.066 1.00 2.57 H new ATOM 0 HE1 TYR A 27 -11.416 1.888 -4.460 1.00 2.44 H new ATOM 0 HE2 TYR A 27 -14.147 -0.034 -1.724 1.00 2.72 H new ATOM 0 HH TYR A 27 -14.679 0.490 -3.822 1.00 1.78 H new ATOM 477 N HIS A 28 -11.216 4.373 -0.702 1.00 0.99 N ATOM 478 CA HIS A 28 -11.567 5.411 -1.665 1.00 0.99 C ATOM 479 C HIS A 28 -10.751 6.690 -1.450 1.00 0.92 C ATOM 480 O HIS A 28 -10.190 7.198 -2.415 1.00 0.94 O ATOM 481 CB HIS A 28 -13.076 5.693 -1.610 1.00 1.05 C ATOM 482 CG HIS A 28 -13.622 6.626 -2.664 1.00 1.13 C ATOM 483 ND1 HIS A 28 -14.668 7.508 -2.491 1.00 1.28 N ATOM 484 CD2 HIS A 28 -13.260 6.696 -3.984 1.00 1.15 C ATOM 485 CE1 HIS A 28 -14.927 8.090 -3.674 1.00 1.37 C ATOM 486 NE2 HIS A 28 -14.090 7.629 -4.622 1.00 1.30 N ATOM 0 H HIS A 28 -11.989 4.106 -0.093 1.00 0.99 H new ATOM 0 HA HIS A 28 -11.318 5.046 -2.661 1.00 0.99 H new ATOM 0 HB2 HIS A 28 -13.604 4.743 -1.688 1.00 1.05 H new ATOM 0 HB3 HIS A 28 -13.311 6.109 -0.630 1.00 1.05 H new ATOM 0 HD2 HIS A 28 -12.470 6.129 -4.453 1.00 1.15 H new ATOM 0 HE1 HIS A 28 -15.700 8.826 -3.841 1.00 1.37 H new ATOM 0 HE2 HIS A 28 -14.065 7.903 -5.604 1.00 1.30 H new ATOM 494 N GLU A 29 -10.643 7.212 -0.219 1.00 0.90 N ATOM 495 CA GLU A 29 -9.926 8.477 0.009 1.00 0.95 C ATOM 496 C GLU A 29 -8.432 8.379 -0.347 1.00 0.90 C ATOM 497 O GLU A 29 -7.863 9.305 -0.930 1.00 0.91 O ATOM 498 CB GLU A 29 -10.128 8.989 1.443 1.00 1.06 C ATOM 499 CG GLU A 29 -9.950 10.520 1.520 1.00 1.58 C ATOM 500 CD GLU A 29 -8.974 10.976 2.617 1.00 1.31 C ATOM 501 OE1 GLU A 29 -7.782 10.596 2.564 1.00 2.77 O ATOM 502 OE2 GLU A 29 -9.394 11.766 3.496 1.00 2.03 O ATOM 0 H GLU A 29 -11.035 6.787 0.621 1.00 0.90 H new ATOM 0 HA GLU A 29 -10.363 9.209 -0.670 1.00 0.95 H new ATOM 0 HB2 GLU A 29 -11.125 8.718 1.791 1.00 1.06 H new ATOM 0 HB3 GLU A 29 -9.415 8.503 2.109 1.00 1.06 H new ATOM 0 HG2 GLU A 29 -9.595 10.884 0.556 1.00 1.58 H new ATOM 0 HG3 GLU A 29 -10.922 10.981 1.696 1.00 1.58 H new ATOM 509 N ILE A 30 -7.801 7.232 -0.072 1.00 0.91 N ATOM 510 CA ILE A 30 -6.403 6.990 -0.479 1.00 0.99 C ATOM 511 C ILE A 30 -6.267 6.816 -1.999 1.00 1.05 C ATOM 512 O ILE A 30 -5.233 7.201 -2.545 1.00 1.07 O ATOM 513 CB ILE A 30 -5.727 5.856 0.321 1.00 1.07 C ATOM 514 CG1 ILE A 30 -6.395 4.490 0.092 1.00 1.09 C ATOM 515 CG2 ILE A 30 -5.715 6.230 1.813 1.00 1.04 C ATOM 516 CD1 ILE A 30 -5.726 3.322 0.815 1.00 1.20 C ATOM 0 H ILE A 30 -8.231 6.455 0.430 1.00 0.91 H new ATOM 0 HA ILE A 30 -5.848 7.892 -0.221 1.00 0.99 H new ATOM 0 HB ILE A 30 -4.703 5.750 -0.038 1.00 1.07 H new ATOM 0 HG12 ILE A 30 -7.435 4.551 0.414 1.00 1.09 H new ATOM 0 HG13 ILE A 30 -6.404 4.280 -0.978 1.00 1.09 H new ATOM 0 HG21 ILE A 30 -5.239 5.433 2.384 1.00 1.04 H new ATOM 0 HG22 ILE A 30 -5.159 7.157 1.951 1.00 1.04 H new ATOM 0 HG23 ILE A 30 -6.739 6.365 2.163 1.00 1.04 H new ATOM 0 HD11 ILE A 30 -6.265 2.401 0.595 1.00 1.20 H new ATOM 0 HD12 ILE A 30 -4.694 3.228 0.477 1.00 1.20 H new ATOM 0 HD13 ILE A 30 -5.741 3.503 1.890 1.00 1.20 H new ATOM 528 N GLU A 31 -7.294 6.307 -2.700 1.00 1.09 N ATOM 529 CA GLU A 31 -7.303 6.336 -4.166 1.00 1.17 C ATOM 530 C GLU A 31 -7.516 7.758 -4.697 1.00 1.04 C ATOM 531 O GLU A 31 -6.804 8.166 -5.607 1.00 1.02 O ATOM 532 CB GLU A 31 -8.232 5.286 -4.815 1.00 1.36 C ATOM 533 CG GLU A 31 -9.658 5.653 -5.264 1.00 1.93 C ATOM 534 CD GLU A 31 -10.043 4.889 -6.546 1.00 2.32 C ATOM 535 OE1 GLU A 31 -9.738 5.389 -7.656 1.00 3.09 O ATOM 536 OE2 GLU A 31 -10.638 3.790 -6.453 1.00 2.82 O ATOM 0 H GLU A 31 -8.117 5.876 -2.279 1.00 1.09 H new ATOM 0 HA GLU A 31 -6.307 6.026 -4.482 1.00 1.17 H new ATOM 0 HB2 GLU A 31 -7.712 4.899 -5.691 1.00 1.36 H new ATOM 0 HB3 GLU A 31 -8.323 4.461 -4.108 1.00 1.36 H new ATOM 0 HG2 GLU A 31 -10.366 5.418 -4.469 1.00 1.93 H new ATOM 0 HG3 GLU A 31 -9.723 6.726 -5.442 1.00 1.93 H new ATOM 543 N LEU A 32 -8.414 8.555 -4.105 1.00 0.99 N ATOM 544 CA LEU A 32 -8.635 9.951 -4.487 1.00 0.96 C ATOM 545 C LEU A 32 -7.355 10.776 -4.322 1.00 0.86 C ATOM 546 O LEU A 32 -7.051 11.589 -5.191 1.00 0.87 O ATOM 547 CB LEU A 32 -9.803 10.548 -3.676 1.00 0.98 C ATOM 548 CG LEU A 32 -11.200 10.011 -4.057 1.00 0.98 C ATOM 549 CD1 LEU A 32 -12.235 10.568 -3.069 1.00 1.02 C ATOM 550 CD2 LEU A 32 -11.593 10.398 -5.492 1.00 1.06 C ATOM 0 H LEU A 32 -9.012 8.244 -3.340 1.00 0.99 H new ATOM 0 HA LEU A 32 -8.905 9.984 -5.542 1.00 0.96 H new ATOM 0 HB2 LEU A 32 -9.630 10.351 -2.618 1.00 0.98 H new ATOM 0 HB3 LEU A 32 -9.799 11.631 -3.803 1.00 0.98 H new ATOM 0 HG LEU A 32 -11.172 8.922 -4.008 1.00 0.98 H new ATOM 0 HD11 LEU A 32 -13.225 10.194 -3.330 1.00 1.02 H new ATOM 0 HD12 LEU A 32 -11.982 10.249 -2.058 1.00 1.02 H new ATOM 0 HD13 LEU A 32 -12.234 11.657 -3.117 1.00 1.02 H new ATOM 0 HD21 LEU A 32 -12.582 10.000 -5.718 1.00 1.06 H new ATOM 0 HD22 LEU A 32 -11.609 11.484 -5.585 1.00 1.06 H new ATOM 0 HD23 LEU A 32 -10.867 9.985 -6.192 1.00 1.06 H new ATOM 562 N GLN A 33 -6.565 10.532 -3.273 1.00 0.81 N ATOM 563 CA GLN A 33 -5.270 11.184 -3.088 1.00 0.76 C ATOM 564 C GLN A 33 -4.247 10.787 -4.173 1.00 0.76 C ATOM 565 O GLN A 33 -3.469 11.637 -4.597 1.00 0.81 O ATOM 566 CB GLN A 33 -4.755 10.882 -1.667 1.00 0.78 C ATOM 567 CG GLN A 33 -3.403 11.527 -1.308 1.00 0.90 C ATOM 568 CD GLN A 33 -3.393 13.058 -1.403 1.00 1.89 C ATOM 569 OE1 GLN A 33 -3.536 13.771 -0.419 1.00 2.44 O ATOM 570 NE2 GLN A 33 -3.217 13.625 -2.578 1.00 3.17 N ATOM 0 H GLN A 33 -6.807 9.877 -2.530 1.00 0.81 H new ATOM 0 HA GLN A 33 -5.403 12.260 -3.198 1.00 0.76 H new ATOM 0 HB2 GLN A 33 -5.502 11.218 -0.948 1.00 0.78 H new ATOM 0 HB3 GLN A 33 -4.666 9.802 -1.552 1.00 0.78 H new ATOM 0 HG2 GLN A 33 -3.132 11.235 -0.293 1.00 0.90 H new ATOM 0 HG3 GLN A 33 -2.635 11.128 -1.971 1.00 0.90 H new ATOM 0 HE21 GLN A 33 -3.096 13.047 -3.410 1.00 3.17 H new ATOM 0 HE22 GLN A 33 -3.202 14.642 -2.656 1.00 3.17 H new ATOM 579 N ALA A 34 -4.256 9.541 -4.658 1.00 0.75 N ATOM 580 CA ALA A 34 -3.398 9.098 -5.767 1.00 0.72 C ATOM 581 C ALA A 34 -3.872 9.656 -7.125 1.00 0.72 C ATOM 582 O ALA A 34 -3.066 10.119 -7.941 1.00 0.71 O ATOM 583 CB ALA A 34 -3.391 7.561 -5.756 1.00 0.75 C ATOM 0 H ALA A 34 -4.861 8.806 -4.292 1.00 0.75 H new ATOM 0 HA ALA A 34 -2.387 9.482 -5.631 1.00 0.72 H new ATOM 0 HB1 ALA A 34 -2.763 7.194 -6.568 1.00 0.75 H new ATOM 0 HB2 ALA A 34 -2.998 7.206 -4.804 1.00 0.75 H new ATOM 0 HB3 ALA A 34 -4.408 7.192 -5.889 1.00 0.75 H new ATOM 589 N GLN A 35 -5.185 9.638 -7.358 1.00 0.76 N ATOM 590 CA GLN A 35 -5.861 10.133 -8.560 1.00 0.80 C ATOM 591 C GLN A 35 -5.699 11.655 -8.703 1.00 0.82 C ATOM 592 O GLN A 35 -5.534 12.155 -9.817 1.00 0.84 O ATOM 593 CB GLN A 35 -7.351 9.742 -8.480 1.00 0.84 C ATOM 594 CG GLN A 35 -7.610 8.219 -8.515 1.00 0.92 C ATOM 595 CD GLN A 35 -7.843 7.634 -9.908 1.00 1.70 C ATOM 596 OE1 GLN A 35 -7.339 8.109 -10.920 1.00 2.41 O ATOM 597 NE2 GLN A 35 -8.613 6.569 -10.010 1.00 2.13 N ATOM 0 H GLN A 35 -5.842 9.257 -6.677 1.00 0.76 H new ATOM 0 HA GLN A 35 -5.409 9.681 -9.443 1.00 0.80 H new ATOM 0 HB2 GLN A 35 -7.773 10.150 -7.561 1.00 0.84 H new ATOM 0 HB3 GLN A 35 -7.882 10.209 -9.310 1.00 0.84 H new ATOM 0 HG2 GLN A 35 -6.759 7.711 -8.062 1.00 0.92 H new ATOM 0 HG3 GLN A 35 -8.479 7.999 -7.895 1.00 0.92 H new ATOM 0 HE21 GLN A 35 -9.038 6.165 -9.175 1.00 2.13 H new ATOM 0 HE22 GLN A 35 -8.784 6.149 -10.924 1.00 2.13 H new ATOM 606 N GLN A 36 -5.689 12.398 -7.583 1.00 0.82 N ATOM 607 CA GLN A 36 -5.456 13.844 -7.540 1.00 0.86 C ATOM 608 C GLN A 36 -4.076 14.252 -8.072 1.00 0.83 C ATOM 609 O GLN A 36 -3.907 15.395 -8.497 1.00 0.86 O ATOM 610 CB GLN A 36 -5.576 14.344 -6.083 1.00 0.91 C ATOM 611 CG GLN A 36 -6.981 14.853 -5.715 1.00 1.20 C ATOM 612 CD GLN A 36 -7.414 16.157 -6.409 1.00 1.58 C ATOM 613 OE1 GLN A 36 -8.557 16.584 -6.297 1.00 1.87 O ATOM 614 NE2 GLN A 36 -6.561 16.854 -7.142 1.00 2.45 N ATOM 0 H GLN A 36 -5.848 11.994 -6.660 1.00 0.82 H new ATOM 0 HA GLN A 36 -6.210 14.296 -8.185 1.00 0.86 H new ATOM 0 HB2 GLN A 36 -5.305 13.533 -5.407 1.00 0.91 H new ATOM 0 HB3 GLN A 36 -4.856 15.146 -5.924 1.00 0.91 H new ATOM 0 HG2 GLN A 36 -7.705 14.075 -5.956 1.00 1.20 H new ATOM 0 HG3 GLN A 36 -7.023 15.004 -4.636 1.00 1.20 H new ATOM 0 HE21 GLN A 36 -5.601 16.528 -7.256 1.00 2.45 H new ATOM 0 HE22 GLN A 36 -6.863 17.718 -7.593 1.00 2.45 H new ATOM 623 N LEU A 37 -3.090 13.350 -7.998 1.00 0.78 N ATOM 624 CA LEU A 37 -1.694 13.622 -8.338 1.00 0.69 C ATOM 625 C LEU A 37 -1.256 13.016 -9.683 1.00 0.67 C ATOM 626 O LEU A 37 -0.109 13.228 -10.076 1.00 0.71 O ATOM 627 CB LEU A 37 -0.821 13.104 -7.181 1.00 0.67 C ATOM 628 CG LEU A 37 -1.112 13.738 -5.805 1.00 0.77 C ATOM 629 CD1 LEU A 37 -0.294 13.007 -4.733 1.00 0.99 C ATOM 630 CD2 LEU A 37 -0.805 15.242 -5.777 1.00 1.19 C ATOM 0 H LEU A 37 -3.247 12.390 -7.693 1.00 0.78 H new ATOM 0 HA LEU A 37 -1.573 14.698 -8.467 1.00 0.69 H new ATOM 0 HB2 LEU A 37 -0.954 12.025 -7.102 1.00 0.67 H new ATOM 0 HB3 LEU A 37 0.226 13.279 -7.430 1.00 0.67 H new ATOM 0 HG LEU A 37 -2.178 13.632 -5.603 1.00 0.77 H new ATOM 0 HD11 LEU A 37 -0.495 13.450 -3.757 1.00 0.99 H new ATOM 0 HD12 LEU A 37 -0.573 11.953 -4.718 1.00 0.99 H new ATOM 0 HD13 LEU A 37 0.768 13.098 -4.961 1.00 0.99 H new ATOM 0 HD21 LEU A 37 -1.027 15.640 -4.787 1.00 1.19 H new ATOM 0 HD22 LEU A 37 0.249 15.403 -6.005 1.00 1.19 H new ATOM 0 HD23 LEU A 37 -1.419 15.753 -6.519 1.00 1.19 H new ATOM 642 N GLU A 38 -2.136 12.304 -10.397 1.00 0.73 N ATOM 643 CA GLU A 38 -1.877 11.720 -11.725 1.00 0.84 C ATOM 644 C GLU A 38 -0.789 10.622 -11.663 1.00 0.76 C ATOM 645 O GLU A 38 0.305 10.771 -12.217 1.00 1.15 O ATOM 646 CB GLU A 38 -1.593 12.820 -12.775 1.00 1.01 C ATOM 647 CG GLU A 38 -1.738 12.304 -14.214 1.00 2.27 C ATOM 648 CD GLU A 38 -1.392 13.404 -15.231 1.00 2.54 C ATOM 649 OE1 GLU A 38 -0.194 13.571 -15.566 1.00 3.45 O ATOM 650 OE2 GLU A 38 -2.319 14.098 -15.713 1.00 2.38 O ATOM 0 H GLU A 38 -3.079 12.110 -10.059 1.00 0.73 H new ATOM 0 HA GLU A 38 -2.783 11.214 -12.059 1.00 0.84 H new ATOM 0 HB2 GLU A 38 -2.278 13.653 -12.619 1.00 1.01 H new ATOM 0 HB3 GLU A 38 -0.584 13.206 -12.630 1.00 1.01 H new ATOM 0 HG2 GLU A 38 -1.083 11.446 -14.364 1.00 2.27 H new ATOM 0 HG3 GLU A 38 -2.759 11.959 -14.379 1.00 2.27 H new ATOM 657 N TYR A 39 -1.037 9.546 -10.900 1.00 0.69 N ATOM 658 CA TYR A 39 -0.060 8.456 -10.761 1.00 0.65 C ATOM 659 C TYR A 39 -0.172 7.342 -11.828 1.00 0.63 C ATOM 660 O TYR A 39 0.755 7.189 -12.624 1.00 0.65 O ATOM 661 CB TYR A 39 -0.155 7.831 -9.356 1.00 0.68 C ATOM 662 CG TYR A 39 0.505 8.539 -8.179 1.00 0.74 C ATOM 663 CD1 TYR A 39 0.798 9.920 -8.174 1.00 1.99 C ATOM 664 CD2 TYR A 39 0.892 7.753 -7.076 1.00 2.09 C ATOM 665 CE1 TYR A 39 1.474 10.497 -7.082 1.00 2.09 C ATOM 666 CE2 TYR A 39 1.559 8.322 -5.975 1.00 2.28 C ATOM 667 CZ TYR A 39 1.843 9.703 -5.975 1.00 1.33 C ATOM 668 OH TYR A 39 2.476 10.267 -4.910 1.00 1.72 O ATOM 0 H TYR A 39 -1.900 9.408 -10.373 1.00 0.69 H new ATOM 0 HA TYR A 39 0.912 8.924 -10.916 1.00 0.65 H new ATOM 0 HB2 TYR A 39 -1.213 7.717 -9.119 1.00 0.68 H new ATOM 0 HB3 TYR A 39 0.268 6.828 -9.414 1.00 0.68 H new ATOM 0 HD1 TYR A 39 0.503 10.536 -9.011 1.00 1.99 H new ATOM 0 HD2 TYR A 39 0.673 6.695 -7.075 1.00 2.09 H new ATOM 0 HE1 TYR A 39 1.711 11.551 -7.091 1.00 2.09 H new ATOM 0 HE2 TYR A 39 1.851 7.706 -5.137 1.00 2.28 H new ATOM 0 HH TYR A 39 1.828 10.429 -4.193 1.00 1.72 H new ATOM 678 N ASP A 40 -1.277 6.584 -11.832 1.00 0.64 N ATOM 679 CA ASP A 40 -1.506 5.253 -12.454 1.00 0.60 C ATOM 680 C ASP A 40 -2.539 4.474 -11.613 1.00 0.54 C ATOM 681 O ASP A 40 -3.738 4.595 -11.857 1.00 0.58 O ATOM 682 CB ASP A 40 -0.210 4.439 -12.684 1.00 0.62 C ATOM 683 CG ASP A 40 -0.451 3.005 -13.178 1.00 0.94 C ATOM 684 OD1 ASP A 40 -1.127 2.838 -14.220 1.00 1.70 O ATOM 685 OD2 ASP A 40 0.082 2.072 -12.532 1.00 1.93 O ATOM 0 H ASP A 40 -2.119 6.910 -11.357 1.00 0.64 H new ATOM 0 HA ASP A 40 -1.902 5.420 -13.456 1.00 0.60 H new ATOM 0 HB2 ASP A 40 0.411 4.963 -13.410 1.00 0.62 H new ATOM 0 HB3 ASP A 40 0.353 4.401 -11.751 1.00 0.62 H new ATOM 690 N TYR A 41 -2.084 3.718 -10.603 1.00 0.54 N ATOM 691 CA TYR A 41 -2.902 2.821 -9.769 1.00 0.51 C ATOM 692 C TYR A 41 -2.373 2.685 -8.321 1.00 0.49 C ATOM 693 O TYR A 41 -1.218 2.989 -8.016 1.00 0.49 O ATOM 694 CB TYR A 41 -2.974 1.422 -10.419 1.00 0.51 C ATOM 695 CG TYR A 41 -3.780 1.285 -11.703 1.00 0.56 C ATOM 696 CD1 TYR A 41 -5.115 1.732 -11.756 1.00 1.32 C ATOM 697 CD2 TYR A 41 -3.232 0.610 -12.815 1.00 1.68 C ATOM 698 CE1 TYR A 41 -5.891 1.534 -12.915 1.00 1.43 C ATOM 699 CE2 TYR A 41 -4.006 0.394 -13.972 1.00 1.73 C ATOM 700 CZ TYR A 41 -5.338 0.860 -14.026 1.00 0.89 C ATOM 701 OH TYR A 41 -6.094 0.633 -15.138 1.00 1.09 O ATOM 0 H TYR A 41 -1.100 3.713 -10.334 1.00 0.54 H new ATOM 0 HA TYR A 41 -3.894 3.270 -9.709 1.00 0.51 H new ATOM 0 HB2 TYR A 41 -1.955 1.094 -10.625 1.00 0.51 H new ATOM 0 HB3 TYR A 41 -3.390 0.731 -9.685 1.00 0.51 H new ATOM 0 HD1 TYR A 41 -5.547 2.231 -10.901 1.00 1.32 H new ATOM 0 HD2 TYR A 41 -2.212 0.257 -12.779 1.00 1.68 H new ATOM 0 HE1 TYR A 41 -6.907 1.897 -12.954 1.00 1.43 H new ATOM 0 HE2 TYR A 41 -3.581 -0.127 -14.817 1.00 1.73 H new ATOM 0 HH TYR A 41 -5.558 0.159 -15.807 1.00 1.09 H new ATOM 711 N TYR A 42 -3.226 2.177 -7.430 1.00 0.52 N ATOM 712 CA TYR A 42 -2.931 1.869 -6.022 1.00 0.55 C ATOM 713 C TYR A 42 -3.193 0.387 -5.702 1.00 0.51 C ATOM 714 O TYR A 42 -3.966 -0.279 -6.392 1.00 0.53 O ATOM 715 CB TYR A 42 -3.821 2.742 -5.118 1.00 0.65 C ATOM 716 CG TYR A 42 -5.290 2.369 -5.184 1.00 1.27 C ATOM 717 CD1 TYR A 42 -6.091 2.881 -6.221 1.00 2.73 C ATOM 718 CD2 TYR A 42 -5.832 1.440 -4.271 1.00 2.51 C ATOM 719 CE1 TYR A 42 -7.422 2.455 -6.360 1.00 3.59 C ATOM 720 CE2 TYR A 42 -7.160 0.997 -4.415 1.00 3.24 C ATOM 721 CZ TYR A 42 -7.959 1.503 -5.465 1.00 3.36 C ATOM 722 OH TYR A 42 -9.240 1.075 -5.611 1.00 4.42 O ATOM 0 H TYR A 42 -4.190 1.957 -7.679 1.00 0.52 H new ATOM 0 HA TYR A 42 -1.876 2.077 -5.842 1.00 0.55 H new ATOM 0 HB2 TYR A 42 -3.477 2.655 -4.087 1.00 0.65 H new ATOM 0 HB3 TYR A 42 -3.705 3.787 -5.405 1.00 0.65 H new ATOM 0 HD1 TYR A 42 -5.681 3.603 -6.912 1.00 2.73 H new ATOM 0 HD2 TYR A 42 -5.226 1.067 -3.459 1.00 2.51 H new ATOM 0 HE1 TYR A 42 -8.036 2.856 -7.153 1.00 3.59 H new ATOM 0 HE2 TYR A 42 -7.567 0.273 -3.725 1.00 3.24 H new ATOM 0 HH TYR A 42 -9.731 1.221 -4.775 1.00 4.42 H new ATOM 732 N SER A 43 -2.638 -0.109 -4.601 1.00 0.48 N ATOM 733 CA SER A 43 -3.061 -1.361 -3.970 1.00 0.41 C ATOM 734 C SER A 43 -3.060 -1.258 -2.433 1.00 0.37 C ATOM 735 O SER A 43 -2.222 -0.589 -1.819 1.00 0.36 O ATOM 736 CB SER A 43 -2.208 -2.542 -4.460 1.00 0.53 C ATOM 737 OG SER A 43 -0.831 -2.350 -4.183 1.00 1.46 O ATOM 0 H SER A 43 -1.870 0.352 -4.112 1.00 0.48 H new ATOM 0 HA SER A 43 -4.091 -1.548 -4.273 1.00 0.41 H new ATOM 0 HB2 SER A 43 -2.550 -3.460 -3.982 1.00 0.53 H new ATOM 0 HB3 SER A 43 -2.348 -2.670 -5.533 1.00 0.53 H new ATOM 0 HG SER A 43 -0.296 -2.931 -4.764 1.00 1.46 H new ATOM 743 N LEU A 44 -4.040 -1.926 -1.822 1.00 0.44 N ATOM 744 CA LEU A 44 -4.281 -2.058 -0.386 1.00 0.55 C ATOM 745 C LEU A 44 -4.298 -3.556 -0.064 1.00 0.56 C ATOM 746 O LEU A 44 -4.923 -4.334 -0.785 1.00 0.55 O ATOM 747 CB LEU A 44 -5.630 -1.381 -0.082 1.00 0.71 C ATOM 748 CG LEU A 44 -6.229 -1.658 1.312 1.00 0.87 C ATOM 749 CD1 LEU A 44 -5.395 -1.093 2.470 1.00 1.35 C ATOM 750 CD2 LEU A 44 -7.620 -1.026 1.359 1.00 1.87 C ATOM 0 H LEU A 44 -4.742 -2.429 -2.364 1.00 0.44 H new ATOM 0 HA LEU A 44 -3.513 -1.582 0.225 1.00 0.55 H new ATOM 0 HB2 LEU A 44 -5.506 -0.304 -0.194 1.00 0.71 H new ATOM 0 HB3 LEU A 44 -6.351 -1.699 -0.835 1.00 0.71 H new ATOM 0 HG LEU A 44 -6.253 -2.740 1.445 1.00 0.87 H new ATOM 0 HD11 LEU A 44 -5.881 -1.328 3.417 1.00 1.35 H new ATOM 0 HD12 LEU A 44 -4.400 -1.537 2.452 1.00 1.35 H new ATOM 0 HD13 LEU A 44 -5.311 -0.011 2.364 1.00 1.35 H new ATOM 0 HD21 LEU A 44 -8.069 -1.206 2.336 1.00 1.87 H new ATOM 0 HD22 LEU A 44 -7.538 0.048 1.190 1.00 1.87 H new ATOM 0 HD23 LEU A 44 -8.247 -1.468 0.584 1.00 1.87 H new ATOM 762 N CYS A 45 -3.640 -3.969 1.015 1.00 0.64 N ATOM 763 CA CYS A 45 -3.592 -5.362 1.457 1.00 0.61 C ATOM 764 C CYS A 45 -3.884 -5.452 2.961 1.00 0.62 C ATOM 765 O CYS A 45 -3.434 -4.607 3.736 1.00 0.72 O ATOM 766 CB CYS A 45 -2.220 -5.926 1.070 1.00 0.78 C ATOM 767 SG CYS A 45 -2.148 -7.698 1.444 1.00 1.26 S ATOM 0 H CYS A 45 -3.116 -3.335 1.618 1.00 0.64 H new ATOM 0 HA CYS A 45 -4.360 -5.963 0.971 1.00 0.61 H new ATOM 0 HB2 CYS A 45 -2.037 -5.763 0.008 1.00 0.78 H new ATOM 0 HB3 CYS A 45 -1.435 -5.399 1.613 1.00 0.78 H new ATOM 0 HG CYS A 45 -0.982 -8.165 1.110 1.00 1.26 H new ATOM 773 N VAL A 46 -4.647 -6.465 3.364 1.00 0.57 N ATOM 774 CA VAL A 46 -5.105 -6.706 4.742 1.00 0.61 C ATOM 775 C VAL A 46 -4.905 -8.191 5.052 1.00 0.64 C ATOM 776 O VAL A 46 -5.227 -9.038 4.223 1.00 0.70 O ATOM 777 CB VAL A 46 -6.593 -6.312 4.918 1.00 0.63 C ATOM 778 CG1 VAL A 46 -7.065 -6.503 6.372 1.00 1.45 C ATOM 779 CG2 VAL A 46 -6.858 -4.851 4.512 1.00 1.52 C ATOM 0 H VAL A 46 -4.982 -7.176 2.714 1.00 0.57 H new ATOM 0 HA VAL A 46 -4.528 -6.091 5.432 1.00 0.61 H new ATOM 0 HB VAL A 46 -7.153 -6.976 4.259 1.00 0.63 H new ATOM 0 HG11 VAL A 46 -8.113 -6.216 6.455 1.00 1.45 H new ATOM 0 HG12 VAL A 46 -6.951 -7.549 6.657 1.00 1.45 H new ATOM 0 HG13 VAL A 46 -6.465 -5.879 7.034 1.00 1.45 H new ATOM 0 HG21 VAL A 46 -7.914 -4.620 4.652 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -6.256 -4.186 5.131 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -6.592 -4.711 3.464 1.00 1.52 H new ATOM 789 N ARG A 47 -4.365 -8.511 6.230 1.00 0.63 N ATOM 790 CA ARG A 47 -3.959 -9.865 6.620 1.00 0.65 C ATOM 791 C ARG A 47 -4.276 -10.110 8.098 1.00 0.69 C ATOM 792 O ARG A 47 -4.090 -9.223 8.933 1.00 0.87 O ATOM 793 CB ARG A 47 -2.454 -10.018 6.328 1.00 0.81 C ATOM 794 CG ARG A 47 -1.992 -11.482 6.309 1.00 1.33 C ATOM 795 CD ARG A 47 -0.507 -11.582 5.933 1.00 1.21 C ATOM 796 NE ARG A 47 -0.133 -12.973 5.612 1.00 2.21 N ATOM 797 CZ ARG A 47 0.799 -13.724 6.191 1.00 2.86 C ATOM 798 NH1 ARG A 47 1.500 -13.314 7.229 1.00 3.30 N ATOM 799 NH2 ARG A 47 1.046 -14.926 5.717 1.00 3.76 N ATOM 0 H ARG A 47 -4.193 -7.818 6.959 1.00 0.63 H new ATOM 0 HA ARG A 47 -4.512 -10.610 6.048 1.00 0.65 H new ATOM 0 HB2 ARG A 47 -2.228 -9.559 5.366 1.00 0.81 H new ATOM 0 HB3 ARG A 47 -1.886 -9.473 7.082 1.00 0.81 H new ATOM 0 HG2 ARG A 47 -2.154 -11.932 7.289 1.00 1.33 H new ATOM 0 HG3 ARG A 47 -2.591 -12.048 5.595 1.00 1.33 H new ATOM 0 HD2 ARG A 47 -0.301 -10.940 5.076 1.00 1.21 H new ATOM 0 HD3 ARG A 47 0.106 -11.219 6.758 1.00 1.21 H new ATOM 0 HE ARG A 47 -0.653 -13.412 4.853 1.00 2.21 H new ATOM 0 HH11 ARG A 47 1.337 -12.386 7.620 1.00 3.30 H new ATOM 0 HH12 ARG A 47 2.205 -13.925 7.641 1.00 3.30 H new ATOM 0 HH21 ARG A 47 0.525 -15.274 4.912 1.00 3.76 H new ATOM 0 HH22 ARG A 47 1.759 -15.510 6.154 1.00 3.76 H new ATOM 813 N HIS A 48 -4.729 -11.316 8.442 1.00 0.78 N ATOM 814 CA HIS A 48 -5.052 -11.654 9.833 1.00 0.89 C ATOM 815 C HIS A 48 -4.462 -13.021 10.258 1.00 1.01 C ATOM 816 O HIS A 48 -4.816 -14.052 9.672 1.00 1.20 O ATOM 817 CB HIS A 48 -6.566 -11.501 10.087 1.00 1.05 C ATOM 818 CG HIS A 48 -7.500 -12.603 9.635 1.00 2.26 C ATOM 819 ND1 HIS A 48 -8.589 -13.049 10.348 1.00 3.15 N ATOM 820 CD2 HIS A 48 -7.517 -13.261 8.433 1.00 3.51 C ATOM 821 CE1 HIS A 48 -9.244 -13.952 9.600 1.00 4.45 C ATOM 822 NE2 HIS A 48 -8.624 -14.124 8.418 1.00 4.76 N ATOM 0 H HIS A 48 -4.881 -12.076 7.779 1.00 0.78 H new ATOM 0 HA HIS A 48 -4.560 -10.938 10.491 1.00 0.89 H new ATOM 0 HB2 HIS A 48 -6.708 -11.368 11.160 1.00 1.05 H new ATOM 0 HB3 HIS A 48 -6.889 -10.578 9.606 1.00 1.05 H new ATOM 0 HD1 HIS A 48 -8.854 -12.746 11.285 1.00 3.15 H new ATOM 0 HD2 HIS A 48 -6.801 -13.137 7.634 1.00 3.51 H new ATOM 0 HE1 HIS A 48 -10.143 -14.468 9.905 1.00 4.45 H new ATOM 830 N PRO A 49 -3.553 -13.052 11.258 1.00 1.06 N ATOM 831 CA PRO A 49 -3.116 -14.287 11.892 1.00 1.21 C ATOM 832 C PRO A 49 -4.150 -14.701 12.950 1.00 1.26 C ATOM 833 O PRO A 49 -4.615 -13.869 13.730 1.00 1.69 O ATOM 834 CB PRO A 49 -1.754 -13.959 12.511 1.00 1.34 C ATOM 835 CG PRO A 49 -1.876 -12.479 12.879 1.00 1.28 C ATOM 836 CD PRO A 49 -2.818 -11.916 11.814 1.00 1.08 C ATOM 0 HA PRO A 49 -3.027 -15.124 11.199 1.00 1.21 H new ATOM 0 HB2 PRO A 49 -1.553 -14.575 13.387 1.00 1.34 H new ATOM 0 HB3 PRO A 49 -0.941 -14.132 11.806 1.00 1.34 H new ATOM 0 HG2 PRO A 49 -2.282 -12.348 13.882 1.00 1.28 H new ATOM 0 HG3 PRO A 49 -0.907 -11.981 12.860 1.00 1.28 H new ATOM 0 HD2 PRO A 49 -3.503 -11.188 12.249 1.00 1.08 H new ATOM 0 HD3 PRO A 49 -2.257 -11.400 11.035 1.00 1.08 H new ATOM 844 N VAL A 50 -4.510 -15.988 12.980 1.00 1.94 N ATOM 845 CA VAL A 50 -5.496 -16.557 13.920 1.00 2.09 C ATOM 846 C VAL A 50 -5.055 -17.978 14.309 1.00 2.14 C ATOM 847 O VAL A 50 -4.616 -18.719 13.425 1.00 2.08 O ATOM 848 CB VAL A 50 -6.923 -16.629 13.321 1.00 2.07 C ATOM 849 CG1 VAL A 50 -8.000 -16.855 14.394 1.00 2.22 C ATOM 850 CG2 VAL A 50 -7.328 -15.376 12.537 1.00 2.03 C ATOM 0 H VAL A 50 -4.120 -16.681 12.342 1.00 1.94 H new ATOM 0 HA VAL A 50 -5.534 -15.898 14.788 1.00 2.09 H new ATOM 0 HB VAL A 50 -6.871 -17.479 12.641 1.00 2.07 H new ATOM 0 HG11 VAL A 50 -8.981 -16.898 13.921 1.00 2.22 H new ATOM 0 HG12 VAL A 50 -7.806 -17.794 14.912 1.00 2.22 H new ATOM 0 HG13 VAL A 50 -7.978 -16.034 15.110 1.00 2.22 H new ATOM 0 HG21 VAL A 50 -8.339 -15.501 12.148 1.00 2.03 H new ATOM 0 HG22 VAL A 50 -7.297 -14.509 13.196 1.00 2.03 H new ATOM 0 HG23 VAL A 50 -6.636 -15.226 11.708 1.00 2.03 H new ATOM 860 N PRO A 51 -5.174 -18.385 15.588 1.00 2.30 N ATOM 861 CA PRO A 51 -4.802 -19.728 16.027 1.00 2.40 C ATOM 862 C PRO A 51 -5.897 -20.773 15.750 1.00 2.43 C ATOM 863 O PRO A 51 -5.597 -21.965 15.668 1.00 2.52 O ATOM 864 CB PRO A 51 -4.492 -19.575 17.517 1.00 2.55 C ATOM 865 CG PRO A 51 -5.352 -18.400 17.978 1.00 2.56 C ATOM 866 CD PRO A 51 -5.568 -17.556 16.720 1.00 2.39 C ATOM 0 HA PRO A 51 -3.945 -20.110 15.473 1.00 2.40 H new ATOM 0 HB2 PRO A 51 -4.737 -20.484 18.067 1.00 2.55 H new ATOM 0 HB3 PRO A 51 -3.433 -19.378 17.682 1.00 2.55 H new ATOM 0 HG2 PRO A 51 -6.300 -18.742 18.392 1.00 2.56 H new ATOM 0 HG3 PRO A 51 -4.852 -17.826 18.758 1.00 2.56 H new ATOM 0 HD2 PRO A 51 -6.611 -17.251 16.632 1.00 2.39 H new ATOM 0 HD3 PRO A 51 -4.972 -16.644 16.758 1.00 2.39 H new ATOM 874 N PHE A 52 -7.151 -20.338 15.583 1.00 2.40 N ATOM 875 CA PHE A 52 -8.304 -21.190 15.265 1.00 2.48 C ATOM 876 C PHE A 52 -8.448 -21.501 13.764 1.00 2.49 C ATOM 877 O PHE A 52 -8.867 -22.608 13.416 1.00 2.98 O ATOM 878 CB PHE A 52 -9.583 -20.519 15.793 1.00 2.50 C ATOM 879 CG PHE A 52 -9.706 -20.514 17.307 1.00 2.59 C ATOM 880 CD1 PHE A 52 -9.086 -19.509 18.073 1.00 3.19 C ATOM 881 CD2 PHE A 52 -10.447 -21.525 17.953 1.00 3.31 C ATOM 882 CE1 PHE A 52 -9.208 -19.512 19.474 1.00 3.24 C ATOM 883 CE2 PHE A 52 -10.571 -21.526 19.353 1.00 3.50 C ATOM 884 CZ PHE A 52 -9.952 -20.519 20.115 1.00 2.88 C ATOM 0 H PHE A 52 -7.400 -19.352 15.668 1.00 2.40 H new ATOM 0 HA PHE A 52 -8.139 -22.150 15.754 1.00 2.48 H new ATOM 0 HB2 PHE A 52 -9.614 -19.490 15.434 1.00 2.50 H new ATOM 0 HB3 PHE A 52 -10.448 -21.030 15.371 1.00 2.50 H new ATOM 0 HD1 PHE A 52 -8.515 -18.734 17.584 1.00 3.19 H new ATOM 0 HD2 PHE A 52 -10.921 -22.301 17.370 1.00 3.31 H new ATOM 0 HE1 PHE A 52 -8.730 -18.740 20.059 1.00 3.24 H new ATOM 0 HE2 PHE A 52 -11.142 -22.300 19.844 1.00 3.50 H new ATOM 0 HZ PHE A 52 -10.048 -20.519 21.191 1.00 2.88 H new ATOM 894 N THR A 53 -8.118 -20.549 12.875 1.00 2.03 N ATOM 895 CA THR A 53 -8.285 -20.678 11.416 1.00 2.00 C ATOM 896 C THR A 53 -6.959 -21.047 10.756 1.00 2.03 C ATOM 897 O THR A 53 -5.904 -21.047 11.394 1.00 2.30 O ATOM 898 CB THR A 53 -8.880 -19.401 10.782 1.00 2.34 C ATOM 899 OG1 THR A 53 -7.911 -18.392 10.683 1.00 4.46 O ATOM 900 CG2 THR A 53 -10.103 -18.865 11.529 1.00 2.06 C ATOM 0 H THR A 53 -7.721 -19.652 13.154 1.00 2.03 H new ATOM 0 HA THR A 53 -8.999 -21.482 11.240 1.00 2.00 H new ATOM 0 HB THR A 53 -9.213 -19.693 9.786 1.00 2.34 H new ATOM 0 HG1 THR A 53 -8.310 -17.594 10.277 1.00 4.46 H new ATOM 0 HG21 THR A 53 -10.470 -17.968 11.030 1.00 2.06 H new ATOM 0 HG22 THR A 53 -10.887 -19.623 11.535 1.00 2.06 H new ATOM 0 HG23 THR A 53 -9.825 -18.622 12.555 1.00 2.06 H new ATOM 908 N ARG A 54 -7.015 -21.353 9.459 1.00 1.90 N ATOM 909 CA ARG A 54 -5.834 -21.361 8.584 1.00 1.89 C ATOM 910 C ARG A 54 -5.715 -19.942 7.993 1.00 1.66 C ATOM 911 O ARG A 54 -6.740 -19.404 7.554 1.00 1.59 O ATOM 912 CB ARG A 54 -5.945 -22.451 7.504 1.00 2.06 C ATOM 913 CG ARG A 54 -5.545 -23.863 7.988 1.00 2.43 C ATOM 914 CD ARG A 54 -6.067 -24.215 9.388 1.00 2.41 C ATOM 915 NE ARG A 54 -5.916 -25.641 9.718 1.00 2.90 N ATOM 916 CZ ARG A 54 -6.198 -26.194 10.895 1.00 3.68 C ATOM 917 NH1 ARG A 54 -6.659 -25.488 11.908 1.00 4.51 N ATOM 918 NH2 ARG A 54 -6.018 -27.485 11.071 1.00 4.12 N ATOM 0 H ARG A 54 -7.881 -21.603 8.981 1.00 1.90 H new ATOM 0 HA ARG A 54 -4.929 -21.607 9.139 1.00 1.89 H new ATOM 0 HB2 ARG A 54 -6.971 -22.481 7.138 1.00 2.06 H new ATOM 0 HB3 ARG A 54 -5.313 -22.176 6.659 1.00 2.06 H new ATOM 0 HG2 ARG A 54 -5.919 -24.599 7.276 1.00 2.43 H new ATOM 0 HG3 ARG A 54 -4.458 -23.942 7.986 1.00 2.43 H new ATOM 0 HD2 ARG A 54 -5.534 -23.618 10.129 1.00 2.41 H new ATOM 0 HD3 ARG A 54 -7.120 -23.942 9.456 1.00 2.41 H new ATOM 0 HE ARG A 54 -5.566 -26.257 8.984 1.00 2.90 H new ATOM 0 HH11 ARG A 54 -6.810 -24.485 11.803 1.00 4.51 H new ATOM 0 HH12 ARG A 54 -6.865 -25.945 12.796 1.00 4.51 H new ATOM 0 HH21 ARG A 54 -5.663 -28.059 10.306 1.00 4.12 H new ATOM 0 HH22 ARG A 54 -6.233 -27.912 11.972 1.00 4.12 H new ATOM 932 N PRO A 55 -4.522 -19.317 8.016 1.00 1.62 N ATOM 933 CA PRO A 55 -4.365 -17.870 7.889 1.00 1.43 C ATOM 934 C PRO A 55 -4.711 -17.380 6.482 1.00 1.24 C ATOM 935 O PRO A 55 -4.535 -18.103 5.501 1.00 1.29 O ATOM 936 CB PRO A 55 -2.908 -17.576 8.264 1.00 1.63 C ATOM 937 CG PRO A 55 -2.188 -18.882 7.928 1.00 1.86 C ATOM 938 CD PRO A 55 -3.234 -19.950 8.248 1.00 1.86 C ATOM 0 HA PRO A 55 -5.053 -17.337 8.545 1.00 1.43 H new ATOM 0 HB2 PRO A 55 -2.507 -16.738 7.694 1.00 1.63 H new ATOM 0 HB3 PRO A 55 -2.808 -17.321 9.319 1.00 1.63 H new ATOM 0 HG2 PRO A 55 -1.884 -18.917 6.882 1.00 1.86 H new ATOM 0 HG3 PRO A 55 -1.286 -19.010 8.526 1.00 1.86 H new ATOM 0 HD2 PRO A 55 -3.107 -20.826 7.612 1.00 1.86 H new ATOM 0 HD3 PRO A 55 -3.144 -20.290 9.280 1.00 1.86 H new ATOM 946 N LYS A 56 -5.208 -16.141 6.396 1.00 1.09 N ATOM 947 CA LYS A 56 -5.732 -15.551 5.153 1.00 0.99 C ATOM 948 C LYS A 56 -5.205 -14.128 4.896 1.00 0.77 C ATOM 949 O LYS A 56 -4.857 -13.390 5.824 1.00 0.73 O ATOM 950 CB LYS A 56 -7.279 -15.546 5.183 1.00 1.17 C ATOM 951 CG LYS A 56 -7.959 -16.920 5.316 1.00 1.77 C ATOM 952 CD LYS A 56 -7.741 -17.837 4.102 1.00 2.65 C ATOM 953 CE LYS A 56 -8.451 -19.178 4.331 1.00 3.64 C ATOM 954 NZ LYS A 56 -8.335 -20.073 3.148 1.00 5.10 N ATOM 0 H LYS A 56 -5.260 -15.510 7.196 1.00 1.09 H new ATOM 0 HA LYS A 56 -5.376 -16.173 4.331 1.00 0.99 H new ATOM 0 HB2 LYS A 56 -7.604 -14.921 6.015 1.00 1.17 H new ATOM 0 HB3 LYS A 56 -7.638 -15.073 4.269 1.00 1.17 H new ATOM 0 HG2 LYS A 56 -7.581 -17.418 6.209 1.00 1.77 H new ATOM 0 HG3 LYS A 56 -9.029 -16.773 5.462 1.00 1.77 H new ATOM 0 HD2 LYS A 56 -8.126 -17.360 3.201 1.00 2.65 H new ATOM 0 HD3 LYS A 56 -6.675 -18.001 3.945 1.00 2.65 H new ATOM 0 HE2 LYS A 56 -8.023 -19.672 5.204 1.00 3.64 H new ATOM 0 HE3 LYS A 56 -9.504 -18.999 4.550 1.00 3.64 H new ATOM 0 HZ1 LYS A 56 -8.827 -20.969 3.341 1.00 5.10 H new ATOM 0 HZ2 LYS A 56 -8.766 -19.613 2.321 1.00 5.10 H new ATOM 0 HZ3 LYS A 56 -7.331 -20.264 2.954 1.00 5.10 H new ATOM 968 N VAL A 57 -5.203 -13.740 3.618 1.00 0.72 N ATOM 969 CA VAL A 57 -4.855 -12.404 3.112 1.00 0.64 C ATOM 970 C VAL A 57 -5.905 -11.953 2.089 1.00 0.59 C ATOM 971 O VAL A 57 -6.364 -12.747 1.268 1.00 0.69 O ATOM 972 CB VAL A 57 -3.419 -12.371 2.531 1.00 0.86 C ATOM 973 CG1 VAL A 57 -3.232 -13.238 1.275 1.00 1.52 C ATOM 974 CG2 VAL A 57 -2.964 -10.937 2.228 1.00 2.19 C ATOM 0 H VAL A 57 -5.457 -14.381 2.866 1.00 0.72 H new ATOM 0 HA VAL A 57 -4.862 -11.698 3.942 1.00 0.64 H new ATOM 0 HB VAL A 57 -2.795 -12.799 3.315 1.00 0.86 H new ATOM 0 HG11 VAL A 57 -2.201 -13.161 0.930 1.00 1.52 H new ATOM 0 HG12 VAL A 57 -3.458 -14.277 1.513 1.00 1.52 H new ATOM 0 HG13 VAL A 57 -3.904 -12.891 0.490 1.00 1.52 H new ATOM 0 HG21 VAL A 57 -1.953 -10.954 1.822 1.00 2.19 H new ATOM 0 HG22 VAL A 57 -3.639 -10.487 1.500 1.00 2.19 H new ATOM 0 HG23 VAL A 57 -2.977 -10.350 3.146 1.00 2.19 H new ATOM 984 N ALA A 58 -6.281 -10.678 2.158 1.00 0.50 N ATOM 985 CA ALA A 58 -7.167 -9.991 1.224 1.00 0.48 C ATOM 986 C ALA A 58 -6.436 -8.791 0.601 1.00 0.44 C ATOM 987 O ALA A 58 -5.771 -8.024 1.305 1.00 0.45 O ATOM 988 CB ALA A 58 -8.427 -9.552 1.982 1.00 0.53 C ATOM 0 H ALA A 58 -5.958 -10.065 2.907 1.00 0.50 H new ATOM 0 HA ALA A 58 -7.459 -10.656 0.411 1.00 0.48 H new ATOM 0 HB1 ALA A 58 -9.101 -9.036 1.299 1.00 0.53 H new ATOM 0 HB2 ALA A 58 -8.928 -10.428 2.394 1.00 0.53 H new ATOM 0 HB3 ALA A 58 -8.148 -8.879 2.793 1.00 0.53 H new ATOM 994 N PHE A 59 -6.576 -8.632 -0.716 1.00 0.58 N ATOM 995 CA PHE A 59 -5.951 -7.575 -1.509 1.00 0.55 C ATOM 996 C PHE A 59 -6.992 -6.860 -2.387 1.00 0.54 C ATOM 997 O PHE A 59 -7.906 -7.480 -2.932 1.00 0.60 O ATOM 998 CB PHE A 59 -4.769 -8.150 -2.317 1.00 0.57 C ATOM 999 CG PHE A 59 -5.006 -9.492 -3.001 1.00 0.62 C ATOM 1000 CD1 PHE A 59 -5.807 -9.576 -4.157 1.00 1.55 C ATOM 1001 CD2 PHE A 59 -4.432 -10.670 -2.475 1.00 2.16 C ATOM 1002 CE1 PHE A 59 -6.062 -10.823 -4.757 1.00 1.57 C ATOM 1003 CE2 PHE A 59 -4.694 -11.917 -3.071 1.00 2.20 C ATOM 1004 CZ PHE A 59 -5.512 -11.994 -4.211 1.00 0.80 C ATOM 0 H PHE A 59 -7.149 -9.260 -1.280 1.00 0.58 H new ATOM 0 HA PHE A 59 -5.543 -6.814 -0.843 1.00 0.55 H new ATOM 0 HB2 PHE A 59 -4.490 -7.422 -3.079 1.00 0.57 H new ATOM 0 HB3 PHE A 59 -3.915 -8.254 -1.647 1.00 0.57 H new ATOM 0 HD1 PHE A 59 -6.228 -8.678 -4.585 1.00 1.55 H new ATOM 0 HD2 PHE A 59 -3.788 -10.613 -1.610 1.00 2.16 H new ATOM 0 HE1 PHE A 59 -6.682 -10.880 -5.639 1.00 1.57 H new ATOM 0 HE2 PHE A 59 -4.266 -12.816 -2.652 1.00 2.20 H new ATOM 0 HZ PHE A 59 -5.717 -12.952 -4.666 1.00 0.80 H new ATOM 1014 N TYR A 60 -6.844 -5.540 -2.513 1.00 0.50 N ATOM 1015 CA TYR A 60 -7.757 -4.627 -3.212 1.00 0.52 C ATOM 1016 C TYR A 60 -6.967 -3.637 -4.084 1.00 0.49 C ATOM 1017 O TYR A 60 -5.930 -3.119 -3.656 1.00 0.49 O ATOM 1018 CB TYR A 60 -8.603 -3.862 -2.180 1.00 0.58 C ATOM 1019 CG TYR A 60 -9.354 -4.752 -1.210 1.00 0.61 C ATOM 1020 CD1 TYR A 60 -10.381 -5.591 -1.683 1.00 1.61 C ATOM 1021 CD2 TYR A 60 -9.003 -4.775 0.155 1.00 1.80 C ATOM 1022 CE1 TYR A 60 -11.051 -6.458 -0.801 1.00 1.61 C ATOM 1023 CE2 TYR A 60 -9.677 -5.632 1.047 1.00 1.83 C ATOM 1024 CZ TYR A 60 -10.706 -6.477 0.571 1.00 0.66 C ATOM 1025 OH TYR A 60 -11.357 -7.306 1.434 1.00 0.70 O ATOM 0 H TYR A 60 -6.044 -5.052 -2.111 1.00 0.50 H new ATOM 0 HA TYR A 60 -8.412 -5.208 -3.861 1.00 0.52 H new ATOM 0 HB2 TYR A 60 -7.951 -3.196 -1.615 1.00 0.58 H new ATOM 0 HB3 TYR A 60 -9.320 -3.234 -2.709 1.00 0.58 H new ATOM 0 HD1 TYR A 60 -10.655 -5.569 -2.727 1.00 1.61 H new ATOM 0 HD2 TYR A 60 -8.214 -4.133 0.518 1.00 1.80 H new ATOM 0 HE1 TYR A 60 -11.829 -7.109 -1.171 1.00 1.61 H new ATOM 0 HE2 TYR A 60 -9.408 -5.644 2.093 1.00 1.83 H new ATOM 0 HH TYR A 60 -10.992 -7.191 2.336 1.00 0.70 H new ATOM 1035 N THR A 61 -7.445 -3.370 -5.306 1.00 0.49 N ATOM 1036 CA THR A 61 -6.749 -2.564 -6.324 1.00 0.47 C ATOM 1037 C THR A 61 -7.661 -2.257 -7.510 1.00 0.54 C ATOM 1038 O THR A 61 -8.594 -3.011 -7.794 1.00 0.62 O ATOM 1039 CB THR A 61 -5.432 -3.240 -6.748 1.00 0.46 C ATOM 1040 OG1 THR A 61 -4.819 -2.449 -7.728 1.00 0.76 O ATOM 1041 CG2 THR A 61 -5.590 -4.649 -7.320 1.00 0.60 C ATOM 0 H THR A 61 -8.350 -3.716 -5.625 1.00 0.49 H new ATOM 0 HA THR A 61 -6.487 -1.603 -5.882 1.00 0.47 H new ATOM 0 HB THR A 61 -4.839 -3.334 -5.838 1.00 0.46 H new ATOM 0 HG1 THR A 61 -4.373 -3.026 -8.383 1.00 0.76 H new ATOM 0 HG21 THR A 61 -4.611 -5.044 -7.590 1.00 0.60 H new ATOM 0 HG22 THR A 61 -6.048 -5.296 -6.572 1.00 0.60 H new ATOM 0 HG23 THR A 61 -6.224 -4.613 -8.206 1.00 0.60 H new ATOM 1049 N ASN A 62 -7.375 -1.157 -8.210 1.00 0.56 N ATOM 1050 CA ASN A 62 -8.022 -0.768 -9.471 1.00 0.66 C ATOM 1051 C ASN A 62 -7.214 -1.244 -10.708 1.00 0.62 C ATOM 1052 O ASN A 62 -7.486 -0.832 -11.835 1.00 0.68 O ATOM 1053 CB ASN A 62 -8.286 0.751 -9.437 1.00 0.78 C ATOM 1054 CG ASN A 62 -9.529 1.199 -10.215 1.00 1.47 C ATOM 1055 OD1 ASN A 62 -10.301 2.122 -9.665 1.00 2.15 O flip ATOM 1056 ND2 ASN A 62 -9.841 0.731 -11.303 1.00 2.09 N flip ATOM 0 H ASN A 62 -6.665 -0.490 -7.908 1.00 0.56 H new ATOM 0 HA ASN A 62 -8.983 -1.272 -9.572 1.00 0.66 H new ATOM 0 HB2 ASN A 62 -8.390 1.065 -8.399 1.00 0.78 H new ATOM 0 HB3 ASN A 62 -7.415 1.267 -9.841 1.00 0.78 H new ATOM 0 HD21 ASN A 62 -9.255 0.019 -11.739 1.00 2.09 H new ATOM 0 HD22 ASN A 62 -10.687 1.054 -11.773 1.00 2.09 H new ATOM 1063 N TYR A 63 -6.230 -2.140 -10.526 1.00 0.57 N ATOM 1064 CA TYR A 63 -5.483 -2.777 -11.622 1.00 0.60 C ATOM 1065 C TYR A 63 -6.420 -3.433 -12.668 1.00 0.66 C ATOM 1066 O TYR A 63 -7.499 -3.922 -12.302 1.00 0.69 O ATOM 1067 CB TYR A 63 -4.594 -3.896 -11.056 1.00 0.59 C ATOM 1068 CG TYR A 63 -3.371 -3.565 -10.225 1.00 0.62 C ATOM 1069 CD1 TYR A 63 -2.822 -2.268 -10.156 1.00 1.58 C ATOM 1070 CD2 TYR A 63 -2.776 -4.616 -9.501 1.00 2.29 C ATOM 1071 CE1 TYR A 63 -1.715 -2.013 -9.322 1.00 1.56 C ATOM 1072 CE2 TYR A 63 -1.666 -4.369 -8.675 1.00 2.37 C ATOM 1073 CZ TYR A 63 -1.134 -3.064 -8.576 1.00 0.81 C ATOM 1074 OH TYR A 63 -0.062 -2.828 -7.769 1.00 0.96 O ATOM 0 H TYR A 63 -5.927 -2.446 -9.601 1.00 0.57 H new ATOM 0 HA TYR A 63 -4.899 -1.991 -12.101 1.00 0.60 H new ATOM 0 HB2 TYR A 63 -5.232 -4.536 -10.447 1.00 0.59 H new ATOM 0 HB3 TYR A 63 -4.255 -4.495 -11.901 1.00 0.59 H new ATOM 0 HD1 TYR A 63 -3.250 -1.469 -10.743 1.00 1.58 H new ATOM 0 HD2 TYR A 63 -3.174 -5.617 -9.581 1.00 2.29 H new ATOM 0 HE1 TYR A 63 -1.310 -1.014 -9.253 1.00 1.56 H new ATOM 0 HE2 TYR A 63 -1.219 -5.178 -8.115 1.00 2.37 H new ATOM 0 HH TYR A 63 0.207 -3.662 -7.331 1.00 0.96 H new ATOM 1084 N PRO A 64 -6.010 -3.496 -13.953 1.00 0.72 N ATOM 1085 CA PRO A 64 -6.796 -4.116 -15.011 1.00 0.81 C ATOM 1086 C PRO A 64 -6.949 -5.620 -14.757 1.00 0.81 C ATOM 1087 O PRO A 64 -6.038 -6.263 -14.232 1.00 0.78 O ATOM 1088 CB PRO A 64 -6.063 -3.822 -16.326 1.00 0.91 C ATOM 1089 CG PRO A 64 -4.630 -3.512 -15.898 1.00 0.87 C ATOM 1090 CD PRO A 64 -4.795 -2.922 -14.504 1.00 0.74 C ATOM 0 HA PRO A 64 -7.809 -3.715 -15.049 1.00 0.81 H new ATOM 0 HB2 PRO A 64 -6.100 -4.676 -17.002 1.00 0.91 H new ATOM 0 HB3 PRO A 64 -6.512 -2.980 -16.852 1.00 0.91 H new ATOM 0 HG2 PRO A 64 -4.012 -4.410 -15.883 1.00 0.87 H new ATOM 0 HG3 PRO A 64 -4.152 -2.807 -16.578 1.00 0.87 H new ATOM 0 HD2 PRO A 64 -3.935 -3.160 -13.878 1.00 0.74 H new ATOM 0 HD3 PRO A 64 -4.865 -1.835 -14.549 1.00 0.74 H new ATOM 1098 N GLU A 65 -8.088 -6.201 -15.150 1.00 0.85 N ATOM 1099 CA GLU A 65 -8.392 -7.613 -14.893 1.00 0.86 C ATOM 1100 C GLU A 65 -7.366 -8.570 -15.528 1.00 0.88 C ATOM 1101 O GLU A 65 -7.109 -9.641 -14.986 1.00 0.86 O ATOM 1102 CB GLU A 65 -9.824 -7.934 -15.350 1.00 0.93 C ATOM 1103 CG GLU A 65 -9.969 -8.105 -16.867 1.00 1.03 C ATOM 1104 CD GLU A 65 -11.439 -8.283 -17.270 1.00 1.29 C ATOM 1105 OE1 GLU A 65 -11.924 -9.439 -17.317 1.00 2.46 O ATOM 1106 OE2 GLU A 65 -12.121 -7.267 -17.551 1.00 1.51 O ATOM 0 H GLU A 65 -8.824 -5.707 -15.654 1.00 0.85 H new ATOM 0 HA GLU A 65 -8.321 -7.774 -13.817 1.00 0.86 H new ATOM 0 HB2 GLU A 65 -10.155 -8.848 -14.858 1.00 0.93 H new ATOM 0 HB3 GLU A 65 -10.488 -7.135 -15.019 1.00 0.93 H new ATOM 0 HG2 GLU A 65 -9.553 -7.235 -17.375 1.00 1.03 H new ATOM 0 HG3 GLU A 65 -9.393 -8.970 -17.194 1.00 1.03 H new ATOM 1113 N ALA A 66 -6.731 -8.172 -16.636 1.00 0.91 N ATOM 1114 CA ALA A 66 -5.673 -8.936 -17.297 1.00 0.93 C ATOM 1115 C ALA A 66 -4.406 -9.041 -16.429 1.00 0.83 C ATOM 1116 O ALA A 66 -3.763 -10.090 -16.403 1.00 0.80 O ATOM 1117 CB ALA A 66 -5.385 -8.267 -18.647 1.00 1.00 C ATOM 0 H ALA A 66 -6.944 -7.292 -17.106 1.00 0.91 H new ATOM 0 HA ALA A 66 -6.005 -9.962 -17.453 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -4.598 -8.816 -19.164 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -6.290 -8.270 -19.255 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -5.062 -7.239 -18.482 1.00 1.00 H new ATOM 1123 N TRP A 67 -4.087 -7.988 -15.669 1.00 0.79 N ATOM 1124 CA TRP A 67 -2.976 -7.967 -14.714 1.00 0.67 C ATOM 1125 C TRP A 67 -3.348 -8.710 -13.425 1.00 0.62 C ATOM 1126 O TRP A 67 -2.557 -9.496 -12.908 1.00 0.58 O ATOM 1127 CB TRP A 67 -2.608 -6.506 -14.423 1.00 0.66 C ATOM 1128 CG TRP A 67 -1.447 -6.217 -13.517 1.00 0.52 C ATOM 1129 CD1 TRP A 67 -1.400 -5.137 -12.706 1.00 0.59 C ATOM 1130 CD2 TRP A 67 -0.172 -6.921 -13.308 1.00 0.50 C ATOM 1131 NE1 TRP A 67 -0.244 -5.150 -11.962 1.00 0.69 N ATOM 1132 CE2 TRP A 67 0.553 -6.219 -12.292 1.00 0.58 C ATOM 1133 CE3 TRP A 67 0.467 -8.064 -13.853 1.00 0.59 C ATOM 1134 CZ2 TRP A 67 1.812 -6.626 -11.832 1.00 0.68 C ATOM 1135 CZ3 TRP A 67 1.714 -8.500 -13.367 1.00 0.62 C ATOM 1136 CH2 TRP A 67 2.396 -7.774 -12.380 1.00 0.64 C ATOM 0 H TRP A 67 -4.605 -7.110 -15.702 1.00 0.79 H new ATOM 0 HA TRP A 67 -2.115 -8.480 -15.142 1.00 0.67 H new ATOM 0 HB2 TRP A 67 -2.410 -6.020 -15.378 1.00 0.66 H new ATOM 0 HB3 TRP A 67 -3.487 -6.023 -13.996 1.00 0.66 H new ATOM 0 HD1 TRP A 67 -2.161 -4.373 -12.650 1.00 0.59 H new ATOM 0 HE1 TRP A 67 -0.008 -4.454 -11.255 1.00 0.69 H new ATOM 0 HE3 TRP A 67 -0.011 -8.609 -14.654 1.00 0.59 H new ATOM 0 HZ2 TRP A 67 2.324 -6.063 -11.066 1.00 0.68 H new ATOM 0 HZ3 TRP A 67 2.151 -9.406 -13.760 1.00 0.62 H new ATOM 0 HH2 TRP A 67 3.369 -8.100 -12.044 1.00 0.64 H new ATOM 1147 N VAL A 68 -4.577 -8.495 -12.944 1.00 0.65 N ATOM 1148 CA VAL A 68 -5.101 -9.095 -11.704 1.00 0.63 C ATOM 1149 C VAL A 68 -5.276 -10.608 -11.849 1.00 0.70 C ATOM 1150 O VAL A 68 -4.900 -11.357 -10.947 1.00 0.69 O ATOM 1151 CB VAL A 68 -6.434 -8.426 -11.293 1.00 0.66 C ATOM 1152 CG1 VAL A 68 -7.156 -9.113 -10.127 1.00 0.67 C ATOM 1153 CG2 VAL A 68 -6.189 -6.970 -10.880 1.00 0.64 C ATOM 0 H VAL A 68 -5.251 -7.888 -13.411 1.00 0.65 H new ATOM 0 HA VAL A 68 -4.370 -8.919 -10.915 1.00 0.63 H new ATOM 0 HB VAL A 68 -7.070 -8.506 -12.175 1.00 0.66 H new ATOM 0 HG11 VAL A 68 -8.080 -8.579 -9.906 1.00 0.67 H new ATOM 0 HG12 VAL A 68 -7.389 -10.143 -10.399 1.00 0.67 H new ATOM 0 HG13 VAL A 68 -6.513 -9.107 -9.247 1.00 0.67 H new ATOM 0 HG21 VAL A 68 -7.134 -6.509 -10.593 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -5.500 -6.942 -10.035 1.00 0.64 H new ATOM 0 HG23 VAL A 68 -5.758 -6.422 -11.718 1.00 0.64 H new ATOM 1163 N SER A 69 -5.813 -11.071 -12.980 1.00 0.79 N ATOM 1164 CA SER A 69 -5.940 -12.507 -13.248 1.00 0.89 C ATOM 1165 C SER A 69 -4.565 -13.151 -13.420 1.00 0.89 C ATOM 1166 O SER A 69 -4.296 -14.159 -12.780 1.00 0.91 O ATOM 1167 CB SER A 69 -6.808 -12.759 -14.488 1.00 0.99 C ATOM 1168 OG SER A 69 -7.174 -14.130 -14.580 1.00 1.10 O ATOM 0 H SER A 69 -6.167 -10.473 -13.726 1.00 0.79 H new ATOM 0 HA SER A 69 -6.430 -12.965 -12.389 1.00 0.89 H new ATOM 0 HB2 SER A 69 -7.705 -12.141 -14.441 1.00 0.99 H new ATOM 0 HB3 SER A 69 -6.264 -12.463 -15.385 1.00 0.99 H new ATOM 0 HG SER A 69 -7.728 -14.268 -15.376 1.00 1.10 H new ATOM 1174 N TYR A 70 -3.652 -12.558 -14.197 1.00 0.87 N ATOM 1175 CA TYR A 70 -2.314 -13.113 -14.426 1.00 0.88 C ATOM 1176 C TYR A 70 -1.501 -13.251 -13.125 1.00 0.78 C ATOM 1177 O TYR A 70 -0.869 -14.284 -12.889 1.00 0.80 O ATOM 1178 CB TYR A 70 -1.602 -12.232 -15.454 1.00 0.90 C ATOM 1179 CG TYR A 70 -0.182 -12.650 -15.758 1.00 0.93 C ATOM 1180 CD1 TYR A 70 0.071 -13.852 -16.444 1.00 2.50 C ATOM 1181 CD2 TYR A 70 0.885 -11.831 -15.354 1.00 1.68 C ATOM 1182 CE1 TYR A 70 1.395 -14.224 -16.751 1.00 2.54 C ATOM 1183 CE2 TYR A 70 2.208 -12.189 -15.663 1.00 1.68 C ATOM 1184 CZ TYR A 70 2.468 -13.383 -16.375 1.00 1.01 C ATOM 1185 OH TYR A 70 3.744 -13.730 -16.702 1.00 1.06 O ATOM 0 H TYR A 70 -3.821 -11.678 -14.685 1.00 0.87 H new ATOM 0 HA TYR A 70 -2.409 -14.128 -14.812 1.00 0.88 H new ATOM 0 HB2 TYR A 70 -2.176 -12.239 -16.380 1.00 0.90 H new ATOM 0 HB3 TYR A 70 -1.595 -11.204 -15.091 1.00 0.90 H new ATOM 0 HD1 TYR A 70 -0.750 -14.490 -16.736 1.00 2.50 H new ATOM 0 HD2 TYR A 70 0.688 -10.923 -14.804 1.00 1.68 H new ATOM 0 HE1 TYR A 70 1.590 -15.150 -17.272 1.00 2.54 H new ATOM 0 HE2 TYR A 70 3.026 -11.553 -15.357 1.00 1.68 H new ATOM 0 HH TYR A 70 4.364 -13.046 -16.372 1.00 1.06 H new ATOM 1195 N TYR A 71 -1.572 -12.242 -12.249 1.00 0.68 N ATOM 1196 CA TYR A 71 -0.948 -12.261 -10.925 1.00 0.61 C ATOM 1197 C TYR A 71 -1.464 -13.411 -10.040 1.00 0.67 C ATOM 1198 O TYR A 71 -0.675 -14.084 -9.374 1.00 0.69 O ATOM 1199 CB TYR A 71 -1.166 -10.895 -10.256 1.00 0.56 C ATOM 1200 CG TYR A 71 -0.453 -10.755 -8.927 1.00 0.79 C ATOM 1201 CD1 TYR A 71 0.915 -10.430 -8.907 1.00 2.09 C ATOM 1202 CD2 TYR A 71 -1.133 -11.005 -7.718 1.00 2.26 C ATOM 1203 CE1 TYR A 71 1.613 -10.393 -7.687 1.00 2.48 C ATOM 1204 CE2 TYR A 71 -0.448 -10.916 -6.491 1.00 2.51 C ATOM 1205 CZ TYR A 71 0.931 -10.618 -6.474 1.00 1.90 C ATOM 1206 OH TYR A 71 1.608 -10.552 -5.296 1.00 2.50 O ATOM 0 H TYR A 71 -2.074 -11.376 -12.446 1.00 0.68 H new ATOM 0 HA TYR A 71 0.119 -12.444 -11.050 1.00 0.61 H new ATOM 0 HB2 TYR A 71 -0.821 -10.110 -10.929 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -2.234 -10.739 -10.105 1.00 0.56 H new ATOM 0 HD1 TYR A 71 1.430 -10.209 -9.830 1.00 2.09 H new ATOM 0 HD2 TYR A 71 -2.181 -11.265 -7.733 1.00 2.26 H new ATOM 0 HE1 TYR A 71 2.674 -10.192 -7.679 1.00 2.48 H new ATOM 0 HE2 TYR A 71 -0.978 -11.076 -5.564 1.00 2.51 H new ATOM 0 HH TYR A 71 1.855 -9.622 -5.112 1.00 2.50 H new ATOM 1216 N GLN A 72 -2.775 -13.669 -10.056 1.00 0.73 N ATOM 1217 CA GLN A 72 -3.385 -14.802 -9.357 1.00 0.80 C ATOM 1218 C GLN A 72 -3.092 -16.154 -10.038 1.00 0.88 C ATOM 1219 O GLN A 72 -2.791 -17.129 -9.353 1.00 0.93 O ATOM 1220 CB GLN A 72 -4.902 -14.561 -9.228 1.00 0.87 C ATOM 1221 CG GLN A 72 -5.238 -13.611 -8.063 1.00 0.85 C ATOM 1222 CD GLN A 72 -6.693 -13.754 -7.608 1.00 1.19 C ATOM 1223 OE1 GLN A 72 -7.000 -14.419 -6.626 1.00 1.81 O ATOM 1224 NE2 GLN A 72 -7.648 -13.165 -8.298 1.00 2.09 N ATOM 0 H GLN A 72 -3.448 -13.091 -10.559 1.00 0.73 H new ATOM 0 HA GLN A 72 -2.937 -14.865 -8.365 1.00 0.80 H new ATOM 0 HB2 GLN A 72 -5.283 -14.142 -10.159 1.00 0.87 H new ATOM 0 HB3 GLN A 72 -5.409 -15.514 -9.077 1.00 0.87 H new ATOM 0 HG2 GLN A 72 -4.574 -13.817 -7.224 1.00 0.85 H new ATOM 0 HG3 GLN A 72 -5.054 -12.581 -8.370 1.00 0.85 H new ATOM 0 HE21 GLN A 72 -7.414 -12.607 -9.119 1.00 2.09 H new ATOM 0 HE22 GLN A 72 -8.622 -13.267 -8.011 1.00 2.09 H new ATOM 1233 N ALA A 73 -3.168 -16.226 -11.369 1.00 0.90 N ATOM 1234 CA ALA A 73 -3.192 -17.469 -12.146 1.00 1.01 C ATOM 1235 C ALA A 73 -1.858 -18.228 -12.118 1.00 1.02 C ATOM 1236 O ALA A 73 -1.846 -19.459 -12.047 1.00 1.10 O ATOM 1237 CB ALA A 73 -3.600 -17.126 -13.588 1.00 1.06 C ATOM 0 H ALA A 73 -3.216 -15.393 -11.956 1.00 0.90 H new ATOM 0 HA ALA A 73 -3.917 -18.143 -11.690 1.00 1.01 H new ATOM 0 HB1 ALA A 73 -3.625 -18.037 -14.186 1.00 1.06 H new ATOM 0 HB2 ALA A 73 -4.588 -16.666 -13.587 1.00 1.06 H new ATOM 0 HB3 ALA A 73 -2.877 -16.431 -14.015 1.00 1.06 H new ATOM 1243 N LYS A 74 -0.736 -17.501 -12.149 1.00 0.99 N ATOM 1244 CA LYS A 74 0.615 -18.062 -11.981 1.00 1.05 C ATOM 1245 C LYS A 74 1.119 -17.975 -10.521 1.00 0.96 C ATOM 1246 O LYS A 74 2.263 -18.338 -10.240 1.00 0.95 O ATOM 1247 CB LYS A 74 1.587 -17.367 -12.955 1.00 1.13 C ATOM 1248 CG LYS A 74 1.133 -17.208 -14.402 1.00 1.09 C ATOM 1249 CD LYS A 74 0.769 -18.532 -15.073 1.00 1.61 C ATOM 1250 CE LYS A 74 0.595 -18.182 -16.546 1.00 2.22 C ATOM 1251 NZ LYS A 74 0.101 -19.333 -17.348 1.00 3.02 N ATOM 0 H LYS A 74 -0.738 -16.491 -12.293 1.00 0.99 H new ATOM 0 HA LYS A 74 0.569 -19.125 -12.218 1.00 1.05 H new ATOM 0 HB2 LYS A 74 1.809 -16.375 -12.560 1.00 1.13 H new ATOM 0 HB3 LYS A 74 2.522 -17.927 -12.955 1.00 1.13 H new ATOM 0 HG2 LYS A 74 0.269 -16.544 -14.433 1.00 1.09 H new ATOM 0 HG3 LYS A 74 1.926 -16.726 -14.973 1.00 1.09 H new ATOM 0 HD2 LYS A 74 1.553 -19.276 -14.932 1.00 1.61 H new ATOM 0 HD3 LYS A 74 -0.146 -18.950 -14.654 1.00 1.61 H new ATOM 0 HE2 LYS A 74 -0.104 -17.351 -16.639 1.00 2.22 H new ATOM 0 HE3 LYS A 74 1.548 -17.843 -16.951 1.00 2.22 H new ATOM 0 HZ1 LYS A 74 -0.001 -19.045 -18.342 1.00 3.02 H new ATOM 0 HZ2 LYS A 74 0.780 -20.118 -17.283 1.00 3.02 H new ATOM 0 HZ3 LYS A 74 -0.822 -19.642 -16.981 1.00 3.02 H new ATOM 1265 N ASN A 75 0.288 -17.466 -9.600 1.00 0.89 N ATOM 1266 CA ASN A 75 0.558 -17.329 -8.162 1.00 0.82 C ATOM 1267 C ASN A 75 1.786 -16.440 -7.865 1.00 0.66 C ATOM 1268 O ASN A 75 2.677 -16.818 -7.101 1.00 0.65 O ATOM 1269 CB ASN A 75 0.618 -18.706 -7.476 1.00 1.00 C ATOM 1270 CG ASN A 75 -0.636 -19.542 -7.710 1.00 1.25 C ATOM 1271 OD1 ASN A 75 -0.659 -20.443 -8.543 1.00 1.79 O ATOM 1272 ND2 ASN A 75 -1.712 -19.272 -6.990 1.00 1.91 N ATOM 0 H ASN A 75 -0.638 -17.121 -9.851 1.00 0.89 H new ATOM 0 HA ASN A 75 -0.284 -16.795 -7.721 1.00 0.82 H new ATOM 0 HB2 ASN A 75 1.486 -19.252 -7.845 1.00 1.00 H new ATOM 0 HB3 ASN A 75 0.760 -18.566 -6.404 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -2.566 -19.814 -7.126 1.00 1.91 H new ATOM 0 HD22 ASN A 75 -1.688 -18.522 -6.299 1.00 1.91 H new ATOM 1279 N PHE A 76 1.837 -15.235 -8.448 1.00 0.60 N ATOM 1280 CA PHE A 76 2.936 -14.282 -8.261 1.00 0.53 C ATOM 1281 C PHE A 76 3.060 -13.772 -6.810 1.00 0.48 C ATOM 1282 O PHE A 76 4.121 -13.264 -6.449 1.00 0.46 O ATOM 1283 CB PHE A 76 2.772 -13.125 -9.250 1.00 0.51 C ATOM 1284 CG PHE A 76 3.342 -13.364 -10.632 1.00 0.56 C ATOM 1285 CD1 PHE A 76 4.682 -13.027 -10.893 1.00 2.03 C ATOM 1286 CD2 PHE A 76 2.539 -13.872 -11.669 1.00 2.15 C ATOM 1287 CE1 PHE A 76 5.217 -13.182 -12.183 1.00 2.00 C ATOM 1288 CE2 PHE A 76 3.076 -14.029 -12.959 1.00 2.21 C ATOM 1289 CZ PHE A 76 4.414 -13.685 -13.217 1.00 0.68 C ATOM 0 H PHE A 76 1.106 -14.891 -9.071 1.00 0.60 H new ATOM 0 HA PHE A 76 3.870 -14.807 -8.462 1.00 0.53 H new ATOM 0 HB2 PHE A 76 1.710 -12.901 -9.348 1.00 0.51 H new ATOM 0 HB3 PHE A 76 3.247 -12.239 -8.828 1.00 0.51 H new ATOM 0 HD1 PHE A 76 5.304 -12.646 -10.097 1.00 2.03 H new ATOM 0 HD2 PHE A 76 1.511 -14.141 -11.475 1.00 2.15 H new ATOM 0 HE1 PHE A 76 6.245 -12.914 -12.378 1.00 2.00 H new ATOM 0 HE2 PHE A 76 2.457 -14.416 -13.755 1.00 2.21 H new ATOM 0 HZ PHE A 76 4.823 -13.808 -14.209 1.00 0.68 H new ATOM 1299 N LEU A 77 2.057 -14.000 -5.944 1.00 0.48 N ATOM 1300 CA LEU A 77 2.191 -13.827 -4.488 1.00 0.50 C ATOM 1301 C LEU A 77 3.399 -14.590 -3.902 1.00 0.53 C ATOM 1302 O LEU A 77 3.951 -14.172 -2.885 1.00 0.61 O ATOM 1303 CB LEU A 77 0.910 -14.268 -3.742 1.00 0.60 C ATOM 1304 CG LEU A 77 -0.317 -13.337 -3.813 1.00 0.62 C ATOM 1305 CD1 LEU A 77 -1.275 -13.711 -4.953 1.00 1.34 C ATOM 1306 CD2 LEU A 77 -1.112 -13.392 -2.499 1.00 1.01 C ATOM 0 H LEU A 77 1.130 -14.310 -6.235 1.00 0.48 H new ATOM 0 HA LEU A 77 2.354 -12.760 -4.337 1.00 0.50 H new ATOM 0 HB2 LEU A 77 0.614 -15.243 -4.130 1.00 0.60 H new ATOM 0 HB3 LEU A 77 1.165 -14.407 -2.691 1.00 0.60 H new ATOM 0 HG LEU A 77 0.075 -12.336 -3.993 1.00 0.62 H new ATOM 0 HD11 LEU A 77 -2.121 -13.024 -4.957 1.00 1.34 H new ATOM 0 HD12 LEU A 77 -0.750 -13.646 -5.906 1.00 1.34 H new ATOM 0 HD13 LEU A 77 -1.635 -14.729 -4.806 1.00 1.34 H new ATOM 0 HD21 LEU A 77 -1.974 -12.729 -2.567 1.00 1.01 H new ATOM 0 HD22 LEU A 77 -1.452 -14.412 -2.322 1.00 1.01 H new ATOM 0 HD23 LEU A 77 -0.474 -13.074 -1.674 1.00 1.01 H new ATOM 1318 N ALA A 78 3.837 -15.681 -4.543 1.00 0.54 N ATOM 1319 CA ALA A 78 5.010 -16.456 -4.138 1.00 0.58 C ATOM 1320 C ALA A 78 6.354 -15.746 -4.402 1.00 0.54 C ATOM 1321 O ALA A 78 7.357 -16.109 -3.783 1.00 0.57 O ATOM 1322 CB ALA A 78 4.955 -17.796 -4.882 1.00 0.64 C ATOM 0 H ALA A 78 3.375 -16.054 -5.373 1.00 0.54 H new ATOM 0 HA ALA A 78 4.971 -16.591 -3.057 1.00 0.58 H new ATOM 0 HB1 ALA A 78 5.817 -18.402 -4.604 1.00 0.64 H new ATOM 0 HB2 ALA A 78 4.039 -18.323 -4.615 1.00 0.64 H new ATOM 0 HB3 ALA A 78 4.970 -17.616 -5.957 1.00 0.64 H new ATOM 1328 N ILE A 79 6.399 -14.769 -5.319 1.00 0.49 N ATOM 1329 CA ILE A 79 7.648 -14.127 -5.785 1.00 0.48 C ATOM 1330 C ILE A 79 7.674 -12.602 -5.586 1.00 0.46 C ATOM 1331 O ILE A 79 8.744 -11.999 -5.653 1.00 0.48 O ATOM 1332 CB ILE A 79 7.995 -14.559 -7.237 1.00 0.51 C ATOM 1333 CG1 ILE A 79 7.190 -13.876 -8.370 1.00 0.52 C ATOM 1334 CG2 ILE A 79 7.858 -16.084 -7.410 1.00 0.54 C ATOM 1335 CD1 ILE A 79 7.869 -12.615 -8.914 1.00 0.56 C ATOM 0 H ILE A 79 5.562 -14.394 -5.766 1.00 0.49 H new ATOM 0 HA ILE A 79 8.445 -14.496 -5.139 1.00 0.48 H new ATOM 0 HB ILE A 79 9.026 -14.224 -7.349 1.00 0.51 H new ATOM 0 HG12 ILE A 79 7.048 -14.585 -9.185 1.00 0.52 H new ATOM 0 HG13 ILE A 79 6.199 -13.616 -7.998 1.00 0.52 H new ATOM 0 HG21 ILE A 79 8.107 -16.358 -8.435 1.00 0.54 H new ATOM 0 HG22 ILE A 79 8.537 -16.590 -6.724 1.00 0.54 H new ATOM 0 HG23 ILE A 79 6.833 -16.384 -7.193 1.00 0.54 H new ATOM 0 HD11 ILE A 79 7.255 -12.184 -9.705 1.00 0.56 H new ATOM 0 HD12 ILE A 79 7.987 -11.889 -8.109 1.00 0.56 H new ATOM 0 HD13 ILE A 79 8.849 -12.874 -9.315 1.00 0.56 H new ATOM 1347 N ASP A 80 6.534 -11.973 -5.285 1.00 0.46 N ATOM 1348 CA ASP A 80 6.437 -10.560 -4.914 1.00 0.49 C ATOM 1349 C ASP A 80 7.006 -10.298 -3.498 1.00 0.52 C ATOM 1350 O ASP A 80 6.550 -10.937 -2.541 1.00 0.57 O ATOM 1351 CB ASP A 80 4.963 -10.125 -4.983 1.00 0.57 C ATOM 1352 CG ASP A 80 4.761 -8.749 -4.338 1.00 1.19 C ATOM 1353 OD1 ASP A 80 5.589 -7.854 -4.620 1.00 2.15 O ATOM 1354 OD2 ASP A 80 3.870 -8.593 -3.475 1.00 2.21 O ATOM 0 H ASP A 80 5.630 -12.446 -5.293 1.00 0.46 H new ATOM 0 HA ASP A 80 7.034 -9.976 -5.615 1.00 0.49 H new ATOM 0 HB2 ASP A 80 4.639 -10.093 -6.023 1.00 0.57 H new ATOM 0 HB3 ASP A 80 4.339 -10.862 -4.477 1.00 0.57 H new ATOM 1359 N PRO A 81 7.936 -9.335 -3.319 1.00 0.53 N ATOM 1360 CA PRO A 81 8.432 -8.943 -2.007 1.00 0.55 C ATOM 1361 C PRO A 81 7.536 -7.911 -1.300 1.00 0.54 C ATOM 1362 O PRO A 81 7.704 -7.705 -0.100 1.00 0.58 O ATOM 1363 CB PRO A 81 9.827 -8.372 -2.279 1.00 0.64 C ATOM 1364 CG PRO A 81 9.669 -7.714 -3.646 1.00 0.67 C ATOM 1365 CD PRO A 81 8.648 -8.598 -4.360 1.00 0.61 C ATOM 0 HA PRO A 81 8.445 -9.794 -1.326 1.00 0.55 H new ATOM 0 HB2 PRO A 81 10.124 -7.652 -1.517 1.00 0.64 H new ATOM 0 HB3 PRO A 81 10.587 -9.153 -2.293 1.00 0.64 H new ATOM 0 HG2 PRO A 81 9.316 -6.687 -3.557 1.00 0.67 H new ATOM 0 HG3 PRO A 81 10.616 -7.680 -4.185 1.00 0.67 H new ATOM 0 HD2 PRO A 81 7.957 -7.995 -4.949 1.00 0.61 H new ATOM 0 HD3 PRO A 81 9.142 -9.282 -5.050 1.00 0.61 H new ATOM 1373 N VAL A 82 6.602 -7.245 -1.995 1.00 0.56 N ATOM 1374 CA VAL A 82 5.818 -6.126 -1.438 1.00 0.66 C ATOM 1375 C VAL A 82 4.742 -6.574 -0.428 1.00 0.68 C ATOM 1376 O VAL A 82 4.333 -5.779 0.419 1.00 0.82 O ATOM 1377 CB VAL A 82 5.262 -5.266 -2.600 1.00 0.91 C ATOM 1378 CG1 VAL A 82 4.008 -4.449 -2.286 1.00 1.82 C ATOM 1379 CG2 VAL A 82 6.417 -4.415 -3.172 1.00 2.60 C ATOM 0 H VAL A 82 6.366 -7.466 -2.963 1.00 0.56 H new ATOM 0 HA VAL A 82 6.482 -5.502 -0.840 1.00 0.66 H new ATOM 0 HB VAL A 82 4.890 -5.954 -3.359 1.00 0.91 H new ATOM 0 HG11 VAL A 82 3.709 -3.887 -3.171 1.00 1.82 H new ATOM 0 HG12 VAL A 82 3.201 -5.120 -1.992 1.00 1.82 H new ATOM 0 HG13 VAL A 82 4.219 -3.757 -1.471 1.00 1.82 H new ATOM 0 HG21 VAL A 82 6.045 -3.801 -3.993 1.00 2.60 H new ATOM 0 HG22 VAL A 82 6.816 -3.770 -2.389 1.00 2.60 H new ATOM 0 HG23 VAL A 82 7.206 -5.072 -3.539 1.00 2.60 H new ATOM 1389 N LEU A 83 4.347 -7.852 -0.431 1.00 0.70 N ATOM 1390 CA LEU A 83 3.491 -8.448 0.607 1.00 0.81 C ATOM 1391 C LEU A 83 4.283 -9.125 1.743 1.00 0.86 C ATOM 1392 O LEU A 83 3.687 -9.640 2.689 1.00 0.97 O ATOM 1393 CB LEU A 83 2.480 -9.396 -0.070 1.00 0.77 C ATOM 1394 CG LEU A 83 3.042 -10.633 -0.814 1.00 0.62 C ATOM 1395 CD1 LEU A 83 3.506 -11.774 0.106 1.00 0.74 C ATOM 1396 CD2 LEU A 83 1.923 -11.180 -1.708 1.00 0.71 C ATOM 0 H LEU A 83 4.615 -8.511 -1.162 1.00 0.70 H new ATOM 0 HA LEU A 83 2.948 -7.648 1.110 1.00 0.81 H new ATOM 0 HB2 LEU A 83 1.788 -9.750 0.694 1.00 0.77 H new ATOM 0 HB3 LEU A 83 1.897 -8.812 -0.782 1.00 0.77 H new ATOM 0 HG LEU A 83 3.921 -10.299 -1.365 1.00 0.62 H new ATOM 0 HD11 LEU A 83 3.884 -12.598 -0.499 1.00 0.74 H new ATOM 0 HD12 LEU A 83 4.298 -11.413 0.763 1.00 0.74 H new ATOM 0 HD13 LEU A 83 2.666 -12.121 0.707 1.00 0.74 H new ATOM 0 HD21 LEU A 83 2.284 -12.055 -2.249 1.00 0.71 H new ATOM 0 HD22 LEU A 83 1.070 -11.462 -1.091 1.00 0.71 H new ATOM 0 HD23 LEU A 83 1.619 -10.413 -2.420 1.00 0.71 H new ATOM 1408 N ASN A 84 5.618 -9.165 1.646 1.00 0.81 N ATOM 1409 CA ASN A 84 6.478 -10.038 2.448 1.00 0.82 C ATOM 1410 C ASN A 84 7.242 -9.236 3.524 1.00 0.75 C ATOM 1411 O ASN A 84 8.195 -8.532 3.178 1.00 0.66 O ATOM 1412 CB ASN A 84 7.442 -10.742 1.476 1.00 0.85 C ATOM 1413 CG ASN A 84 8.224 -11.882 2.135 1.00 1.21 C ATOM 1414 OD1 ASN A 84 8.419 -11.925 3.354 1.00 2.16 O ATOM 1415 ND2 ASN A 84 8.676 -12.825 1.318 1.00 1.48 N ATOM 0 H ASN A 84 6.139 -8.579 0.994 1.00 0.81 H new ATOM 0 HA ASN A 84 5.881 -10.774 2.987 1.00 0.82 H new ATOM 0 HB2 ASN A 84 6.876 -11.137 0.632 1.00 0.85 H new ATOM 0 HB3 ASN A 84 8.144 -10.011 1.075 1.00 0.85 H new ATOM 0 HD21 ASN A 84 9.202 -13.615 1.692 1.00 1.48 H new ATOM 0 HD22 ASN A 84 8.498 -12.760 0.316 1.00 1.48 H new ATOM 1422 N PRO A 85 6.891 -9.351 4.823 1.00 0.82 N ATOM 1423 CA PRO A 85 7.390 -8.452 5.866 1.00 0.79 C ATOM 1424 C PRO A 85 8.894 -8.612 6.159 1.00 0.72 C ATOM 1425 O PRO A 85 9.491 -7.705 6.734 1.00 0.71 O ATOM 1426 CB PRO A 85 6.513 -8.737 7.090 1.00 0.98 C ATOM 1427 CG PRO A 85 6.127 -10.202 6.904 1.00 1.03 C ATOM 1428 CD PRO A 85 5.922 -10.280 5.393 1.00 0.97 C ATOM 0 HA PRO A 85 7.317 -7.412 5.548 1.00 0.79 H new ATOM 0 HB2 PRO A 85 7.057 -8.578 8.021 1.00 0.98 H new ATOM 0 HB3 PRO A 85 5.637 -8.089 7.118 1.00 0.98 H new ATOM 0 HG2 PRO A 85 6.911 -10.878 7.246 1.00 1.03 H new ATOM 0 HG3 PRO A 85 5.222 -10.459 7.454 1.00 1.03 H new ATOM 0 HD2 PRO A 85 6.086 -11.293 5.026 1.00 0.97 H new ATOM 0 HD3 PRO A 85 4.904 -10.003 5.120 1.00 0.97 H new ATOM 1436 N GLU A 86 9.526 -9.714 5.729 1.00 0.77 N ATOM 1437 CA GLU A 86 10.970 -9.947 5.872 1.00 0.83 C ATOM 1438 C GLU A 86 11.840 -8.960 5.063 1.00 0.76 C ATOM 1439 O GLU A 86 12.978 -8.686 5.449 1.00 0.85 O ATOM 1440 CB GLU A 86 11.307 -11.382 5.433 1.00 0.98 C ATOM 1441 CG GLU A 86 10.545 -12.483 6.187 1.00 1.29 C ATOM 1442 CD GLU A 86 10.709 -12.385 7.713 1.00 2.62 C ATOM 1443 OE1 GLU A 86 11.847 -12.539 8.217 1.00 3.60 O ATOM 1444 OE2 GLU A 86 9.692 -12.178 8.418 1.00 3.93 O ATOM 0 H GLU A 86 9.040 -10.481 5.264 1.00 0.77 H new ATOM 0 HA GLU A 86 11.203 -9.790 6.925 1.00 0.83 H new ATOM 0 HB2 GLU A 86 11.098 -11.479 4.368 1.00 0.98 H new ATOM 0 HB3 GLU A 86 12.377 -11.545 5.564 1.00 0.98 H new ATOM 0 HG2 GLU A 86 9.486 -12.423 5.936 1.00 1.29 H new ATOM 0 HG3 GLU A 86 10.898 -13.458 5.850 1.00 1.29 H new ATOM 1451 N ASN A 87 11.329 -8.411 3.952 1.00 0.66 N ATOM 1452 CA ASN A 87 12.070 -7.476 3.089 1.00 0.63 C ATOM 1453 C ASN A 87 12.179 -6.052 3.676 1.00 0.65 C ATOM 1454 O ASN A 87 13.049 -5.275 3.273 1.00 0.71 O ATOM 1455 CB ASN A 87 11.390 -7.427 1.709 1.00 0.69 C ATOM 1456 CG ASN A 87 11.616 -8.709 0.914 1.00 1.53 C ATOM 1457 OD1 ASN A 87 10.897 -9.692 1.050 1.00 3.22 O ATOM 1458 ND2 ASN A 87 12.634 -8.742 0.071 1.00 1.60 N ATOM 0 H ASN A 87 10.383 -8.604 3.623 1.00 0.66 H new ATOM 0 HA ASN A 87 13.091 -7.849 3.008 1.00 0.63 H new ATOM 0 HB2 ASN A 87 10.320 -7.264 1.838 1.00 0.69 H new ATOM 0 HB3 ASN A 87 11.776 -6.578 1.145 1.00 0.69 H new ATOM 0 HD21 ASN A 87 12.823 -9.587 -0.468 1.00 1.60 H new ATOM 0 HD22 ASN A 87 13.231 -7.922 -0.040 1.00 1.60 H new ATOM 1465 N PHE A 88 11.293 -5.696 4.610 1.00 0.65 N ATOM 1466 CA PHE A 88 11.091 -4.339 5.118 1.00 0.66 C ATOM 1467 C PHE A 88 12.089 -4.018 6.245 1.00 0.73 C ATOM 1468 O PHE A 88 11.734 -3.948 7.421 1.00 0.77 O ATOM 1469 CB PHE A 88 9.622 -4.204 5.551 1.00 0.64 C ATOM 1470 CG PHE A 88 8.616 -4.226 4.414 1.00 0.61 C ATOM 1471 CD1 PHE A 88 8.220 -5.437 3.821 1.00 1.76 C ATOM 1472 CD2 PHE A 88 8.057 -3.021 3.960 1.00 2.11 C ATOM 1473 CE1 PHE A 88 7.251 -5.457 2.798 1.00 1.72 C ATOM 1474 CE2 PHE A 88 7.052 -3.036 2.986 1.00 2.15 C ATOM 1475 CZ PHE A 88 6.651 -4.249 2.398 1.00 0.59 C ATOM 0 H PHE A 88 10.672 -6.375 5.050 1.00 0.65 H new ATOM 0 HA PHE A 88 11.288 -3.602 4.340 1.00 0.66 H new ATOM 0 HB2 PHE A 88 9.386 -5.014 6.241 1.00 0.64 H new ATOM 0 HB3 PHE A 88 9.505 -3.271 6.102 1.00 0.64 H new ATOM 0 HD1 PHE A 88 8.664 -6.364 4.153 1.00 1.76 H new ATOM 0 HD2 PHE A 88 8.403 -2.081 4.363 1.00 2.11 H new ATOM 0 HE1 PHE A 88 6.972 -6.388 2.327 1.00 1.72 H new ATOM 0 HE2 PHE A 88 6.582 -2.112 2.684 1.00 2.15 H new ATOM 0 HZ PHE A 88 5.882 -4.253 1.639 1.00 0.59 H new ATOM 1485 N SER A 89 13.358 -3.815 5.886 1.00 0.78 N ATOM 1486 CA SER A 89 14.476 -3.761 6.854 1.00 0.86 C ATOM 1487 C SER A 89 14.480 -2.482 7.713 1.00 0.88 C ATOM 1488 O SER A 89 15.008 -2.479 8.828 1.00 0.95 O ATOM 1489 CB SER A 89 15.824 -3.885 6.124 1.00 0.93 C ATOM 1490 OG SER A 89 15.973 -5.153 5.493 1.00 0.98 O ATOM 0 H SER A 89 13.649 -3.682 4.917 1.00 0.78 H new ATOM 0 HA SER A 89 14.330 -4.604 7.529 1.00 0.86 H new ATOM 0 HB2 SER A 89 15.906 -3.096 5.376 1.00 0.93 H new ATOM 0 HB3 SER A 89 16.637 -3.736 6.835 1.00 0.93 H new ATOM 0 HG SER A 89 16.840 -5.192 5.039 1.00 0.98 H new ATOM 1496 N GLN A 90 13.856 -1.407 7.219 1.00 0.83 N ATOM 1497 CA GLN A 90 13.544 -0.181 7.969 1.00 0.86 C ATOM 1498 C GLN A 90 12.021 0.097 7.959 1.00 0.77 C ATOM 1499 O GLN A 90 11.586 1.242 8.092 1.00 0.78 O ATOM 1500 CB GLN A 90 14.368 0.994 7.399 1.00 0.93 C ATOM 1501 CG GLN A 90 15.889 0.778 7.532 1.00 0.99 C ATOM 1502 CD GLN A 90 16.730 1.985 7.095 1.00 1.72 C ATOM 1503 OE1 GLN A 90 16.247 2.994 6.592 1.00 2.75 O ATOM 1504 NE2 GLN A 90 18.036 1.933 7.273 1.00 2.37 N ATOM 0 H GLN A 90 13.542 -1.363 6.250 1.00 0.83 H new ATOM 0 HA GLN A 90 13.825 -0.307 9.015 1.00 0.86 H new ATOM 0 HB2 GLN A 90 14.116 1.132 6.348 1.00 0.93 H new ATOM 0 HB3 GLN A 90 14.089 1.912 7.917 1.00 0.93 H new ATOM 0 HG2 GLN A 90 16.123 0.542 8.570 1.00 0.99 H new ATOM 0 HG3 GLN A 90 16.177 -0.088 6.935 1.00 0.99 H new ATOM 0 HE21 GLN A 90 18.461 1.105 7.689 1.00 2.37 H new ATOM 0 HE22 GLN A 90 18.620 2.721 6.994 1.00 2.37 H new ATOM 1513 N GLY A 91 11.197 -0.946 7.758 1.00 0.72 N ATOM 1514 CA GLY A 91 9.728 -0.864 7.718 1.00 0.68 C ATOM 1515 C GLY A 91 9.149 -0.343 6.397 1.00 0.60 C ATOM 1516 O GLY A 91 7.951 -0.098 6.308 1.00 0.63 O ATOM 0 H GLY A 91 11.544 -1.894 7.615 1.00 0.72 H new ATOM 0 HA2 GLY A 91 9.317 -1.855 7.913 1.00 0.68 H new ATOM 0 HA3 GLY A 91 9.392 -0.215 8.527 1.00 0.68 H new ATOM 1520 N HIS A 92 9.969 -0.158 5.361 1.00 0.60 N ATOM 1521 CA HIS A 92 9.621 0.606 4.156 1.00 0.61 C ATOM 1522 C HIS A 92 10.294 0.016 2.896 1.00 0.74 C ATOM 1523 O HIS A 92 11.420 -0.485 2.986 1.00 1.01 O ATOM 1524 CB HIS A 92 10.058 2.058 4.413 1.00 0.72 C ATOM 1525 CG HIS A 92 9.871 2.964 3.229 1.00 0.78 C ATOM 1526 ND1 HIS A 92 8.719 3.624 2.868 1.00 1.03 N ATOM 1527 CD2 HIS A 92 10.818 3.248 2.283 1.00 0.75 C ATOM 1528 CE1 HIS A 92 8.966 4.282 1.725 1.00 1.12 C ATOM 1529 NE2 HIS A 92 10.234 4.083 1.330 1.00 0.91 N ATOM 0 H HIS A 92 10.914 -0.542 5.333 1.00 0.60 H new ATOM 0 HA HIS A 92 8.549 0.559 3.963 1.00 0.61 H new ATOM 0 HB2 HIS A 92 9.492 2.455 5.256 1.00 0.72 H new ATOM 0 HB3 HIS A 92 11.109 2.066 4.703 1.00 0.72 H new ATOM 0 HD1 HIS A 92 7.836 3.615 3.378 1.00 1.03 H new ATOM 0 HD2 HIS A 92 11.837 2.889 2.275 1.00 0.75 H new ATOM 0 HE1 HIS A 92 8.245 4.888 1.196 1.00 1.12 H new ATOM 1537 N LEU A 93 9.621 0.080 1.733 1.00 0.61 N ATOM 1538 CA LEU A 93 10.065 -0.514 0.460 1.00 0.64 C ATOM 1539 C LEU A 93 9.984 0.508 -0.697 1.00 0.66 C ATOM 1540 O LEU A 93 9.019 1.266 -0.814 1.00 0.63 O ATOM 1541 CB LEU A 93 9.198 -1.758 0.142 1.00 0.69 C ATOM 1542 CG LEU A 93 9.813 -3.157 0.355 1.00 0.88 C ATOM 1543 CD1 LEU A 93 10.707 -3.556 -0.821 1.00 1.17 C ATOM 1544 CD2 LEU A 93 10.621 -3.311 1.645 1.00 2.71 C ATOM 0 H LEU A 93 8.726 0.562 1.651 1.00 0.61 H new ATOM 0 HA LEU A 93 11.108 -0.813 0.562 1.00 0.64 H new ATOM 0 HB2 LEU A 93 8.295 -1.697 0.749 1.00 0.69 H new ATOM 0 HB3 LEU A 93 8.887 -1.688 -0.900 1.00 0.69 H new ATOM 0 HG LEU A 93 8.949 -3.817 0.432 1.00 0.88 H new ATOM 0 HD11 LEU A 93 11.125 -4.546 -0.641 1.00 1.17 H new ATOM 0 HD12 LEU A 93 10.117 -3.573 -1.737 1.00 1.17 H new ATOM 0 HD13 LEU A 93 11.517 -2.834 -0.924 1.00 1.17 H new ATOM 0 HD21 LEU A 93 11.014 -4.326 1.709 1.00 2.71 H new ATOM 0 HD22 LEU A 93 11.448 -2.601 1.643 1.00 2.71 H new ATOM 0 HD23 LEU A 93 9.977 -3.116 2.503 1.00 2.71 H new ATOM 1556 N MET A 94 10.980 0.478 -1.592 1.00 0.70 N ATOM 1557 CA MET A 94 11.096 1.338 -2.787 1.00 0.69 C ATOM 1558 C MET A 94 11.373 0.475 -4.031 1.00 0.71 C ATOM 1559 O MET A 94 12.257 -0.383 -3.993 1.00 0.95 O ATOM 1560 CB MET A 94 12.252 2.330 -2.589 1.00 0.79 C ATOM 1561 CG MET A 94 11.986 3.352 -1.478 1.00 0.93 C ATOM 1562 SD MET A 94 13.452 4.341 -1.087 1.00 1.06 S ATOM 1563 CE MET A 94 12.626 5.878 -0.621 1.00 0.92 C ATOM 0 H MET A 94 11.762 -0.171 -1.504 1.00 0.70 H new ATOM 0 HA MET A 94 10.162 1.882 -2.929 1.00 0.69 H new ATOM 0 HB2 MET A 94 13.161 1.776 -2.355 1.00 0.79 H new ATOM 0 HB3 MET A 94 12.433 2.859 -3.525 1.00 0.79 H new ATOM 0 HG2 MET A 94 11.175 4.014 -1.783 1.00 0.93 H new ATOM 0 HG3 MET A 94 11.652 2.831 -0.581 1.00 0.93 H new ATOM 0 HE1 MET A 94 13.370 6.663 -0.481 1.00 0.92 H new ATOM 0 HE2 MET A 94 11.933 6.172 -1.409 1.00 0.92 H new ATOM 0 HE3 MET A 94 12.077 5.728 0.308 1.00 0.92 H new ATOM 1573 N TRP A 95 10.634 0.673 -5.129 1.00 0.52 N ATOM 1574 CA TRP A 95 10.685 -0.223 -6.297 1.00 0.45 C ATOM 1575 C TRP A 95 11.873 0.124 -7.220 1.00 0.46 C ATOM 1576 O TRP A 95 11.923 1.213 -7.798 1.00 0.51 O ATOM 1577 CB TRP A 95 9.382 -0.141 -7.116 1.00 0.41 C ATOM 1578 CG TRP A 95 8.033 -0.335 -6.478 1.00 0.49 C ATOM 1579 CD1 TRP A 95 7.723 -0.359 -5.160 1.00 0.62 C ATOM 1580 CD2 TRP A 95 6.753 -0.456 -7.176 1.00 0.60 C ATOM 1581 NE1 TRP A 95 6.354 -0.425 -5.005 1.00 0.81 N ATOM 1582 CE2 TRP A 95 5.701 -0.465 -6.214 1.00 0.81 C ATOM 1583 CE3 TRP A 95 6.375 -0.510 -8.535 1.00 0.61 C ATOM 1584 CZ2 TRP A 95 4.346 -0.487 -6.578 1.00 1.01 C ATOM 1585 CZ3 TRP A 95 5.020 -0.553 -8.915 1.00 0.80 C ATOM 1586 CH2 TRP A 95 4.008 -0.543 -7.940 1.00 0.99 C ATOM 0 H TRP A 95 9.986 1.454 -5.236 1.00 0.52 H new ATOM 0 HA TRP A 95 10.811 -1.235 -5.913 1.00 0.45 H new ATOM 0 HB2 TRP A 95 9.369 0.840 -7.591 1.00 0.41 H new ATOM 0 HB3 TRP A 95 9.463 -0.880 -7.913 1.00 0.41 H new ATOM 0 HD1 TRP A 95 8.439 -0.331 -4.352 1.00 0.62 H new ATOM 0 HE1 TRP A 95 5.882 -0.442 -4.101 1.00 0.81 H new ATOM 0 HE3 TRP A 95 7.140 -0.518 -9.298 1.00 0.61 H new ATOM 0 HZ2 TRP A 95 3.575 -0.461 -5.822 1.00 1.01 H new ATOM 0 HZ3 TRP A 95 4.757 -0.594 -9.962 1.00 0.80 H new ATOM 0 HH2 TRP A 95 2.971 -0.578 -8.238 1.00 0.99 H new ATOM 1597 N ASN A 96 12.783 -0.834 -7.415 1.00 0.51 N ATOM 1598 CA ASN A 96 13.929 -0.763 -8.336 1.00 0.56 C ATOM 1599 C ASN A 96 13.985 -1.995 -9.266 1.00 0.62 C ATOM 1600 O ASN A 96 13.351 -3.021 -9.012 1.00 0.78 O ATOM 1601 CB ASN A 96 15.246 -0.644 -7.539 1.00 0.75 C ATOM 1602 CG ASN A 96 15.444 0.671 -6.781 1.00 1.12 C ATOM 1603 OD1 ASN A 96 14.721 1.646 -6.936 1.00 1.76 O ATOM 1604 ND2 ASN A 96 16.470 0.745 -5.956 1.00 1.80 N ATOM 0 H ASN A 96 12.742 -1.722 -6.914 1.00 0.51 H new ATOM 0 HA ASN A 96 13.801 0.123 -8.958 1.00 0.56 H new ATOM 0 HB2 ASN A 96 15.292 -1.465 -6.824 1.00 0.75 H new ATOM 0 HB3 ASN A 96 16.080 -0.774 -8.229 1.00 0.75 H new ATOM 0 HD21 ASN A 96 16.657 1.611 -5.451 1.00 1.80 H new ATOM 0 HD22 ASN A 96 17.076 -0.064 -5.822 1.00 1.80 H new ATOM 1611 N ASP A 97 14.793 -1.918 -10.327 1.00 0.58 N ATOM 1612 CA ASP A 97 15.134 -3.054 -11.199 1.00 0.56 C ATOM 1613 C ASP A 97 15.870 -4.172 -10.436 1.00 0.57 C ATOM 1614 O ASP A 97 15.662 -5.351 -10.716 1.00 0.62 O ATOM 1615 CB ASP A 97 16.000 -2.551 -12.363 1.00 0.56 C ATOM 1616 CG ASP A 97 15.277 -1.508 -13.229 1.00 1.15 C ATOM 1617 OD1 ASP A 97 15.375 -0.299 -12.910 1.00 1.90 O ATOM 1618 OD2 ASP A 97 14.629 -1.902 -14.226 1.00 2.20 O ATOM 0 H ASP A 97 15.240 -1.047 -10.613 1.00 0.58 H new ATOM 0 HA ASP A 97 14.206 -3.482 -11.577 1.00 0.56 H new ATOM 0 HB2 ASP A 97 16.918 -2.116 -11.967 1.00 0.56 H new ATOM 0 HB3 ASP A 97 16.291 -3.396 -12.986 1.00 0.56 H new ATOM 1623 N ASP A 98 16.690 -3.809 -9.441 1.00 0.59 N ATOM 1624 CA ASP A 98 17.364 -4.738 -8.526 1.00 0.66 C ATOM 1625 C ASP A 98 16.399 -5.364 -7.500 1.00 0.62 C ATOM 1626 O ASP A 98 16.505 -6.551 -7.190 1.00 0.69 O ATOM 1627 CB ASP A 98 18.493 -3.986 -7.816 1.00 0.75 C ATOM 1628 CG ASP A 98 19.248 -4.874 -6.810 1.00 2.40 C ATOM 1629 OD1 ASP A 98 20.021 -5.757 -7.252 1.00 3.35 O ATOM 1630 OD2 ASP A 98 19.083 -4.662 -5.585 1.00 3.71 O ATOM 0 H ASP A 98 16.909 -2.832 -9.245 1.00 0.59 H new ATOM 0 HA ASP A 98 17.765 -5.566 -9.110 1.00 0.66 H new ATOM 0 HB2 ASP A 98 19.195 -3.605 -8.558 1.00 0.75 H new ATOM 0 HB3 ASP A 98 18.079 -3.122 -7.295 1.00 0.75 H new ATOM 1635 N LEU A 99 15.430 -4.583 -7.005 1.00 0.58 N ATOM 1636 CA LEU A 99 14.412 -5.040 -6.052 1.00 0.62 C ATOM 1637 C LEU A 99 13.556 -6.153 -6.676 1.00 0.58 C ATOM 1638 O LEU A 99 13.329 -7.187 -6.046 1.00 0.64 O ATOM 1639 CB LEU A 99 13.597 -3.806 -5.592 1.00 0.73 C ATOM 1640 CG LEU A 99 12.745 -3.928 -4.310 1.00 0.91 C ATOM 1641 CD1 LEU A 99 11.432 -4.683 -4.525 1.00 2.16 C ATOM 1642 CD2 LEU A 99 13.529 -4.528 -3.142 1.00 1.27 C ATOM 0 H LEU A 99 15.330 -3.600 -7.260 1.00 0.58 H new ATOM 0 HA LEU A 99 14.866 -5.487 -5.168 1.00 0.62 H new ATOM 0 HB2 LEU A 99 14.295 -2.981 -5.450 1.00 0.73 H new ATOM 0 HB3 LEU A 99 12.932 -3.524 -6.408 1.00 0.73 H new ATOM 0 HG LEU A 99 12.483 -2.903 -4.047 1.00 0.91 H new ATOM 0 HD11 LEU A 99 10.883 -4.732 -3.585 1.00 2.16 H new ATOM 0 HD12 LEU A 99 10.831 -4.162 -5.270 1.00 2.16 H new ATOM 0 HD13 LEU A 99 11.646 -5.693 -4.874 1.00 2.16 H new ATOM 0 HD21 LEU A 99 12.884 -4.592 -2.266 1.00 1.27 H new ATOM 0 HD22 LEU A 99 13.876 -5.526 -3.411 1.00 1.27 H new ATOM 0 HD23 LEU A 99 14.387 -3.895 -2.916 1.00 1.27 H new ATOM 1654 N PHE A 100 13.162 -5.980 -7.943 1.00 0.60 N ATOM 1655 CA PHE A 100 12.475 -6.988 -8.755 1.00 0.63 C ATOM 1656 C PHE A 100 13.449 -7.747 -9.693 1.00 0.56 C ATOM 1657 O PHE A 100 13.072 -8.136 -10.795 1.00 0.55 O ATOM 1658 CB PHE A 100 11.314 -6.319 -9.524 1.00 0.93 C ATOM 1659 CG PHE A 100 10.092 -5.818 -8.761 1.00 1.00 C ATOM 1660 CD1 PHE A 100 9.943 -5.954 -7.365 1.00 1.87 C ATOM 1661 CD2 PHE A 100 9.060 -5.202 -9.495 1.00 1.43 C ATOM 1662 CE1 PHE A 100 8.806 -5.431 -6.720 1.00 1.89 C ATOM 1663 CE2 PHE A 100 7.920 -4.686 -8.855 1.00 1.47 C ATOM 1664 CZ PHE A 100 7.798 -4.791 -7.461 1.00 1.11 C ATOM 0 H PHE A 100 13.318 -5.107 -8.446 1.00 0.60 H new ATOM 0 HA PHE A 100 12.059 -7.749 -8.094 1.00 0.63 H new ATOM 0 HB2 PHE A 100 11.729 -5.470 -10.067 1.00 0.93 H new ATOM 0 HB3 PHE A 100 10.963 -7.033 -10.269 1.00 0.93 H new ATOM 0 HD1 PHE A 100 10.703 -6.461 -6.789 1.00 1.87 H new ATOM 0 HD2 PHE A 100 9.146 -5.125 -10.569 1.00 1.43 H new ATOM 0 HE1 PHE A 100 8.708 -5.522 -5.648 1.00 1.89 H new ATOM 0 HE2 PHE A 100 7.141 -4.211 -9.433 1.00 1.47 H new ATOM 0 HZ PHE A 100 6.933 -4.382 -6.960 1.00 1.11 H new ATOM 1674 N SER A 101 14.707 -7.973 -9.299 1.00 0.61 N ATOM 1675 CA SER A 101 15.693 -8.658 -10.162 1.00 0.63 C ATOM 1676 C SER A 101 15.401 -10.162 -10.348 1.00 0.66 C ATOM 1677 O SER A 101 15.526 -10.675 -11.464 1.00 0.92 O ATOM 1678 CB SER A 101 17.117 -8.399 -9.646 1.00 0.70 C ATOM 1679 OG SER A 101 18.100 -9.167 -10.327 1.00 0.83 O ATOM 0 H SER A 101 15.073 -7.694 -8.389 1.00 0.61 H new ATOM 0 HA SER A 101 15.605 -8.230 -11.160 1.00 0.63 H new ATOM 0 HB2 SER A 101 17.351 -7.340 -9.755 1.00 0.70 H new ATOM 0 HB3 SER A 101 17.159 -8.626 -8.581 1.00 0.70 H new ATOM 0 HG SER A 101 18.986 -8.963 -9.961 1.00 0.83 H new ATOM 1685 N GLU A 102 14.919 -10.871 -9.318 1.00 0.59 N ATOM 1686 CA GLU A 102 14.295 -12.193 -9.515 1.00 0.68 C ATOM 1687 C GLU A 102 12.858 -12.054 -10.043 1.00 0.61 C ATOM 1688 O GLU A 102 12.417 -12.851 -10.872 1.00 0.69 O ATOM 1689 CB GLU A 102 14.297 -13.021 -8.222 1.00 0.87 C ATOM 1690 CG GLU A 102 15.708 -13.453 -7.809 1.00 1.81 C ATOM 1691 CD GLU A 102 15.650 -14.533 -6.718 1.00 2.13 C ATOM 1692 OE1 GLU A 102 15.412 -14.191 -5.534 1.00 2.35 O ATOM 1693 OE2 GLU A 102 15.845 -15.731 -7.039 1.00 3.07 O ATOM 0 H GLU A 102 14.947 -10.558 -8.348 1.00 0.59 H new ATOM 0 HA GLU A 102 14.895 -12.719 -10.258 1.00 0.68 H new ATOM 0 HB2 GLU A 102 13.849 -12.437 -7.418 1.00 0.87 H new ATOM 0 HB3 GLU A 102 13.674 -13.905 -8.359 1.00 0.87 H new ATOM 0 HG2 GLU A 102 16.245 -13.835 -8.677 1.00 1.81 H new ATOM 0 HG3 GLU A 102 16.265 -12.590 -7.444 1.00 1.81 H new ATOM 1700 N ALA A 103 12.135 -11.011 -9.616 1.00 0.51 N ATOM 1701 CA ALA A 103 10.773 -10.702 -10.047 1.00 0.46 C ATOM 1702 C ALA A 103 10.704 -9.979 -11.410 1.00 0.41 C ATOM 1703 O ALA A 103 9.795 -9.195 -11.654 1.00 0.44 O ATOM 1704 CB ALA A 103 10.043 -9.978 -8.902 1.00 0.46 C ATOM 0 H ALA A 103 12.497 -10.339 -8.939 1.00 0.51 H new ATOM 0 HA ALA A 103 10.244 -11.634 -10.247 1.00 0.46 H new ATOM 0 HB1 ALA A 103 9.025 -9.742 -9.211 1.00 0.46 H new ATOM 0 HB2 ALA A 103 10.015 -10.622 -8.023 1.00 0.46 H new ATOM 0 HB3 ALA A 103 10.571 -9.056 -8.659 1.00 0.46 H new ATOM 1710 N GLN A 104 11.621 -10.265 -12.338 1.00 0.43 N ATOM 1711 CA GLN A 104 11.543 -9.777 -13.719 1.00 0.45 C ATOM 1712 C GLN A 104 10.244 -10.165 -14.463 1.00 0.40 C ATOM 1713 O GLN A 104 9.751 -9.301 -15.195 1.00 0.45 O ATOM 1714 CB GLN A 104 12.804 -10.167 -14.506 1.00 0.61 C ATOM 1715 CG GLN A 104 13.987 -9.253 -14.139 1.00 0.98 C ATOM 1716 CD GLN A 104 15.277 -9.656 -14.856 1.00 1.17 C ATOM 1717 OE1 GLN A 104 15.503 -9.341 -16.019 1.00 1.65 O ATOM 1718 NE2 GLN A 104 16.169 -10.373 -14.204 1.00 1.18 N ATOM 0 H GLN A 104 12.441 -10.843 -12.153 1.00 0.43 H new ATOM 0 HA GLN A 104 11.499 -8.690 -13.652 1.00 0.45 H new ATOM 0 HB2 GLN A 104 13.062 -11.205 -14.295 1.00 0.61 H new ATOM 0 HB3 GLN A 104 12.605 -10.099 -15.576 1.00 0.61 H new ATOM 0 HG2 GLN A 104 13.739 -8.222 -14.393 1.00 0.98 H new ATOM 0 HG3 GLN A 104 14.148 -9.286 -13.061 1.00 0.98 H new ATOM 0 HE21 GLN A 104 15.997 -10.644 -13.236 1.00 1.18 H new ATOM 0 HE22 GLN A 104 17.032 -10.658 -14.667 1.00 1.18 H new ATOM 1727 N PRO A 105 9.640 -11.371 -14.309 1.00 0.41 N ATOM 1728 CA PRO A 105 8.357 -11.666 -14.952 1.00 0.45 C ATOM 1729 C PRO A 105 7.178 -10.923 -14.299 1.00 0.44 C ATOM 1730 O PRO A 105 6.153 -10.738 -14.955 1.00 0.47 O ATOM 1731 CB PRO A 105 8.208 -13.188 -14.905 1.00 0.53 C ATOM 1732 CG PRO A 105 9.002 -13.600 -13.670 1.00 0.54 C ATOM 1733 CD PRO A 105 10.092 -12.538 -13.552 1.00 0.46 C ATOM 0 HA PRO A 105 8.343 -11.308 -15.982 1.00 0.45 H new ATOM 0 HB2 PRO A 105 7.162 -13.484 -14.824 1.00 0.53 H new ATOM 0 HB3 PRO A 105 8.603 -13.655 -15.807 1.00 0.53 H new ATOM 0 HG2 PRO A 105 8.372 -13.624 -12.781 1.00 0.54 H new ATOM 0 HG3 PRO A 105 9.428 -14.597 -13.785 1.00 0.54 H new ATOM 0 HD2 PRO A 105 10.264 -12.277 -12.508 1.00 0.46 H new ATOM 0 HD3 PRO A 105 11.037 -12.911 -13.947 1.00 0.46 H new ATOM 1741 N LEU A 106 7.331 -10.436 -13.057 1.00 0.44 N ATOM 1742 CA LEU A 106 6.420 -9.454 -12.461 1.00 0.42 C ATOM 1743 C LEU A 106 6.648 -8.088 -13.110 1.00 0.44 C ATOM 1744 O LEU A 106 5.695 -7.451 -13.545 1.00 0.49 O ATOM 1745 CB LEU A 106 6.648 -9.395 -10.933 1.00 0.39 C ATOM 1746 CG LEU A 106 5.570 -8.642 -10.136 1.00 0.53 C ATOM 1747 CD1 LEU A 106 4.332 -9.523 -9.927 1.00 1.58 C ATOM 1748 CD2 LEU A 106 6.121 -8.231 -8.761 1.00 1.09 C ATOM 0 H LEU A 106 8.093 -10.715 -12.439 1.00 0.44 H new ATOM 0 HA LEU A 106 5.386 -9.749 -12.638 1.00 0.42 H new ATOM 0 HB2 LEU A 106 6.712 -10.414 -10.552 1.00 0.39 H new ATOM 0 HB3 LEU A 106 7.612 -8.923 -10.744 1.00 0.39 H new ATOM 0 HG LEU A 106 5.289 -7.756 -10.706 1.00 0.53 H new ATOM 0 HD11 LEU A 106 3.583 -8.969 -9.361 1.00 1.58 H new ATOM 0 HD12 LEU A 106 3.919 -9.806 -10.895 1.00 1.58 H new ATOM 0 HD13 LEU A 106 4.613 -10.421 -9.376 1.00 1.58 H new ATOM 0 HD21 LEU A 106 5.350 -7.698 -8.204 1.00 1.09 H new ATOM 0 HD22 LEU A 106 6.419 -9.121 -8.207 1.00 1.09 H new ATOM 0 HD23 LEU A 106 6.986 -7.581 -8.895 1.00 1.09 H new ATOM 1760 N TRP A 107 7.909 -7.656 -13.220 1.00 0.47 N ATOM 1761 CA TRP A 107 8.281 -6.322 -13.689 1.00 0.50 C ATOM 1762 C TRP A 107 7.896 -6.108 -15.158 1.00 0.52 C ATOM 1763 O TRP A 107 7.416 -5.038 -15.514 1.00 0.51 O ATOM 1764 CB TRP A 107 9.790 -6.080 -13.483 1.00 0.53 C ATOM 1765 CG TRP A 107 10.233 -4.740 -12.955 1.00 0.97 C ATOM 1766 CD1 TRP A 107 11.492 -4.512 -12.517 1.00 1.54 C ATOM 1767 CD2 TRP A 107 9.491 -3.500 -12.664 1.00 1.62 C ATOM 1768 NE1 TRP A 107 11.566 -3.279 -11.907 1.00 2.51 N ATOM 1769 CE2 TRP A 107 10.356 -2.628 -11.930 1.00 2.62 C ATOM 1770 CE3 TRP A 107 8.178 -3.019 -12.887 1.00 1.79 C ATOM 1771 CZ2 TRP A 107 9.932 -1.403 -11.395 1.00 3.58 C ATOM 1772 CZ3 TRP A 107 7.740 -1.792 -12.362 1.00 2.64 C ATOM 1773 CH2 TRP A 107 8.609 -0.992 -11.606 1.00 3.54 C ATOM 0 H TRP A 107 8.713 -8.237 -12.980 1.00 0.47 H new ATOM 0 HA TRP A 107 7.724 -5.597 -13.096 1.00 0.50 H new ATOM 0 HB2 TRP A 107 10.159 -6.845 -12.800 1.00 0.53 H new ATOM 0 HB3 TRP A 107 10.286 -6.241 -14.440 1.00 0.53 H new ATOM 0 HD1 TRP A 107 12.319 -5.197 -12.629 1.00 1.54 H new ATOM 0 HE1 TRP A 107 12.414 -2.896 -11.490 1.00 2.51 H new ATOM 0 HE3 TRP A 107 7.495 -3.612 -13.477 1.00 1.79 H new ATOM 0 HZ2 TRP A 107 10.614 -0.786 -10.829 1.00 3.58 H new ATOM 0 HZ3 TRP A 107 6.727 -1.462 -12.542 1.00 2.64 H new ATOM 0 HH2 TRP A 107 8.259 -0.060 -11.187 1.00 3.54 H new ATOM 1784 N GLU A 108 8.063 -7.125 -16.006 1.00 0.57 N ATOM 1785 CA GLU A 108 7.714 -7.058 -17.428 1.00 0.66 C ATOM 1786 C GLU A 108 6.194 -6.971 -17.621 1.00 0.65 C ATOM 1787 O GLU A 108 5.707 -6.122 -18.372 1.00 0.70 O ATOM 1788 CB GLU A 108 8.307 -8.277 -18.156 1.00 0.72 C ATOM 1789 CG GLU A 108 8.071 -8.229 -19.671 1.00 0.93 C ATOM 1790 CD GLU A 108 8.854 -9.339 -20.398 1.00 2.20 C ATOM 1791 OE1 GLU A 108 8.594 -10.539 -20.139 1.00 3.54 O ATOM 1792 OE2 GLU A 108 9.720 -9.010 -21.242 1.00 2.59 O ATOM 0 H GLU A 108 8.448 -8.026 -15.723 1.00 0.57 H new ATOM 0 HA GLU A 108 8.140 -6.152 -17.859 1.00 0.66 H new ATOM 0 HB2 GLU A 108 9.378 -8.328 -17.960 1.00 0.72 H new ATOM 0 HB3 GLU A 108 7.866 -9.188 -17.752 1.00 0.72 H new ATOM 0 HG2 GLU A 108 7.006 -8.337 -19.878 1.00 0.93 H new ATOM 0 HG3 GLU A 108 8.374 -7.256 -20.057 1.00 0.93 H new ATOM 1799 N ALA A 109 5.434 -7.810 -16.912 1.00 0.61 N ATOM 1800 CA ALA A 109 3.973 -7.769 -16.930 1.00 0.63 C ATOM 1801 C ALA A 109 3.430 -6.443 -16.377 1.00 0.58 C ATOM 1802 O ALA A 109 2.550 -5.830 -16.979 1.00 0.62 O ATOM 1803 CB ALA A 109 3.477 -8.990 -16.167 1.00 0.61 C ATOM 0 H ALA A 109 5.817 -8.538 -16.309 1.00 0.61 H new ATOM 0 HA ALA A 109 3.598 -7.808 -17.953 1.00 0.63 H new ATOM 0 HB1 ALA A 109 2.387 -8.995 -16.158 1.00 0.61 H new ATOM 0 HB2 ALA A 109 3.840 -9.895 -16.653 1.00 0.61 H new ATOM 0 HB3 ALA A 109 3.848 -8.954 -15.143 1.00 0.61 H new ATOM 1809 N ALA A 110 3.994 -5.955 -15.276 1.00 0.51 N ATOM 1810 CA ALA A 110 3.639 -4.675 -14.678 1.00 0.48 C ATOM 1811 C ALA A 110 3.928 -3.502 -15.638 1.00 0.55 C ATOM 1812 O ALA A 110 3.051 -2.672 -15.882 1.00 0.57 O ATOM 1813 CB ALA A 110 4.416 -4.597 -13.357 1.00 0.46 C ATOM 0 H ALA A 110 4.725 -6.450 -14.765 1.00 0.51 H new ATOM 0 HA ALA A 110 2.570 -4.598 -14.482 1.00 0.48 H new ATOM 0 HB1 ALA A 110 4.191 -3.654 -12.858 1.00 0.46 H new ATOM 0 HB2 ALA A 110 4.124 -5.427 -12.714 1.00 0.46 H new ATOM 0 HB3 ALA A 110 5.485 -4.654 -13.560 1.00 0.46 H new ATOM 1819 N ARG A 111 5.108 -3.497 -16.270 1.00 0.63 N ATOM 1820 CA ARG A 111 5.537 -2.517 -17.279 1.00 0.72 C ATOM 1821 C ARG A 111 4.601 -2.484 -18.494 1.00 0.76 C ATOM 1822 O ARG A 111 4.289 -1.398 -18.991 1.00 0.80 O ATOM 1823 CB ARG A 111 6.982 -2.857 -17.678 1.00 0.84 C ATOM 1824 CG ARG A 111 7.643 -1.901 -18.677 1.00 1.06 C ATOM 1825 CD ARG A 111 9.046 -2.437 -18.993 1.00 1.27 C ATOM 1826 NE ARG A 111 9.799 -1.530 -19.878 1.00 2.27 N ATOM 1827 CZ ARG A 111 10.850 -0.785 -19.552 1.00 3.23 C ATOM 1828 NH1 ARG A 111 11.307 -0.710 -18.319 1.00 4.05 N ATOM 1829 NH2 ARG A 111 11.471 -0.096 -20.484 1.00 4.36 N ATOM 0 H ARG A 111 5.820 -4.204 -16.086 1.00 0.63 H new ATOM 0 HA ARG A 111 5.493 -1.514 -16.856 1.00 0.72 H new ATOM 0 HB2 ARG A 111 7.591 -2.885 -16.774 1.00 0.84 H new ATOM 0 HB3 ARG A 111 6.995 -3.861 -18.102 1.00 0.84 H new ATOM 0 HG2 ARG A 111 7.048 -1.831 -19.588 1.00 1.06 H new ATOM 0 HG3 ARG A 111 7.705 -0.896 -18.259 1.00 1.06 H new ATOM 0 HD2 ARG A 111 9.598 -2.577 -18.064 1.00 1.27 H new ATOM 0 HD3 ARG A 111 8.962 -3.416 -19.465 1.00 1.27 H new ATOM 0 HE ARG A 111 9.479 -1.468 -20.844 1.00 2.27 H new ATOM 0 HH11 ARG A 111 10.851 -1.236 -17.573 1.00 4.05 H new ATOM 0 HH12 ARG A 111 12.117 -0.126 -18.110 1.00 4.05 H new ATOM 0 HH21 ARG A 111 11.145 -0.136 -21.450 1.00 4.36 H new ATOM 0 HH22 ARG A 111 12.278 0.478 -20.241 1.00 4.36 H new ATOM 1843 N ALA A 112 4.110 -3.648 -18.931 1.00 0.77 N ATOM 1844 CA ALA A 112 3.131 -3.774 -20.013 1.00 0.83 C ATOM 1845 C ALA A 112 1.761 -3.189 -19.622 1.00 0.78 C ATOM 1846 O ALA A 112 1.139 -2.468 -20.401 1.00 0.83 O ATOM 1847 CB ALA A 112 3.019 -5.263 -20.372 1.00 0.87 C ATOM 0 H ALA A 112 4.388 -4.546 -18.534 1.00 0.77 H new ATOM 0 HA ALA A 112 3.466 -3.200 -20.877 1.00 0.83 H new ATOM 0 HB1 ALA A 112 2.295 -5.390 -21.177 1.00 0.87 H new ATOM 0 HB2 ALA A 112 3.991 -5.633 -20.697 1.00 0.87 H new ATOM 0 HB3 ALA A 112 2.691 -5.824 -19.497 1.00 0.87 H new ATOM 1853 N HIS A 113 1.306 -3.476 -18.402 1.00 0.68 N ATOM 1854 CA HIS A 113 0.052 -2.970 -17.833 1.00 0.66 C ATOM 1855 C HIS A 113 0.071 -1.474 -17.427 1.00 0.64 C ATOM 1856 O HIS A 113 -0.994 -0.915 -17.150 1.00 0.66 O ATOM 1857 CB HIS A 113 -0.387 -3.928 -16.712 1.00 0.61 C ATOM 1858 CG HIS A 113 -0.846 -5.260 -17.269 1.00 0.64 C ATOM 1859 ND1 HIS A 113 -0.135 -6.435 -17.266 1.00 0.67 N ATOM 1860 CD2 HIS A 113 -2.039 -5.529 -17.889 1.00 0.66 C ATOM 1861 CE1 HIS A 113 -0.871 -7.384 -17.867 1.00 0.70 C ATOM 1862 NE2 HIS A 113 -2.050 -6.878 -18.269 1.00 0.69 N ATOM 0 H HIS A 113 1.814 -4.086 -17.761 1.00 0.68 H new ATOM 0 HA HIS A 113 -0.705 -2.967 -18.617 1.00 0.66 H new ATOM 0 HB2 HIS A 113 0.442 -4.087 -16.022 1.00 0.61 H new ATOM 0 HB3 HIS A 113 -1.196 -3.474 -16.139 1.00 0.61 H new ATOM 0 HD1 HIS A 113 0.797 -6.565 -16.873 1.00 0.67 H new ATOM 0 HD2 HIS A 113 -2.836 -4.820 -18.056 1.00 0.66 H new ATOM 0 HE1 HIS A 113 -0.560 -8.409 -18.008 1.00 0.70 H new ATOM 1870 N GLY A 114 1.241 -0.813 -17.406 1.00 0.62 N ATOM 1871 CA GLY A 114 1.395 0.643 -17.192 1.00 0.63 C ATOM 1872 C GLY A 114 2.101 1.049 -15.893 1.00 0.56 C ATOM 1873 O GLY A 114 2.278 2.240 -15.641 1.00 0.62 O ATOM 0 H GLY A 114 2.134 -1.287 -17.541 1.00 0.62 H new ATOM 0 HA2 GLY A 114 1.951 1.059 -18.032 1.00 0.63 H new ATOM 0 HA3 GLY A 114 0.406 1.101 -17.206 1.00 0.63 H new ATOM 1877 N LEU A 115 2.528 0.081 -15.081 1.00 0.51 N ATOM 1878 CA LEU A 115 3.210 0.285 -13.805 1.00 0.55 C ATOM 1879 C LEU A 115 4.719 0.446 -14.073 1.00 0.75 C ATOM 1880 O LEU A 115 5.337 -0.487 -14.587 1.00 1.62 O ATOM 1881 CB LEU A 115 2.940 -0.933 -12.893 1.00 0.55 C ATOM 1882 CG LEU A 115 1.481 -1.268 -12.486 1.00 0.58 C ATOM 1883 CD1 LEU A 115 0.564 -1.778 -13.614 1.00 0.93 C ATOM 1884 CD2 LEU A 115 1.524 -2.359 -11.406 1.00 1.13 C ATOM 0 H LEU A 115 2.402 -0.906 -15.305 1.00 0.51 H new ATOM 0 HA LEU A 115 2.842 1.182 -13.307 1.00 0.55 H new ATOM 0 HB2 LEU A 115 3.352 -1.812 -13.390 1.00 0.55 H new ATOM 0 HB3 LEU A 115 3.511 -0.789 -11.976 1.00 0.55 H new ATOM 0 HG LEU A 115 1.053 -0.322 -12.152 1.00 0.58 H new ATOM 0 HD11 LEU A 115 -0.429 -1.979 -13.213 1.00 0.93 H new ATOM 0 HD12 LEU A 115 0.493 -1.021 -14.395 1.00 0.93 H new ATOM 0 HD13 LEU A 115 0.978 -2.695 -14.033 1.00 0.93 H new ATOM 0 HD21 LEU A 115 0.508 -2.612 -11.103 1.00 1.13 H new ATOM 0 HD22 LEU A 115 2.015 -3.247 -11.805 1.00 1.13 H new ATOM 0 HD23 LEU A 115 2.080 -1.994 -10.542 1.00 1.13 H new ATOM 1896 N ARG A 116 5.321 1.608 -13.769 1.00 0.65 N ATOM 1897 CA ARG A 116 6.699 1.936 -14.200 1.00 0.62 C ATOM 1898 C ARG A 116 7.696 2.168 -13.053 1.00 0.59 C ATOM 1899 O ARG A 116 8.842 1.746 -13.190 1.00 0.66 O ATOM 1900 CB ARG A 116 6.681 3.147 -15.149 1.00 0.65 C ATOM 1901 CG ARG A 116 5.883 2.917 -16.447 1.00 0.82 C ATOM 1902 CD ARG A 116 6.429 1.777 -17.321 1.00 1.46 C ATOM 1903 NE ARG A 116 5.730 1.707 -18.618 1.00 2.26 N ATOM 1904 CZ ARG A 116 5.937 2.491 -19.674 1.00 2.25 C ATOM 1905 NH1 ARG A 116 6.864 3.427 -19.689 1.00 2.77 N ATOM 1906 NH2 ARG A 116 5.197 2.339 -20.752 1.00 3.15 N ATOM 0 H ARG A 116 4.874 2.344 -13.222 1.00 0.65 H new ATOM 0 HA ARG A 116 7.063 1.050 -14.720 1.00 0.62 H new ATOM 0 HB2 ARG A 116 6.258 4.002 -14.622 1.00 0.65 H new ATOM 0 HB3 ARG A 116 7.707 3.408 -15.407 1.00 0.65 H new ATOM 0 HG2 ARG A 116 4.846 2.700 -16.191 1.00 0.82 H new ATOM 0 HG3 ARG A 116 5.881 3.839 -17.029 1.00 0.82 H new ATOM 0 HD2 ARG A 116 7.496 1.925 -17.489 1.00 1.46 H new ATOM 0 HD3 ARG A 116 6.318 0.829 -16.795 1.00 1.46 H new ATOM 0 HE ARG A 116 5.016 0.985 -18.716 1.00 2.26 H new ATOM 0 HH11 ARG A 116 7.456 3.572 -18.871 1.00 2.77 H new ATOM 0 HH12 ARG A 116 6.990 4.007 -20.519 1.00 2.77 H new ATOM 0 HH21 ARG A 116 4.470 1.624 -20.775 1.00 3.15 H new ATOM 0 HH22 ARG A 116 5.351 2.936 -21.564 1.00 3.15 H new ATOM 1920 N ARG A 117 7.279 2.780 -11.937 1.00 0.60 N ATOM 1921 CA ARG A 117 7.970 2.848 -10.623 1.00 0.58 C ATOM 1922 C ARG A 117 6.906 2.959 -9.520 1.00 0.64 C ATOM 1923 O ARG A 117 5.732 3.170 -9.822 1.00 0.76 O ATOM 1924 CB ARG A 117 8.977 4.022 -10.527 1.00 0.67 C ATOM 1925 CG ARG A 117 10.179 3.975 -11.486 1.00 0.69 C ATOM 1926 CD ARG A 117 11.077 2.732 -11.416 1.00 0.65 C ATOM 1927 NE ARG A 117 12.026 2.768 -10.288 1.00 1.08 N ATOM 1928 CZ ARG A 117 13.274 3.220 -10.331 1.00 1.53 C ATOM 1929 NH1 ARG A 117 13.778 3.805 -11.399 1.00 2.32 N ATOM 1930 NH2 ARG A 117 14.051 3.081 -9.282 1.00 2.00 N ATOM 0 H ARG A 117 6.389 3.278 -11.917 1.00 0.60 H new ATOM 0 HA ARG A 117 8.559 1.939 -10.502 1.00 0.58 H new ATOM 0 HB2 ARG A 117 8.436 4.951 -10.704 1.00 0.67 H new ATOM 0 HB3 ARG A 117 9.356 4.063 -9.506 1.00 0.67 H new ATOM 0 HG2 ARG A 117 9.803 4.065 -12.505 1.00 0.69 H new ATOM 0 HG3 ARG A 117 10.798 4.852 -11.296 1.00 0.69 H new ATOM 0 HD2 ARG A 117 10.452 1.844 -11.329 1.00 0.65 H new ATOM 0 HD3 ARG A 117 11.634 2.640 -12.349 1.00 0.65 H new ATOM 0 HE ARG A 117 11.693 2.413 -9.392 1.00 1.08 H new ATOM 0 HH11 ARG A 117 13.204 3.924 -12.234 1.00 2.32 H new ATOM 0 HH12 ARG A 117 14.742 4.138 -11.391 1.00 2.32 H new ATOM 0 HH21 ARG A 117 13.695 2.628 -8.440 1.00 2.00 H new ATOM 0 HH22 ARG A 117 15.011 3.426 -9.309 1.00 2.00 H new ATOM 1944 N GLY A 118 7.273 2.790 -8.247 1.00 0.63 N ATOM 1945 CA GLY A 118 6.311 2.882 -7.140 1.00 0.63 C ATOM 1946 C GLY A 118 6.909 3.002 -5.743 1.00 0.55 C ATOM 1947 O GLY A 118 8.121 3.137 -5.570 1.00 0.61 O ATOM 0 H GLY A 118 8.229 2.589 -7.955 1.00 0.63 H new ATOM 0 HA2 GLY A 118 5.669 3.745 -7.314 1.00 0.63 H new ATOM 0 HA3 GLY A 118 5.672 1.999 -7.166 1.00 0.63 H new ATOM 1951 N VAL A 119 6.014 2.967 -4.756 1.00 0.45 N ATOM 1952 CA VAL A 119 6.276 3.208 -3.323 1.00 0.44 C ATOM 1953 C VAL A 119 5.450 2.217 -2.480 1.00 0.40 C ATOM 1954 O VAL A 119 4.314 1.926 -2.856 1.00 0.45 O ATOM 1955 CB VAL A 119 5.954 4.683 -2.944 1.00 0.52 C ATOM 1956 CG1 VAL A 119 6.776 5.685 -3.775 1.00 0.73 C ATOM 1957 CG2 VAL A 119 4.476 5.064 -3.125 1.00 0.60 C ATOM 0 H VAL A 119 5.032 2.759 -4.936 1.00 0.45 H new ATOM 0 HA VAL A 119 7.334 3.046 -3.116 1.00 0.44 H new ATOM 0 HB VAL A 119 6.213 4.740 -1.887 1.00 0.52 H new ATOM 0 HG11 VAL A 119 6.519 6.702 -3.477 1.00 0.73 H new ATOM 0 HG12 VAL A 119 7.839 5.514 -3.604 1.00 0.73 H new ATOM 0 HG13 VAL A 119 6.553 5.550 -4.833 1.00 0.73 H new ATOM 0 HG21 VAL A 119 4.331 6.106 -2.841 1.00 0.60 H new ATOM 0 HG22 VAL A 119 4.191 4.930 -4.168 1.00 0.60 H new ATOM 0 HG23 VAL A 119 3.856 4.427 -2.495 1.00 0.60 H new ATOM 1967 N THR A 120 5.996 1.692 -1.369 1.00 0.40 N ATOM 1968 CA THR A 120 5.388 0.599 -0.574 1.00 0.37 C ATOM 1969 C THR A 120 5.659 0.757 0.926 1.00 0.44 C ATOM 1970 O THR A 120 6.760 1.135 1.328 1.00 0.54 O ATOM 1971 CB THR A 120 5.939 -0.740 -1.079 1.00 0.33 C ATOM 1972 OG1 THR A 120 5.440 -0.986 -2.368 1.00 0.36 O ATOM 1973 CG2 THR A 120 5.550 -1.947 -0.230 1.00 0.42 C ATOM 0 H THR A 120 6.885 2.017 -0.989 1.00 0.40 H new ATOM 0 HA THR A 120 4.306 0.636 -0.703 1.00 0.37 H new ATOM 0 HB THR A 120 7.023 -0.636 -1.043 1.00 0.33 H new ATOM 0 HG1 THR A 120 5.790 -1.840 -2.697 1.00 0.36 H new ATOM 0 HG21 THR A 120 5.983 -2.850 -0.661 1.00 0.42 H new ATOM 0 HG22 THR A 120 5.924 -1.814 0.785 1.00 0.42 H new ATOM 0 HG23 THR A 120 4.464 -2.041 -0.207 1.00 0.42 H new ATOM 1981 N GLN A 121 4.677 0.416 1.771 1.00 0.44 N ATOM 1982 CA GLN A 121 4.778 0.556 3.231 1.00 0.45 C ATOM 1983 C GLN A 121 4.102 -0.604 3.996 1.00 0.48 C ATOM 1984 O GLN A 121 3.048 -1.103 3.596 1.00 0.56 O ATOM 1985 CB GLN A 121 4.192 1.927 3.627 1.00 0.44 C ATOM 1986 CG GLN A 121 4.957 2.650 4.751 1.00 1.50 C ATOM 1987 CD GLN A 121 4.866 1.980 6.124 1.00 2.63 C ATOM 1988 OE1 GLN A 121 3.837 1.475 6.539 1.00 3.66 O ATOM 1989 NE2 GLN A 121 5.929 1.928 6.891 1.00 3.41 N ATOM 0 H GLN A 121 3.784 0.033 1.460 1.00 0.44 H new ATOM 0 HA GLN A 121 5.829 0.505 3.517 1.00 0.45 H new ATOM 0 HB2 GLN A 121 4.175 2.568 2.746 1.00 0.44 H new ATOM 0 HB3 GLN A 121 3.157 1.788 3.940 1.00 0.44 H new ATOM 0 HG2 GLN A 121 6.007 2.724 4.467 1.00 1.50 H new ATOM 0 HG3 GLN A 121 4.577 3.668 4.833 1.00 1.50 H new ATOM 0 HE21 GLN A 121 6.807 2.341 6.575 1.00 3.41 H new ATOM 0 HE22 GLN A 121 5.878 1.475 7.803 1.00 3.41 H new ATOM 1998 N TYR A 122 4.718 -1.004 5.118 1.00 0.62 N ATOM 1999 CA TYR A 122 4.259 -2.011 6.091 1.00 0.57 C ATOM 2000 C TYR A 122 4.279 -1.446 7.530 1.00 0.63 C ATOM 2001 O TYR A 122 5.258 -0.815 7.949 1.00 0.97 O ATOM 2002 CB TYR A 122 5.197 -3.231 5.983 1.00 0.66 C ATOM 2003 CG TYR A 122 5.415 -4.058 7.238 1.00 0.67 C ATOM 2004 CD1 TYR A 122 4.557 -5.124 7.562 1.00 1.84 C ATOM 2005 CD2 TYR A 122 6.510 -3.765 8.078 1.00 1.67 C ATOM 2006 CE1 TYR A 122 4.789 -5.894 8.721 1.00 1.98 C ATOM 2007 CE2 TYR A 122 6.745 -4.525 9.237 1.00 1.66 C ATOM 2008 CZ TYR A 122 5.885 -5.596 9.562 1.00 0.95 C ATOM 2009 OH TYR A 122 6.120 -6.339 10.681 1.00 1.16 O ATOM 0 H TYR A 122 5.616 -0.604 5.391 1.00 0.62 H new ATOM 0 HA TYR A 122 3.230 -2.296 5.870 1.00 0.57 H new ATOM 0 HB2 TYR A 122 4.804 -3.890 5.209 1.00 0.66 H new ATOM 0 HB3 TYR A 122 6.169 -2.879 5.638 1.00 0.66 H new ATOM 0 HD1 TYR A 122 3.718 -5.354 6.922 1.00 1.84 H new ATOM 0 HD2 TYR A 122 7.173 -2.950 7.828 1.00 1.67 H new ATOM 0 HE1 TYR A 122 4.128 -6.712 8.966 1.00 1.98 H new ATOM 0 HE2 TYR A 122 7.582 -4.290 9.878 1.00 1.66 H new ATOM 0 HH TYR A 122 6.915 -5.996 11.141 1.00 1.16 H new ATOM 2019 N LEU A 123 3.231 -1.729 8.319 1.00 0.50 N ATOM 2020 CA LEU A 123 3.106 -1.317 9.725 1.00 0.55 C ATOM 2021 C LEU A 123 2.184 -2.298 10.473 1.00 0.79 C ATOM 2022 O LEU A 123 1.169 -2.732 9.929 1.00 1.11 O ATOM 2023 CB LEU A 123 2.652 0.165 9.767 1.00 0.84 C ATOM 2024 CG LEU A 123 2.866 0.902 11.107 1.00 0.81 C ATOM 2025 CD1 LEU A 123 3.101 2.400 10.847 1.00 2.03 C ATOM 2026 CD2 LEU A 123 1.671 0.770 12.065 1.00 2.08 C ATOM 0 H LEU A 123 2.428 -2.264 7.989 1.00 0.50 H new ATOM 0 HA LEU A 123 4.060 -1.363 10.250 1.00 0.55 H new ATOM 0 HB2 LEU A 123 3.184 0.709 8.987 1.00 0.84 H new ATOM 0 HB3 LEU A 123 1.592 0.206 9.518 1.00 0.84 H new ATOM 0 HG LEU A 123 3.732 0.436 11.576 1.00 0.81 H new ATOM 0 HD11 LEU A 123 3.251 2.915 11.796 1.00 2.03 H new ATOM 0 HD12 LEU A 123 3.985 2.526 10.222 1.00 2.03 H new ATOM 0 HD13 LEU A 123 2.234 2.822 10.339 1.00 2.03 H new ATOM 0 HD21 LEU A 123 1.883 1.309 12.988 1.00 2.08 H new ATOM 0 HD22 LEU A 123 0.781 1.189 11.596 1.00 2.08 H new ATOM 0 HD23 LEU A 123 1.500 -0.283 12.291 1.00 2.08 H new ATOM 2038 N MET A 124 2.550 -2.672 11.704 1.00 0.86 N ATOM 2039 CA MET A 124 1.959 -3.786 12.471 1.00 1.09 C ATOM 2040 C MET A 124 1.193 -3.267 13.702 1.00 1.26 C ATOM 2041 O MET A 124 1.690 -2.386 14.408 1.00 1.29 O ATOM 2042 CB MET A 124 3.115 -4.714 12.897 1.00 1.22 C ATOM 2043 CG MET A 124 2.681 -6.010 13.595 1.00 1.65 C ATOM 2044 SD MET A 124 1.929 -7.251 12.518 1.00 2.17 S ATOM 2045 CE MET A 124 0.515 -7.734 13.530 1.00 1.58 C ATOM 0 H MET A 124 3.291 -2.194 12.216 1.00 0.86 H new ATOM 0 HA MET A 124 1.239 -4.327 11.857 1.00 1.09 H new ATOM 0 HB2 MET A 124 3.698 -4.973 12.013 1.00 1.22 H new ATOM 0 HB3 MET A 124 3.776 -4.163 13.565 1.00 1.22 H new ATOM 0 HG2 MET A 124 3.552 -6.452 14.079 1.00 1.65 H new ATOM 0 HG3 MET A 124 1.972 -5.759 14.383 1.00 1.65 H new ATOM 0 HE1 MET A 124 -0.061 -8.499 13.009 1.00 1.58 H new ATOM 0 HE2 MET A 124 0.868 -8.130 14.482 1.00 1.58 H new ATOM 0 HE3 MET A 124 -0.117 -6.865 13.711 1.00 1.58 H new ATOM 2055 N LEU A 125 0.001 -3.817 13.980 1.00 1.43 N ATOM 2056 CA LEU A 125 -0.829 -3.450 15.142 1.00 1.54 C ATOM 2057 C LEU A 125 -0.799 -4.547 16.232 1.00 1.47 C ATOM 2058 O LEU A 125 -0.925 -5.729 15.890 1.00 1.44 O ATOM 2059 CB LEU A 125 -2.287 -3.211 14.698 1.00 1.74 C ATOM 2060 CG LEU A 125 -2.513 -2.119 13.635 1.00 1.57 C ATOM 2061 CD1 LEU A 125 -4.014 -2.047 13.327 1.00 2.60 C ATOM 2062 CD2 LEU A 125 -2.008 -0.737 14.078 1.00 2.02 C ATOM 0 H LEU A 125 -0.421 -4.540 13.397 1.00 1.43 H new ATOM 0 HA LEU A 125 -0.416 -2.534 15.565 1.00 1.54 H new ATOM 0 HB2 LEU A 125 -2.684 -4.150 14.312 1.00 1.74 H new ATOM 0 HB3 LEU A 125 -2.874 -2.955 15.580 1.00 1.74 H new ATOM 0 HG LEU A 125 -1.939 -2.390 12.749 1.00 1.57 H new ATOM 0 HD11 LEU A 125 -4.195 -1.278 12.575 1.00 2.60 H new ATOM 0 HD12 LEU A 125 -4.355 -3.011 12.949 1.00 2.60 H new ATOM 0 HD13 LEU A 125 -4.561 -1.800 14.237 1.00 2.60 H new ATOM 0 HD21 LEU A 125 -2.195 -0.011 13.287 1.00 2.02 H new ATOM 0 HD22 LEU A 125 -2.532 -0.431 14.983 1.00 2.02 H new ATOM 0 HD23 LEU A 125 -0.938 -0.788 14.278 1.00 2.02 H new ATOM 2074 N PRO A 126 -0.683 -4.198 17.533 1.00 1.53 N ATOM 2075 CA PRO A 126 -0.652 -5.176 18.622 1.00 1.60 C ATOM 2076 C PRO A 126 -2.011 -5.847 18.902 1.00 1.67 C ATOM 2077 O PRO A 126 -2.028 -6.924 19.495 1.00 1.76 O ATOM 2078 CB PRO A 126 -0.130 -4.407 19.843 1.00 1.71 C ATOM 2079 CG PRO A 126 -0.547 -2.964 19.572 1.00 1.69 C ATOM 2080 CD PRO A 126 -0.435 -2.857 18.052 1.00 1.59 C ATOM 0 HA PRO A 126 -0.009 -6.015 18.355 1.00 1.60 H new ATOM 0 HB2 PRO A 126 -0.567 -4.782 20.768 1.00 1.71 H new ATOM 0 HB3 PRO A 126 0.952 -4.499 19.941 1.00 1.71 H new ATOM 0 HG2 PRO A 126 -1.561 -2.765 19.917 1.00 1.69 H new ATOM 0 HG3 PRO A 126 0.107 -2.253 20.077 1.00 1.69 H new ATOM 0 HD2 PRO A 126 -1.160 -2.146 17.657 1.00 1.59 H new ATOM 0 HD3 PRO A 126 0.553 -2.502 17.758 1.00 1.59 H new ATOM 2088 N GLU A 127 -3.138 -5.260 18.473 1.00 1.73 N ATOM 2089 CA GLU A 127 -4.489 -5.803 18.684 1.00 1.90 C ATOM 2090 C GLU A 127 -4.735 -7.169 18.005 1.00 1.97 C ATOM 2091 O GLU A 127 -5.592 -7.911 18.494 1.00 2.89 O ATOM 2092 CB GLU A 127 -5.561 -4.798 18.209 1.00 2.30 C ATOM 2093 CG GLU A 127 -5.645 -3.498 19.033 1.00 2.32 C ATOM 2094 CD GLU A 127 -4.802 -2.343 18.465 1.00 2.65 C ATOM 2095 OE1 GLU A 127 -3.650 -2.576 18.040 1.00 3.10 O ATOM 2096 OE2 GLU A 127 -5.289 -1.188 18.464 1.00 3.66 O ATOM 0 H GLU A 127 -3.136 -4.378 17.960 1.00 1.73 H new ATOM 0 HA GLU A 127 -4.567 -5.967 19.759 1.00 1.90 H new ATOM 0 HB2 GLU A 127 -5.360 -4.539 17.169 1.00 2.30 H new ATOM 0 HB3 GLU A 127 -6.534 -5.289 18.233 1.00 2.30 H new ATOM 0 HG2 GLU A 127 -6.687 -3.181 19.088 1.00 2.32 H new ATOM 0 HG3 GLU A 127 -5.320 -3.704 20.053 1.00 2.32 H new ATOM 2103 N ARG A 128 -3.989 -7.481 16.921 1.00 1.55 N ATOM 2104 CA ARG A 128 -3.835 -8.777 16.202 1.00 1.79 C ATOM 2105 C ARG A 128 -3.466 -8.637 14.716 1.00 1.25 C ATOM 2106 O ARG A 128 -2.630 -9.392 14.217 1.00 2.13 O ATOM 2107 CB ARG A 128 -5.036 -9.744 16.325 1.00 2.80 C ATOM 2108 CG ARG A 128 -6.371 -9.187 15.785 1.00 4.04 C ATOM 2109 CD ARG A 128 -7.551 -10.057 16.231 1.00 4.94 C ATOM 2110 NE ARG A 128 -8.816 -9.304 16.208 1.00 6.52 N ATOM 2111 CZ ARG A 128 -9.277 -8.507 17.166 1.00 7.43 C ATOM 2112 NH1 ARG A 128 -8.563 -8.176 18.225 1.00 7.14 N ATOM 2113 NH2 ARG A 128 -10.491 -8.020 17.054 1.00 9.09 N ATOM 0 H ARG A 128 -3.419 -6.760 16.478 1.00 1.55 H new ATOM 0 HA ARG A 128 -2.993 -9.219 16.734 1.00 1.79 H new ATOM 0 HB2 ARG A 128 -4.800 -10.665 15.791 1.00 2.80 H new ATOM 0 HB3 ARG A 128 -5.166 -10.008 17.374 1.00 2.80 H new ATOM 0 HG2 ARG A 128 -6.513 -8.166 16.140 1.00 4.04 H new ATOM 0 HG3 ARG A 128 -6.337 -9.144 14.696 1.00 4.04 H new ATOM 0 HD2 ARG A 128 -7.631 -10.926 15.577 1.00 4.94 H new ATOM 0 HD3 ARG A 128 -7.368 -10.432 17.238 1.00 4.94 H new ATOM 0 HE ARG A 128 -9.396 -9.404 15.375 1.00 6.52 H new ATOM 0 HH11 ARG A 128 -7.615 -8.536 18.333 1.00 7.14 H new ATOM 0 HH12 ARG A 128 -8.959 -7.561 18.935 1.00 7.14 H new ATOM 0 HH21 ARG A 128 -11.062 -8.255 16.242 1.00 9.09 H new ATOM 0 HH22 ARG A 128 -10.863 -7.406 17.779 1.00 9.09 H new ATOM 2127 N ALA A 129 -4.138 -7.740 13.989 1.00 1.45 N ATOM 2128 CA ALA A 129 -4.153 -7.735 12.523 1.00 1.18 C ATOM 2129 C ALA A 129 -3.013 -6.908 11.901 1.00 1.13 C ATOM 2130 O ALA A 129 -2.339 -6.123 12.572 1.00 1.44 O ATOM 2131 CB ALA A 129 -5.535 -7.264 12.052 1.00 1.62 C ATOM 0 H ALA A 129 -4.691 -6.991 14.404 1.00 1.45 H new ATOM 0 HA ALA A 129 -3.971 -8.751 12.174 1.00 1.18 H new ATOM 0 HB1 ALA A 129 -5.564 -7.254 10.962 1.00 1.62 H new ATOM 0 HB2 ALA A 129 -6.299 -7.944 12.429 1.00 1.62 H new ATOM 0 HB3 ALA A 129 -5.725 -6.259 12.429 1.00 1.62 H new ATOM 2137 N LEU A 130 -2.825 -7.087 10.593 1.00 0.95 N ATOM 2138 CA LEU A 130 -1.754 -6.490 9.797 1.00 0.90 C ATOM 2139 C LEU A 130 -2.306 -5.970 8.462 1.00 0.83 C ATOM 2140 O LEU A 130 -3.308 -6.468 7.948 1.00 0.93 O ATOM 2141 CB LEU A 130 -0.658 -7.565 9.624 1.00 1.11 C ATOM 2142 CG LEU A 130 0.551 -7.195 8.740 1.00 1.16 C ATOM 2143 CD1 LEU A 130 1.254 -5.902 9.173 1.00 2.24 C ATOM 2144 CD2 LEU A 130 1.569 -8.344 8.770 1.00 1.53 C ATOM 0 H LEU A 130 -3.442 -7.678 10.036 1.00 0.95 H new ATOM 0 HA LEU A 130 -1.320 -5.622 10.293 1.00 0.90 H new ATOM 0 HB2 LEU A 130 -0.286 -7.832 10.613 1.00 1.11 H new ATOM 0 HB3 LEU A 130 -1.122 -8.458 9.207 1.00 1.11 H new ATOM 0 HG LEU A 130 0.163 -7.028 7.735 1.00 1.16 H new ATOM 0 HD11 LEU A 130 2.094 -5.704 8.507 1.00 2.24 H new ATOM 0 HD12 LEU A 130 0.550 -5.071 9.126 1.00 2.24 H new ATOM 0 HD13 LEU A 130 1.619 -6.011 10.194 1.00 2.24 H new ATOM 0 HD21 LEU A 130 2.426 -8.088 8.147 1.00 1.53 H new ATOM 0 HD22 LEU A 130 1.902 -8.508 9.795 1.00 1.53 H new ATOM 0 HD23 LEU A 130 1.103 -9.253 8.390 1.00 1.53 H new ATOM 2156 N GLY A 131 -1.638 -4.970 7.889 1.00 0.77 N ATOM 2157 CA GLY A 131 -1.931 -4.437 6.563 1.00 0.67 C ATOM 2158 C GLY A 131 -0.731 -3.745 5.923 1.00 0.64 C ATOM 2159 O GLY A 131 0.285 -3.473 6.568 1.00 0.69 O ATOM 0 H GLY A 131 -0.859 -4.497 8.347 1.00 0.77 H new ATOM 0 HA2 GLY A 131 -2.264 -5.249 5.916 1.00 0.67 H new ATOM 0 HA3 GLY A 131 -2.756 -3.729 6.636 1.00 0.67 H new ATOM 2163 N PHE A 132 -0.880 -3.472 4.632 1.00 0.65 N ATOM 2164 CA PHE A 132 0.133 -2.907 3.746 1.00 0.59 C ATOM 2165 C PHE A 132 -0.574 -1.998 2.730 1.00 0.58 C ATOM 2166 O PHE A 132 -1.720 -2.269 2.354 1.00 0.66 O ATOM 2167 CB PHE A 132 0.899 -4.026 2.995 1.00 0.69 C ATOM 2168 CG PHE A 132 1.232 -5.313 3.746 1.00 1.14 C ATOM 2169 CD1 PHE A 132 0.222 -6.254 4.042 1.00 2.48 C ATOM 2170 CD2 PHE A 132 2.568 -5.618 4.073 1.00 2.20 C ATOM 2171 CE1 PHE A 132 0.536 -7.460 4.692 1.00 3.20 C ATOM 2172 CE2 PHE A 132 2.886 -6.833 4.711 1.00 2.93 C ATOM 2173 CZ PHE A 132 1.869 -7.751 5.027 1.00 3.02 C ATOM 0 H PHE A 132 -1.760 -3.649 4.148 1.00 0.65 H new ATOM 0 HA PHE A 132 0.855 -2.342 4.335 1.00 0.59 H new ATOM 0 HB2 PHE A 132 0.313 -4.297 2.117 1.00 0.69 H new ATOM 0 HB3 PHE A 132 1.836 -3.601 2.634 1.00 0.69 H new ATOM 0 HD1 PHE A 132 -0.801 -6.045 3.766 1.00 2.48 H new ATOM 0 HD2 PHE A 132 3.353 -4.916 3.833 1.00 2.20 H new ATOM 0 HE1 PHE A 132 -0.247 -8.163 4.934 1.00 3.20 H new ATOM 0 HE2 PHE A 132 3.913 -7.060 4.958 1.00 2.93 H new ATOM 0 HZ PHE A 132 2.112 -8.677 5.526 1.00 3.02 H new ATOM 2183 N LEU A 133 0.106 -0.967 2.219 1.00 0.55 N ATOM 2184 CA LEU A 133 -0.373 -0.232 1.043 1.00 0.48 C ATOM 2185 C LEU A 133 0.778 0.246 0.167 1.00 0.57 C ATOM 2186 O LEU A 133 1.878 0.538 0.646 1.00 0.75 O ATOM 2187 CB LEU A 133 -1.402 0.863 1.414 1.00 0.50 C ATOM 2188 CG LEU A 133 -0.874 2.192 2.004 1.00 0.69 C ATOM 2189 CD1 LEU A 133 -0.373 3.186 0.938 1.00 1.26 C ATOM 2190 CD2 LEU A 133 -2.021 2.879 2.761 1.00 1.78 C ATOM 0 H LEU A 133 0.988 -0.623 2.600 1.00 0.55 H new ATOM 0 HA LEU A 133 -0.932 -0.929 0.419 1.00 0.48 H new ATOM 0 HB2 LEU A 133 -1.973 1.101 0.517 1.00 0.50 H new ATOM 0 HB3 LEU A 133 -2.101 0.434 2.132 1.00 0.50 H new ATOM 0 HG LEU A 133 -0.031 1.935 2.645 1.00 0.69 H new ATOM 0 HD11 LEU A 133 -0.018 4.094 1.425 1.00 1.26 H new ATOM 0 HD12 LEU A 133 0.443 2.734 0.374 1.00 1.26 H new ATOM 0 HD13 LEU A 133 -1.189 3.434 0.259 1.00 1.26 H new ATOM 0 HD21 LEU A 133 -1.666 3.819 3.184 1.00 1.78 H new ATOM 0 HD22 LEU A 133 -2.843 3.078 2.073 1.00 1.78 H new ATOM 0 HD23 LEU A 133 -2.369 2.228 3.563 1.00 1.78 H new ATOM 2202 N SER A 134 0.497 0.327 -1.128 1.00 0.49 N ATOM 2203 CA SER A 134 1.502 0.568 -2.161 1.00 0.47 C ATOM 2204 C SER A 134 0.887 1.342 -3.330 1.00 0.44 C ATOM 2205 O SER A 134 -0.183 0.974 -3.827 1.00 0.55 O ATOM 2206 CB SER A 134 2.072 -0.760 -2.687 1.00 0.64 C ATOM 2207 OG SER A 134 2.411 -1.654 -1.638 1.00 1.96 O ATOM 0 H SER A 134 -0.448 0.226 -1.497 1.00 0.49 H new ATOM 0 HA SER A 134 2.306 1.153 -1.715 1.00 0.47 H new ATOM 0 HB2 SER A 134 1.340 -1.233 -3.342 1.00 0.64 H new ATOM 0 HB3 SER A 134 2.957 -0.559 -3.290 1.00 0.64 H new ATOM 0 HG SER A 134 2.015 -2.532 -1.816 1.00 1.96 H new ATOM 2213 N PHE A 135 1.563 2.393 -3.800 1.00 0.44 N ATOM 2214 CA PHE A 135 1.172 3.103 -5.015 1.00 0.45 C ATOM 2215 C PHE A 135 2.131 2.768 -6.161 1.00 0.42 C ATOM 2216 O PHE A 135 3.355 2.788 -6.002 1.00 0.38 O ATOM 2217 CB PHE A 135 1.090 4.618 -4.775 1.00 0.47 C ATOM 2218 CG PHE A 135 0.220 5.064 -3.612 1.00 0.54 C ATOM 2219 CD1 PHE A 135 -1.138 4.698 -3.577 1.00 2.22 C ATOM 2220 CD2 PHE A 135 0.748 5.872 -2.586 1.00 1.77 C ATOM 2221 CE1 PHE A 135 -1.963 5.118 -2.519 1.00 2.43 C ATOM 2222 CE2 PHE A 135 -0.076 6.292 -1.525 1.00 1.71 C ATOM 2223 CZ PHE A 135 -1.429 5.913 -1.491 1.00 1.04 C ATOM 0 H PHE A 135 2.395 2.773 -3.348 1.00 0.44 H new ATOM 0 HA PHE A 135 0.174 2.769 -5.300 1.00 0.45 H new ATOM 0 HB2 PHE A 135 2.100 4.995 -4.612 1.00 0.47 H new ATOM 0 HB3 PHE A 135 0.716 5.090 -5.684 1.00 0.47 H new ATOM 0 HD1 PHE A 135 -1.550 4.090 -4.369 1.00 2.22 H new ATOM 0 HD2 PHE A 135 1.786 6.169 -2.614 1.00 1.77 H new ATOM 0 HE1 PHE A 135 -3.004 4.831 -2.497 1.00 2.43 H new ATOM 0 HE2 PHE A 135 0.332 6.906 -0.736 1.00 1.71 H new ATOM 0 HZ PHE A 135 -2.059 6.233 -0.674 1.00 1.04 H new ATOM 2233 N SER A 136 1.550 2.506 -7.328 1.00 0.46 N ATOM 2234 CA SER A 136 2.234 2.509 -8.619 1.00 0.42 C ATOM 2235 C SER A 136 2.263 3.933 -9.193 1.00 0.49 C ATOM 2236 O SER A 136 1.446 4.779 -8.819 1.00 0.70 O ATOM 2237 CB SER A 136 1.470 1.595 -9.586 1.00 0.49 C ATOM 2238 OG SER A 136 2.092 1.560 -10.854 1.00 1.63 O ATOM 0 H SER A 136 0.559 2.278 -7.405 1.00 0.46 H new ATOM 0 HA SER A 136 3.256 2.153 -8.489 1.00 0.42 H new ATOM 0 HB2 SER A 136 1.420 0.587 -9.175 1.00 0.49 H new ATOM 0 HB3 SER A 136 0.444 1.948 -9.691 1.00 0.49 H new ATOM 0 HG SER A 136 1.429 1.754 -11.549 1.00 1.63 H new ATOM 2244 N ARG A 137 3.160 4.188 -10.146 1.00 0.46 N ATOM 2245 CA ARG A 137 3.154 5.365 -11.006 1.00 0.49 C ATOM 2246 C ARG A 137 3.634 4.988 -12.417 1.00 0.55 C ATOM 2247 O ARG A 137 4.581 4.213 -12.577 1.00 0.57 O ATOM 2248 CB ARG A 137 3.999 6.498 -10.379 1.00 0.61 C ATOM 2249 CG ARG A 137 3.260 7.821 -10.491 1.00 2.14 C ATOM 2250 CD ARG A 137 3.968 9.093 -10.023 1.00 2.54 C ATOM 2251 NE ARG A 137 3.218 10.250 -10.543 1.00 3.91 N ATOM 2252 CZ ARG A 137 3.334 11.527 -10.222 1.00 4.78 C ATOM 2253 NH1 ARG A 137 4.195 11.963 -9.326 1.00 4.73 N ATOM 2254 NH2 ARG A 137 2.546 12.385 -10.824 1.00 6.20 N ATOM 0 H ARG A 137 3.936 3.557 -10.345 1.00 0.46 H new ATOM 0 HA ARG A 137 2.136 5.743 -11.098 1.00 0.49 H new ATOM 0 HB2 ARG A 137 4.203 6.274 -9.332 1.00 0.61 H new ATOM 0 HB3 ARG A 137 4.962 6.566 -10.884 1.00 0.61 H new ATOM 0 HG2 ARG A 137 2.985 7.960 -11.537 1.00 2.14 H new ATOM 0 HG3 ARG A 137 2.332 7.731 -9.927 1.00 2.14 H new ATOM 0 HD2 ARG A 137 4.012 9.126 -8.934 1.00 2.54 H new ATOM 0 HD3 ARG A 137 4.996 9.112 -10.385 1.00 2.54 H new ATOM 0 HE ARG A 137 2.512 10.036 -11.248 1.00 3.91 H new ATOM 0 HH11 ARG A 137 4.809 11.305 -8.846 1.00 4.73 H new ATOM 0 HH12 ARG A 137 4.248 12.959 -9.112 1.00 4.73 H new ATOM 0 HH21 ARG A 137 1.871 12.059 -11.516 1.00 6.20 H new ATOM 0 HH22 ARG A 137 2.608 13.378 -10.601 1.00 6.20 H new ATOM 2268 N CYS A 138 2.998 5.557 -13.445 1.00 0.65 N ATOM 2269 CA CYS A 138 3.436 5.467 -14.848 1.00 0.76 C ATOM 2270 C CYS A 138 4.651 6.385 -15.125 1.00 0.71 C ATOM 2271 O CYS A 138 5.401 6.177 -16.076 1.00 0.79 O ATOM 2272 CB CYS A 138 2.214 5.742 -15.742 1.00 1.03 C ATOM 2273 SG CYS A 138 2.594 5.409 -17.488 1.00 3.06 S ATOM 0 H CYS A 138 2.146 6.105 -13.327 1.00 0.65 H new ATOM 0 HA CYS A 138 3.804 4.467 -15.079 1.00 0.76 H new ATOM 0 HB2 CYS A 138 1.378 5.119 -15.423 1.00 1.03 H new ATOM 0 HB3 CYS A 138 1.901 6.780 -15.626 1.00 1.03 H new ATOM 0 HG CYS A 138 3.868 5.569 -17.693 1.00 3.06 H new ATOM 2279 N SER A 139 4.921 7.354 -14.250 1.00 0.70 N ATOM 2280 CA SER A 139 6.205 8.064 -14.199 1.00 0.75 C ATOM 2281 C SER A 139 7.354 7.084 -13.865 1.00 0.64 C ATOM 2282 O SER A 139 7.347 6.436 -12.818 1.00 0.76 O ATOM 2283 CB SER A 139 6.147 9.195 -13.154 1.00 0.90 C ATOM 2284 OG SER A 139 4.925 9.921 -13.216 1.00 2.01 O ATOM 0 H SER A 139 4.251 7.673 -13.550 1.00 0.70 H new ATOM 0 HA SER A 139 6.398 8.501 -15.179 1.00 0.75 H new ATOM 0 HB2 SER A 139 6.266 8.772 -12.156 1.00 0.90 H new ATOM 0 HB3 SER A 139 6.982 9.878 -13.313 1.00 0.90 H new ATOM 0 HG SER A 139 4.929 10.627 -12.536 1.00 2.01 H new ATOM 2290 N ALA A 140 8.358 6.975 -14.745 1.00 0.58 N ATOM 2291 CA ALA A 140 9.520 6.079 -14.593 1.00 0.62 C ATOM 2292 C ALA A 140 10.643 6.657 -13.699 1.00 0.67 C ATOM 2293 O ALA A 140 11.728 6.077 -13.593 1.00 0.81 O ATOM 2294 CB ALA A 140 10.037 5.745 -15.996 1.00 0.70 C ATOM 0 H ALA A 140 8.389 7.521 -15.606 1.00 0.58 H new ATOM 0 HA ALA A 140 9.195 5.178 -14.072 1.00 0.62 H new ATOM 0 HB1 ALA A 140 10.899 5.082 -15.918 1.00 0.70 H new ATOM 0 HB2 ALA A 140 9.250 5.251 -16.566 1.00 0.70 H new ATOM 0 HB3 ALA A 140 10.331 6.664 -16.504 1.00 0.70 H new ATOM 2300 N ARG A 141 10.393 7.831 -13.108 1.00 0.67 N ATOM 2301 CA ARG A 141 11.345 8.664 -12.374 1.00 0.77 C ATOM 2302 C ARG A 141 11.979 7.903 -11.198 1.00 0.73 C ATOM 2303 O ARG A 141 11.286 7.224 -10.438 1.00 0.84 O ATOM 2304 CB ARG A 141 10.605 9.914 -11.856 1.00 0.94 C ATOM 2305 CG ARG A 141 10.465 11.096 -12.833 1.00 1.18 C ATOM 2306 CD ARG A 141 9.855 10.769 -14.204 1.00 1.46 C ATOM 2307 NE ARG A 141 9.427 12.001 -14.896 1.00 2.30 N ATOM 2308 CZ ARG A 141 9.004 12.109 -16.151 1.00 2.89 C ATOM 2309 NH1 ARG A 141 9.026 11.095 -16.992 1.00 3.31 N ATOM 2310 NH2 ARG A 141 8.539 13.262 -16.584 1.00 3.68 N ATOM 0 H ARG A 141 9.462 8.248 -13.133 1.00 0.67 H new ATOM 0 HA ARG A 141 12.153 8.950 -13.048 1.00 0.77 H new ATOM 0 HB2 ARG A 141 9.605 9.611 -11.544 1.00 0.94 H new ATOM 0 HB3 ARG A 141 11.123 10.270 -10.965 1.00 0.94 H new ATOM 0 HG2 ARG A 141 9.852 11.863 -12.359 1.00 1.18 H new ATOM 0 HG3 ARG A 141 11.452 11.530 -12.991 1.00 1.18 H new ATOM 0 HD2 ARG A 141 10.586 10.239 -14.815 1.00 1.46 H new ATOM 0 HD3 ARG A 141 9.002 10.103 -14.078 1.00 1.46 H new ATOM 0 HE ARG A 141 9.460 12.863 -14.352 1.00 2.30 H new ATOM 0 HH11 ARG A 141 9.377 10.187 -16.687 1.00 3.31 H new ATOM 0 HH12 ARG A 141 8.692 11.218 -17.948 1.00 3.31 H new ATOM 0 HH21 ARG A 141 8.505 14.066 -15.957 1.00 3.68 H new ATOM 0 HH22 ARG A 141 8.213 13.351 -17.546 1.00 3.68 H new ATOM 2324 N GLU A 142 13.293 8.049 -11.041 1.00 0.66 N ATOM 2325 CA GLU A 142 14.066 7.433 -9.954 1.00 0.64 C ATOM 2326 C GLU A 142 13.627 7.959 -8.575 1.00 0.58 C ATOM 2327 O GLU A 142 13.259 9.126 -8.425 1.00 0.62 O ATOM 2328 CB GLU A 142 15.575 7.666 -10.152 1.00 0.72 C ATOM 2329 CG GLU A 142 16.107 7.009 -11.433 1.00 2.15 C ATOM 2330 CD GLU A 142 17.636 7.129 -11.521 1.00 2.49 C ATOM 2331 OE1 GLU A 142 18.140 8.192 -11.957 1.00 3.24 O ATOM 2332 OE2 GLU A 142 18.342 6.157 -11.165 1.00 2.94 O ATOM 0 H GLU A 142 13.865 8.608 -11.675 1.00 0.66 H new ATOM 0 HA GLU A 142 13.868 6.362 -9.986 1.00 0.64 H new ATOM 0 HB2 GLU A 142 15.772 8.737 -10.188 1.00 0.72 H new ATOM 0 HB3 GLU A 142 16.116 7.271 -9.293 1.00 0.72 H new ATOM 0 HG2 GLU A 142 15.820 5.958 -11.453 1.00 2.15 H new ATOM 0 HG3 GLU A 142 15.651 7.480 -12.304 1.00 2.15 H new ATOM 2339 N ILE A 143 13.679 7.095 -7.556 1.00 0.64 N ATOM 2340 CA ILE A 143 13.281 7.424 -6.177 1.00 0.64 C ATOM 2341 C ILE A 143 14.461 8.051 -5.394 1.00 0.76 C ATOM 2342 O ILE A 143 15.530 7.427 -5.328 1.00 0.92 O ATOM 2343 CB ILE A 143 12.715 6.152 -5.493 1.00 0.67 C ATOM 2344 CG1 ILE A 143 11.286 5.813 -5.984 1.00 0.78 C ATOM 2345 CG2 ILE A 143 12.729 6.245 -3.965 1.00 0.99 C ATOM 2346 CD1 ILE A 143 10.176 6.718 -5.424 1.00 1.31 C ATOM 0 H ILE A 143 14.003 6.134 -7.664 1.00 0.64 H new ATOM 0 HA ILE A 143 12.494 8.178 -6.189 1.00 0.64 H new ATOM 0 HB ILE A 143 13.385 5.344 -5.786 1.00 0.67 H new ATOM 0 HG12 ILE A 143 11.268 5.872 -7.072 1.00 0.78 H new ATOM 0 HG13 ILE A 143 11.062 4.780 -5.717 1.00 0.78 H new ATOM 0 HG21 ILE A 143 12.322 5.327 -3.541 1.00 0.99 H new ATOM 0 HG22 ILE A 143 13.753 6.382 -3.618 1.00 0.99 H new ATOM 0 HG23 ILE A 143 12.122 7.092 -3.646 1.00 0.99 H new ATOM 0 HD11 ILE A 143 9.213 6.403 -5.825 1.00 1.31 H new ATOM 0 HD12 ILE A 143 10.159 6.642 -4.337 1.00 1.31 H new ATOM 0 HD13 ILE A 143 10.369 7.751 -5.713 1.00 1.31 H new ATOM 2358 N PRO A 144 14.283 9.243 -4.777 1.00 0.93 N ATOM 2359 CA PRO A 144 15.205 9.828 -3.804 1.00 1.16 C ATOM 2360 C PRO A 144 14.808 9.342 -2.395 1.00 1.12 C ATOM 2361 O PRO A 144 14.609 8.150 -2.182 1.00 1.80 O ATOM 2362 CB PRO A 144 15.058 11.338 -4.049 1.00 1.49 C ATOM 2363 CG PRO A 144 13.560 11.489 -4.311 1.00 1.47 C ATOM 2364 CD PRO A 144 13.205 10.194 -5.046 1.00 1.16 C ATOM 0 HA PRO A 144 16.253 9.543 -3.899 1.00 1.16 H new ATOM 0 HB2 PRO A 144 15.380 11.922 -3.186 1.00 1.49 H new ATOM 0 HB3 PRO A 144 15.654 11.671 -4.899 1.00 1.49 H new ATOM 0 HG2 PRO A 144 12.997 11.594 -3.384 1.00 1.47 H new ATOM 0 HG3 PRO A 144 13.343 12.369 -4.917 1.00 1.47 H new ATOM 0 HD2 PRO A 144 12.249 9.802 -4.698 1.00 1.16 H new ATOM 0 HD3 PRO A 144 13.106 10.373 -6.117 1.00 1.16 H new ATOM 2372 N ILE A 145 14.614 10.249 -1.433 1.00 1.13 N ATOM 2373 CA ILE A 145 13.945 10.022 -0.131 1.00 1.10 C ATOM 2374 C ILE A 145 12.411 9.923 -0.310 1.00 1.22 C ATOM 2375 O ILE A 145 11.624 10.583 0.364 1.00 2.13 O ATOM 2376 CB ILE A 145 14.460 11.116 0.841 1.00 1.08 C ATOM 2377 CG1 ILE A 145 14.327 10.813 2.355 1.00 1.03 C ATOM 2378 CG2 ILE A 145 13.992 12.534 0.452 1.00 1.20 C ATOM 2379 CD1 ILE A 145 12.935 10.833 3.002 1.00 0.96 C ATOM 0 H ILE A 145 14.932 11.212 -1.538 1.00 1.13 H new ATOM 0 HA ILE A 145 14.197 9.060 0.315 1.00 1.10 H new ATOM 0 HB ILE A 145 15.540 11.089 0.694 1.00 1.08 H new ATOM 0 HG12 ILE A 145 14.757 9.827 2.532 1.00 1.03 H new ATOM 0 HG13 ILE A 145 14.948 11.532 2.890 1.00 1.03 H new ATOM 0 HG21 ILE A 145 14.384 13.256 1.169 1.00 1.20 H new ATOM 0 HG22 ILE A 145 14.359 12.777 -0.545 1.00 1.20 H new ATOM 0 HG23 ILE A 145 12.903 12.572 0.457 1.00 1.20 H new ATOM 0 HD11 ILE A 145 13.024 10.600 4.063 1.00 0.96 H new ATOM 0 HD12 ILE A 145 12.493 11.822 2.883 1.00 0.96 H new ATOM 0 HD13 ILE A 145 12.299 10.091 2.520 1.00 0.96 H new ATOM 2391 N LEU A 146 11.985 9.201 -1.354 1.00 0.71 N ATOM 2392 CA LEU A 146 10.609 9.054 -1.888 1.00 0.70 C ATOM 2393 C LEU A 146 10.129 10.318 -2.629 1.00 0.83 C ATOM 2394 O LEU A 146 9.443 10.225 -3.644 1.00 1.07 O ATOM 2395 CB LEU A 146 9.621 8.692 -0.749 1.00 1.02 C ATOM 2396 CG LEU A 146 8.561 7.648 -1.139 1.00 0.96 C ATOM 2397 CD1 LEU A 146 9.204 6.270 -1.252 1.00 1.69 C ATOM 2398 CD2 LEU A 146 7.497 7.511 -0.049 1.00 1.83 C ATOM 0 H LEU A 146 12.648 8.652 -1.901 1.00 0.71 H new ATOM 0 HA LEU A 146 10.634 8.242 -2.615 1.00 0.70 H new ATOM 0 HB2 LEU A 146 10.188 8.316 0.102 1.00 1.02 H new ATOM 0 HB3 LEU A 146 9.116 9.600 -0.420 1.00 1.02 H new ATOM 0 HG LEU A 146 8.123 7.980 -2.080 1.00 0.96 H new ATOM 0 HD11 LEU A 146 8.447 5.537 -1.528 1.00 1.69 H new ATOM 0 HD12 LEU A 146 9.982 6.293 -2.015 1.00 1.69 H new ATOM 0 HD13 LEU A 146 9.644 5.994 -0.294 1.00 1.69 H new ATOM 0 HD21 LEU A 146 6.760 6.766 -0.351 1.00 1.83 H new ATOM 0 HD22 LEU A 146 7.969 7.198 0.882 1.00 1.83 H new ATOM 0 HD23 LEU A 146 7.003 8.471 0.100 1.00 1.83 H new ATOM 2410 N SER A 147 10.519 11.464 -2.079 1.00 0.91 N ATOM 2411 CA SER A 147 9.987 12.832 -2.137 1.00 1.09 C ATOM 2412 C SER A 147 9.442 13.081 -0.726 1.00 1.09 C ATOM 2413 O SER A 147 8.543 12.371 -0.281 1.00 1.06 O ATOM 2414 CB SER A 147 8.892 13.093 -3.183 1.00 1.15 C ATOM 2415 OG SER A 147 9.381 12.927 -4.506 1.00 1.66 O ATOM 0 H SER A 147 11.349 11.455 -1.486 1.00 0.91 H new ATOM 0 HA SER A 147 10.783 13.507 -2.452 1.00 1.09 H new ATOM 0 HB2 SER A 147 8.058 12.412 -3.015 1.00 1.15 H new ATOM 0 HB3 SER A 147 8.506 14.105 -3.062 1.00 1.15 H new ATOM 0 HG SER A 147 9.569 11.979 -4.669 1.00 1.66 H new ATOM 2421 N ASP A 148 10.007 14.030 0.021 1.00 1.14 N ATOM 2422 CA ASP A 148 9.833 14.105 1.485 1.00 1.13 C ATOM 2423 C ASP A 148 8.352 14.293 1.891 1.00 1.09 C ATOM 2424 O ASP A 148 7.859 13.691 2.845 1.00 1.13 O ATOM 2425 CB ASP A 148 10.730 15.241 2.009 1.00 1.31 C ATOM 2426 CG ASP A 148 11.139 15.056 3.480 1.00 1.84 C ATOM 2427 OD1 ASP A 148 10.285 15.245 4.376 1.00 2.89 O ATOM 2428 OD2 ASP A 148 12.335 14.765 3.730 1.00 3.07 O ATOM 0 H ASP A 148 10.597 14.768 -0.363 1.00 1.14 H new ATOM 0 HA ASP A 148 10.133 13.161 1.939 1.00 1.13 H new ATOM 0 HB2 ASP A 148 11.627 15.301 1.393 1.00 1.31 H new ATOM 0 HB3 ASP A 148 10.205 16.190 1.901 1.00 1.31 H new ATOM 2433 N GLU A 149 7.619 15.059 1.077 1.00 1.08 N ATOM 2434 CA GLU A 149 6.181 15.316 1.175 1.00 1.16 C ATOM 2435 C GLU A 149 5.332 14.057 0.867 1.00 1.15 C ATOM 2436 O GLU A 149 4.244 13.903 1.431 1.00 1.38 O ATOM 2437 CB GLU A 149 5.876 16.532 0.273 1.00 1.25 C ATOM 2438 CG GLU A 149 4.497 17.181 0.460 1.00 1.68 C ATOM 2439 CD GLU A 149 3.353 16.524 -0.325 1.00 2.43 C ATOM 2440 OE1 GLU A 149 3.587 15.730 -1.263 1.00 3.32 O ATOM 2441 OE2 GLU A 149 2.173 16.799 -0.007 1.00 3.05 O ATOM 0 H GLU A 149 8.040 15.545 0.285 1.00 1.08 H new ATOM 0 HA GLU A 149 5.896 15.558 2.199 1.00 1.16 H new ATOM 0 HB2 GLU A 149 6.639 17.290 0.449 1.00 1.25 H new ATOM 0 HB3 GLU A 149 5.971 16.220 -0.767 1.00 1.25 H new ATOM 0 HG2 GLU A 149 4.246 17.163 1.520 1.00 1.68 H new ATOM 0 HG3 GLU A 149 4.563 18.228 0.166 1.00 1.68 H new ATOM 2448 N LEU A 150 5.814 13.137 0.016 1.00 0.94 N ATOM 2449 CA LEU A 150 5.222 11.804 -0.181 1.00 0.79 C ATOM 2450 C LEU A 150 5.628 10.833 0.938 1.00 0.70 C ATOM 2451 O LEU A 150 4.781 10.064 1.379 1.00 0.65 O ATOM 2452 CB LEU A 150 5.601 11.272 -1.582 1.00 0.77 C ATOM 2453 CG LEU A 150 5.106 9.849 -1.941 1.00 0.76 C ATOM 2454 CD1 LEU A 150 3.598 9.628 -1.754 1.00 1.61 C ATOM 2455 CD2 LEU A 150 5.502 9.517 -3.387 1.00 1.84 C ATOM 0 H LEU A 150 6.638 13.301 -0.563 1.00 0.94 H new ATOM 0 HA LEU A 150 4.137 11.888 -0.129 1.00 0.79 H new ATOM 0 HB2 LEU A 150 5.212 11.966 -2.327 1.00 0.77 H new ATOM 0 HB3 LEU A 150 6.687 11.287 -1.670 1.00 0.77 H new ATOM 0 HG LEU A 150 5.593 9.177 -1.234 1.00 0.76 H new ATOM 0 HD11 LEU A 150 3.343 8.605 -2.029 1.00 1.61 H new ATOM 0 HD12 LEU A 150 3.332 9.800 -0.711 1.00 1.61 H new ATOM 0 HD13 LEU A 150 3.047 10.322 -2.389 1.00 1.61 H new ATOM 0 HD21 LEU A 150 5.153 8.515 -3.639 1.00 1.84 H new ATOM 0 HD22 LEU A 150 5.048 10.240 -4.064 1.00 1.84 H new ATOM 0 HD23 LEU A 150 6.587 9.559 -3.486 1.00 1.84 H new ATOM 2467 N GLN A 151 6.865 10.866 1.439 1.00 0.72 N ATOM 2468 CA GLN A 151 7.327 9.989 2.528 1.00 0.72 C ATOM 2469 C GLN A 151 6.519 10.233 3.815 1.00 0.81 C ATOM 2470 O GLN A 151 6.057 9.292 4.461 1.00 0.81 O ATOM 2471 CB GLN A 151 8.841 10.182 2.729 1.00 0.86 C ATOM 2472 CG GLN A 151 9.404 9.659 4.066 1.00 0.86 C ATOM 2473 CD GLN A 151 9.106 8.184 4.365 1.00 1.96 C ATOM 2474 OE1 GLN A 151 8.882 7.362 3.485 1.00 2.87 O ATOM 2475 NE2 GLN A 151 9.100 7.786 5.620 1.00 2.72 N ATOM 0 H GLN A 151 7.583 11.506 1.100 1.00 0.72 H new ATOM 0 HA GLN A 151 7.155 8.947 2.259 1.00 0.72 H new ATOM 0 HB2 GLN A 151 9.365 9.683 1.914 1.00 0.86 H new ATOM 0 HB3 GLN A 151 9.068 11.245 2.650 1.00 0.86 H new ATOM 0 HG2 GLN A 151 10.484 9.803 4.069 1.00 0.86 H new ATOM 0 HG3 GLN A 151 8.999 10.267 4.875 1.00 0.86 H new ATOM 0 HE21 GLN A 151 9.284 8.455 6.368 1.00 2.72 H new ATOM 0 HE22 GLN A 151 8.911 6.809 5.844 1.00 2.72 H new ATOM 2484 N LEU A 152 6.295 11.505 4.179 1.00 0.93 N ATOM 2485 CA LEU A 152 5.512 11.874 5.362 1.00 1.04 C ATOM 2486 C LEU A 152 4.018 11.619 5.140 1.00 1.01 C ATOM 2487 O LEU A 152 3.363 11.055 6.021 1.00 1.05 O ATOM 2488 CB LEU A 152 5.810 13.335 5.755 1.00 1.15 C ATOM 2489 CG LEU A 152 7.257 13.577 6.234 1.00 1.23 C ATOM 2490 CD1 LEU A 152 7.445 15.074 6.514 1.00 1.30 C ATOM 2491 CD2 LEU A 152 7.609 12.779 7.502 1.00 1.26 C ATOM 0 H LEU A 152 6.653 12.306 3.659 1.00 0.93 H new ATOM 0 HA LEU A 152 5.809 11.240 6.197 1.00 1.04 H new ATOM 0 HB2 LEU A 152 5.610 13.978 4.898 1.00 1.15 H new ATOM 0 HB3 LEU A 152 5.122 13.635 6.546 1.00 1.15 H new ATOM 0 HG LEU A 152 7.924 13.236 5.442 1.00 1.23 H new ATOM 0 HD11 LEU A 152 8.465 15.255 6.853 1.00 1.30 H new ATOM 0 HD12 LEU A 152 7.260 15.641 5.602 1.00 1.30 H new ATOM 0 HD13 LEU A 152 6.744 15.391 7.286 1.00 1.30 H new ATOM 0 HD21 LEU A 152 8.639 12.990 7.791 1.00 1.26 H new ATOM 0 HD22 LEU A 152 6.939 13.068 8.312 1.00 1.26 H new ATOM 0 HD23 LEU A 152 7.499 11.713 7.303 1.00 1.26 H new ATOM 2503 N LYS A 153 3.473 11.967 3.966 1.00 0.96 N ATOM 2504 CA LYS A 153 2.076 11.654 3.639 1.00 0.93 C ATOM 2505 C LYS A 153 1.821 10.143 3.633 1.00 0.80 C ATOM 2506 O LYS A 153 0.782 9.714 4.117 1.00 0.82 O ATOM 2507 CB LYS A 153 1.672 12.296 2.302 1.00 0.98 C ATOM 2508 CG LYS A 153 0.153 12.185 2.069 1.00 1.52 C ATOM 2509 CD LYS A 153 -0.340 12.621 0.685 1.00 2.46 C ATOM 2510 CE LYS A 153 0.051 14.048 0.279 1.00 2.57 C ATOM 2511 NZ LYS A 153 1.418 14.113 -0.290 1.00 3.25 N ATOM 0 H LYS A 153 3.976 12.463 3.230 1.00 0.96 H new ATOM 0 HA LYS A 153 1.449 12.081 4.421 1.00 0.93 H new ATOM 0 HB2 LYS A 153 1.968 13.345 2.295 1.00 0.98 H new ATOM 0 HB3 LYS A 153 2.205 11.809 1.485 1.00 0.98 H new ATOM 0 HG2 LYS A 153 -0.146 11.150 2.232 1.00 1.52 H new ATOM 0 HG3 LYS A 153 -0.357 12.786 2.822 1.00 1.52 H new ATOM 0 HD2 LYS A 153 0.051 11.927 -0.059 1.00 2.46 H new ATOM 0 HD3 LYS A 153 -1.426 12.536 0.659 1.00 2.46 H new ATOM 0 HE2 LYS A 153 -0.664 14.425 -0.453 1.00 2.57 H new ATOM 0 HE3 LYS A 153 -0.010 14.701 1.149 1.00 2.57 H new ATOM 0 HZ1 LYS A 153 1.475 14.899 -0.969 1.00 3.25 H new ATOM 0 HZ2 LYS A 153 2.106 14.266 0.475 1.00 3.25 H new ATOM 0 HZ3 LYS A 153 1.634 13.220 -0.776 1.00 3.25 H new ATOM 2525 N MET A 154 2.764 9.324 3.162 1.00 0.69 N ATOM 2526 CA MET A 154 2.689 7.860 3.234 1.00 0.61 C ATOM 2527 C MET A 154 2.586 7.388 4.686 1.00 0.80 C ATOM 2528 O MET A 154 1.706 6.589 4.998 1.00 0.89 O ATOM 2529 CB MET A 154 3.909 7.246 2.517 1.00 0.55 C ATOM 2530 CG MET A 154 4.122 5.767 2.863 1.00 2.02 C ATOM 2531 SD MET A 154 5.557 5.025 2.064 1.00 2.88 S ATOM 2532 CE MET A 154 4.755 4.423 0.567 1.00 1.07 C ATOM 0 H MET A 154 3.615 9.663 2.713 1.00 0.69 H new ATOM 0 HA MET A 154 1.786 7.521 2.727 1.00 0.61 H new ATOM 0 HB2 MET A 154 3.780 7.347 1.439 1.00 0.55 H new ATOM 0 HB3 MET A 154 4.803 7.809 2.785 1.00 0.55 H new ATOM 0 HG2 MET A 154 4.230 5.669 3.943 1.00 2.02 H new ATOM 0 HG3 MET A 154 3.231 5.206 2.580 1.00 2.02 H new ATOM 0 HE1 MET A 154 5.429 3.749 0.039 1.00 1.07 H new ATOM 0 HE2 MET A 154 3.842 3.889 0.833 1.00 1.07 H new ATOM 0 HE3 MET A 154 4.507 5.266 -0.078 1.00 1.07 H new ATOM 2542 N GLN A 155 3.464 7.869 5.568 1.00 0.87 N ATOM 2543 CA GLN A 155 3.500 7.463 6.978 1.00 1.00 C ATOM 2544 C GLN A 155 2.230 7.875 7.745 1.00 1.06 C ATOM 2545 O GLN A 155 1.791 7.164 8.651 1.00 1.18 O ATOM 2546 CB GLN A 155 4.796 7.996 7.613 1.00 1.05 C ATOM 2547 CG GLN A 155 5.104 7.347 8.975 1.00 1.42 C ATOM 2548 CD GLN A 155 6.452 7.794 9.556 1.00 1.68 C ATOM 2549 OE1 GLN A 155 7.452 7.944 8.864 1.00 2.46 O ATOM 2550 NE2 GLN A 155 6.543 8.022 10.851 1.00 2.93 N ATOM 0 H GLN A 155 4.177 8.557 5.324 1.00 0.87 H new ATOM 0 HA GLN A 155 3.508 6.375 7.039 1.00 1.00 H new ATOM 0 HB2 GLN A 155 5.629 7.816 6.933 1.00 1.05 H new ATOM 0 HB3 GLN A 155 4.716 9.076 7.740 1.00 1.05 H new ATOM 0 HG2 GLN A 155 4.310 7.596 9.679 1.00 1.42 H new ATOM 0 HG3 GLN A 155 5.103 6.263 8.864 1.00 1.42 H new ATOM 0 HE21 GLN A 155 5.725 7.904 11.448 1.00 2.93 H new ATOM 0 HE22 GLN A 155 7.432 8.316 11.256 1.00 2.93 H new ATOM 2559 N LEU A 156 1.610 8.998 7.365 1.00 1.05 N ATOM 2560 CA LEU A 156 0.229 9.327 7.722 1.00 1.11 C ATOM 2561 C LEU A 156 -0.748 8.290 7.153 1.00 0.91 C ATOM 2562 O LEU A 156 -1.391 7.563 7.912 1.00 0.82 O ATOM 2563 CB LEU A 156 -0.044 10.774 7.235 1.00 1.25 C ATOM 2564 CG LEU A 156 -1.525 11.170 7.062 1.00 1.60 C ATOM 2565 CD1 LEU A 156 -2.204 11.439 8.403 1.00 1.55 C ATOM 2566 CD2 LEU A 156 -1.658 12.394 6.149 1.00 3.74 C ATOM 0 H LEU A 156 2.061 9.712 6.793 1.00 1.05 H new ATOM 0 HA LEU A 156 0.077 9.290 8.801 1.00 1.11 H new ATOM 0 HB2 LEU A 156 0.414 11.465 7.942 1.00 1.25 H new ATOM 0 HB3 LEU A 156 0.461 10.914 6.279 1.00 1.25 H new ATOM 0 HG LEU A 156 -2.030 10.324 6.597 1.00 1.60 H new ATOM 0 HD11 LEU A 156 -3.245 11.715 8.235 1.00 1.55 H new ATOM 0 HD12 LEU A 156 -2.161 10.541 9.019 1.00 1.55 H new ATOM 0 HD13 LEU A 156 -1.691 12.254 8.914 1.00 1.55 H new ATOM 0 HD21 LEU A 156 -2.711 12.655 6.041 1.00 3.74 H new ATOM 0 HD22 LEU A 156 -1.119 13.234 6.586 1.00 3.74 H new ATOM 0 HD23 LEU A 156 -1.239 12.164 5.169 1.00 3.74 H new ATOM 2578 N LEU A 157 -0.832 8.187 5.823 1.00 0.89 N ATOM 2579 CA LEU A 157 -1.900 7.467 5.127 1.00 0.92 C ATOM 2580 C LEU A 157 -1.896 5.997 5.508 1.00 0.94 C ATOM 2581 O LEU A 157 -2.961 5.443 5.760 1.00 0.97 O ATOM 2582 CB LEU A 157 -1.809 7.661 3.596 1.00 0.99 C ATOM 2583 CG LEU A 157 -2.956 8.509 3.014 1.00 1.14 C ATOM 2584 CD1 LEU A 157 -3.031 9.939 3.563 1.00 1.90 C ATOM 2585 CD2 LEU A 157 -2.833 8.568 1.484 1.00 1.87 C ATOM 0 H LEU A 157 -0.150 8.608 5.192 1.00 0.89 H new ATOM 0 HA LEU A 157 -2.853 7.890 5.445 1.00 0.92 H new ATOM 0 HB2 LEU A 157 -0.858 8.136 3.354 1.00 0.99 H new ATOM 0 HB3 LEU A 157 -1.809 6.684 3.113 1.00 0.99 H new ATOM 0 HG LEU A 157 -3.875 8.011 3.322 1.00 1.14 H new ATOM 0 HD11 LEU A 157 -3.866 10.463 3.099 1.00 1.90 H new ATOM 0 HD12 LEU A 157 -3.177 9.907 4.643 1.00 1.90 H new ATOM 0 HD13 LEU A 157 -2.103 10.464 3.338 1.00 1.90 H new ATOM 0 HD21 LEU A 157 -3.646 9.169 1.077 1.00 1.87 H new ATOM 0 HD22 LEU A 157 -1.878 9.018 1.213 1.00 1.87 H new ATOM 0 HD23 LEU A 157 -2.887 7.559 1.075 1.00 1.87 H new ATOM 2597 N VAL A 158 -0.718 5.385 5.596 1.00 0.94 N ATOM 2598 CA VAL A 158 -0.597 3.987 5.997 1.00 0.94 C ATOM 2599 C VAL A 158 -1.105 3.740 7.411 1.00 0.95 C ATOM 2600 O VAL A 158 -1.882 2.808 7.570 1.00 1.00 O ATOM 2601 CB VAL A 158 0.819 3.417 5.786 1.00 0.98 C ATOM 2602 CG1 VAL A 158 1.823 3.907 6.844 1.00 1.11 C ATOM 2603 CG2 VAL A 158 0.706 1.880 5.743 1.00 0.98 C ATOM 0 H VAL A 158 0.172 5.840 5.393 1.00 0.94 H new ATOM 0 HA VAL A 158 -1.251 3.433 5.324 1.00 0.94 H new ATOM 0 HB VAL A 158 1.222 3.783 4.842 1.00 0.98 H new ATOM 0 HG11 VAL A 158 2.803 3.473 6.644 1.00 1.11 H new ATOM 0 HG12 VAL A 158 1.893 4.994 6.804 1.00 1.11 H new ATOM 0 HG13 VAL A 158 1.486 3.602 7.835 1.00 1.11 H new ATOM 0 HG21 VAL A 158 1.695 1.446 5.594 1.00 0.98 H new ATOM 0 HG22 VAL A 158 0.289 1.519 6.683 1.00 0.98 H new ATOM 0 HG23 VAL A 158 0.054 1.586 4.921 1.00 0.98 H new ATOM 2613 N ARG A 159 -0.741 4.550 8.421 1.00 0.89 N ATOM 2614 CA ARG A 159 -1.274 4.346 9.778 1.00 0.92 C ATOM 2615 C ARG A 159 -2.787 4.570 9.791 1.00 1.01 C ATOM 2616 O ARG A 159 -3.511 3.732 10.329 1.00 1.11 O ATOM 2617 CB ARG A 159 -0.469 5.156 10.817 1.00 0.71 C ATOM 2618 CG ARG A 159 -1.205 5.796 12.013 1.00 1.10 C ATOM 2619 CD ARG A 159 -2.021 4.948 12.998 1.00 1.87 C ATOM 2620 NE ARG A 159 -1.209 3.947 13.710 1.00 2.78 N ATOM 2621 CZ ARG A 159 -1.652 3.141 14.669 1.00 3.92 C ATOM 2622 NH1 ARG A 159 -2.906 3.162 15.077 1.00 4.50 N ATOM 2623 NH2 ARG A 159 -0.827 2.296 15.247 1.00 4.90 N ATOM 0 H ARG A 159 -0.095 5.334 8.327 1.00 0.89 H new ATOM 0 HA ARG A 159 -1.139 3.309 10.086 1.00 0.92 H new ATOM 0 HB2 ARG A 159 0.300 4.498 11.220 1.00 0.71 H new ATOM 0 HB3 ARG A 159 0.044 5.956 10.283 1.00 0.71 H new ATOM 0 HG2 ARG A 159 -0.455 6.328 12.598 1.00 1.10 H new ATOM 0 HG3 ARG A 159 -1.882 6.546 11.604 1.00 1.10 H new ATOM 0 HD2 ARG A 159 -2.497 5.605 13.726 1.00 1.87 H new ATOM 0 HD3 ARG A 159 -2.819 4.441 12.456 1.00 1.87 H new ATOM 0 HE ARG A 159 -0.227 3.866 13.446 1.00 2.78 H new ATOM 0 HH11 ARG A 159 -3.569 3.811 14.654 1.00 4.50 H new ATOM 0 HH12 ARG A 159 -3.213 2.529 15.816 1.00 4.50 H new ATOM 0 HH21 ARG A 159 0.151 2.260 14.959 1.00 4.90 H new ATOM 0 HH22 ARG A 159 -1.165 1.676 15.983 1.00 4.90 H new ATOM 2637 N GLU A 160 -3.271 5.644 9.164 1.00 0.98 N ATOM 2638 CA GLU A 160 -4.690 5.978 9.259 1.00 1.05 C ATOM 2639 C GLU A 160 -5.560 4.981 8.472 1.00 0.98 C ATOM 2640 O GLU A 160 -6.560 4.503 9.003 1.00 0.95 O ATOM 2641 CB GLU A 160 -4.996 7.420 8.825 1.00 1.16 C ATOM 2642 CG GLU A 160 -4.147 8.596 9.349 1.00 1.64 C ATOM 2643 CD GLU A 160 -3.505 8.416 10.731 1.00 1.74 C ATOM 2644 OE1 GLU A 160 -4.163 7.864 11.637 1.00 2.26 O ATOM 2645 OE2 GLU A 160 -2.339 8.847 10.911 1.00 3.08 O ATOM 0 H GLU A 160 -2.714 6.284 8.597 1.00 0.98 H new ATOM 0 HA GLU A 160 -4.945 5.901 10.316 1.00 1.05 H new ATOM 0 HB2 GLU A 160 -4.943 7.446 7.737 1.00 1.16 H new ATOM 0 HB3 GLU A 160 -6.031 7.625 9.098 1.00 1.16 H new ATOM 0 HG2 GLU A 160 -3.354 8.792 8.628 1.00 1.64 H new ATOM 0 HG3 GLU A 160 -4.777 9.485 9.379 1.00 1.64 H new ATOM 2652 N SER A 161 -5.167 4.586 7.254 1.00 0.97 N ATOM 2653 CA SER A 161 -5.851 3.546 6.485 1.00 0.92 C ATOM 2654 C SER A 161 -5.787 2.190 7.194 1.00 0.87 C ATOM 2655 O SER A 161 -6.827 1.564 7.382 1.00 0.84 O ATOM 2656 CB SER A 161 -5.236 3.444 5.082 1.00 0.97 C ATOM 2657 OG SER A 161 -5.863 2.436 4.306 1.00 1.36 O ATOM 0 H SER A 161 -4.360 4.984 6.774 1.00 0.97 H new ATOM 0 HA SER A 161 -6.901 3.824 6.399 1.00 0.92 H new ATOM 0 HB2 SER A 161 -5.328 4.404 4.574 1.00 0.97 H new ATOM 0 HB3 SER A 161 -4.171 3.228 5.166 1.00 0.97 H new ATOM 0 HG SER A 161 -5.272 2.176 3.568 1.00 1.36 H new ATOM 2663 N LEU A 162 -4.608 1.766 7.675 1.00 0.90 N ATOM 2664 CA LEU A 162 -4.427 0.494 8.382 1.00 0.90 C ATOM 2665 C LEU A 162 -5.370 0.414 9.576 1.00 0.87 C ATOM 2666 O LEU A 162 -6.108 -0.562 9.697 1.00 0.86 O ATOM 2667 CB LEU A 162 -2.962 0.385 8.848 1.00 1.06 C ATOM 2668 CG LEU A 162 -2.629 -0.763 9.820 1.00 1.48 C ATOM 2669 CD1 LEU A 162 -2.761 -2.138 9.165 1.00 1.72 C ATOM 2670 CD2 LEU A 162 -1.202 -0.556 10.332 1.00 2.86 C ATOM 0 H LEU A 162 -3.746 2.304 7.582 1.00 0.90 H new ATOM 0 HA LEU A 162 -4.658 -0.333 7.711 1.00 0.90 H new ATOM 0 HB2 LEU A 162 -2.331 0.277 7.966 1.00 1.06 H new ATOM 0 HB3 LEU A 162 -2.686 1.325 9.325 1.00 1.06 H new ATOM 0 HG LEU A 162 -3.344 -0.741 10.642 1.00 1.48 H new ATOM 0 HD11 LEU A 162 -2.516 -2.912 9.892 1.00 1.72 H new ATOM 0 HD12 LEU A 162 -3.784 -2.278 8.817 1.00 1.72 H new ATOM 0 HD13 LEU A 162 -2.077 -2.205 8.319 1.00 1.72 H new ATOM 0 HD21 LEU A 162 -0.943 -1.358 11.023 1.00 2.86 H new ATOM 0 HD22 LEU A 162 -0.509 -0.564 9.491 1.00 2.86 H new ATOM 0 HD23 LEU A 162 -1.136 0.402 10.847 1.00 2.86 H new ATOM 2682 N MET A 163 -5.369 1.431 10.443 1.00 0.88 N ATOM 2683 CA MET A 163 -6.186 1.396 11.653 1.00 0.88 C ATOM 2684 C MET A 163 -7.677 1.489 11.335 1.00 0.87 C ATOM 2685 O MET A 163 -8.457 0.749 11.924 1.00 0.90 O ATOM 2686 CB MET A 163 -5.706 2.420 12.692 1.00 0.93 C ATOM 2687 CG MET A 163 -6.176 3.857 12.465 1.00 1.28 C ATOM 2688 SD MET A 163 -5.629 4.990 13.760 1.00 1.59 S ATOM 2689 CE MET A 163 -6.641 6.409 13.281 1.00 1.30 C ATOM 0 H MET A 163 -4.816 2.280 10.329 1.00 0.88 H new ATOM 0 HA MET A 163 -6.051 0.421 12.120 1.00 0.88 H new ATOM 0 HB2 MET A 163 -6.043 2.097 13.677 1.00 0.93 H new ATOM 0 HB3 MET A 163 -4.616 2.411 12.709 1.00 0.93 H new ATOM 0 HG2 MET A 163 -5.804 4.207 11.502 1.00 1.28 H new ATOM 0 HG3 MET A 163 -7.265 3.873 12.411 1.00 1.28 H new ATOM 0 HE1 MET A 163 -6.453 7.237 13.965 1.00 1.30 H new ATOM 0 HE2 MET A 163 -6.386 6.712 12.266 1.00 1.30 H new ATOM 0 HE3 MET A 163 -7.695 6.135 13.324 1.00 1.30 H new ATOM 2699 N ALA A 164 -8.082 2.347 10.393 1.00 0.84 N ATOM 2700 CA ALA A 164 -9.488 2.539 10.042 1.00 0.84 C ATOM 2701 C ALA A 164 -10.076 1.298 9.351 1.00 0.84 C ATOM 2702 O ALA A 164 -11.178 0.874 9.702 1.00 0.87 O ATOM 2703 CB ALA A 164 -9.622 3.813 9.197 1.00 0.84 C ATOM 0 H ALA A 164 -7.441 2.928 9.853 1.00 0.84 H new ATOM 0 HA ALA A 164 -10.076 2.669 10.951 1.00 0.84 H new ATOM 0 HB1 ALA A 164 -10.668 3.964 8.930 1.00 0.84 H new ATOM 0 HB2 ALA A 164 -9.266 4.669 9.770 1.00 0.84 H new ATOM 0 HB3 ALA A 164 -9.027 3.712 8.289 1.00 0.84 H new ATOM 2709 N LEU A 165 -9.330 0.680 8.425 1.00 0.84 N ATOM 2710 CA LEU A 165 -9.718 -0.563 7.745 1.00 0.85 C ATOM 2711 C LEU A 165 -9.755 -1.716 8.757 1.00 0.87 C ATOM 2712 O LEU A 165 -10.714 -2.488 8.779 1.00 0.89 O ATOM 2713 CB LEU A 165 -8.721 -0.829 6.587 1.00 0.81 C ATOM 2714 CG LEU A 165 -9.198 -1.635 5.360 1.00 0.92 C ATOM 2715 CD1 LEU A 165 -10.029 -2.878 5.698 1.00 1.32 C ATOM 2716 CD2 LEU A 165 -9.965 -0.727 4.389 1.00 2.11 C ATOM 0 H LEU A 165 -8.424 1.037 8.122 1.00 0.84 H new ATOM 0 HA LEU A 165 -10.718 -0.476 7.319 1.00 0.85 H new ATOM 0 HB2 LEU A 165 -8.367 0.138 6.229 1.00 0.81 H new ATOM 0 HB3 LEU A 165 -7.859 -1.348 7.007 1.00 0.81 H new ATOM 0 HG LEU A 165 -8.291 -2.010 4.886 1.00 0.92 H new ATOM 0 HD11 LEU A 165 -10.321 -3.382 4.777 1.00 1.32 H new ATOM 0 HD12 LEU A 165 -9.436 -3.557 6.311 1.00 1.32 H new ATOM 0 HD13 LEU A 165 -10.922 -2.580 6.247 1.00 1.32 H new ATOM 0 HD21 LEU A 165 -10.295 -1.310 3.529 1.00 2.11 H new ATOM 0 HD22 LEU A 165 -10.833 -0.304 4.895 1.00 2.11 H new ATOM 0 HD23 LEU A 165 -9.313 0.079 4.052 1.00 2.11 H new ATOM 2728 N MET A 166 -8.762 -1.797 9.653 1.00 0.89 N ATOM 2729 CA MET A 166 -8.722 -2.822 10.702 1.00 0.95 C ATOM 2730 C MET A 166 -9.906 -2.699 11.664 1.00 0.90 C ATOM 2731 O MET A 166 -10.544 -3.710 11.946 1.00 0.92 O ATOM 2732 CB MET A 166 -7.370 -2.780 11.428 1.00 1.02 C ATOM 2733 CG MET A 166 -7.192 -3.942 12.409 1.00 1.42 C ATOM 2734 SD MET A 166 -7.926 -3.745 14.054 1.00 3.20 S ATOM 2735 CE MET A 166 -7.317 -5.284 14.790 1.00 2.68 C ATOM 0 H MET A 166 -7.968 -1.157 9.670 1.00 0.89 H new ATOM 0 HA MET A 166 -8.819 -3.801 10.233 1.00 0.95 H new ATOM 0 HB2 MET A 166 -6.566 -2.804 10.692 1.00 1.02 H new ATOM 0 HB3 MET A 166 -7.281 -1.837 11.967 1.00 1.02 H new ATOM 0 HG2 MET A 166 -7.614 -4.838 11.954 1.00 1.42 H new ATOM 0 HG3 MET A 166 -6.124 -4.121 12.533 1.00 1.42 H new ATOM 0 HE1 MET A 166 -7.664 -5.357 15.821 1.00 2.68 H new ATOM 0 HE2 MET A 166 -7.693 -6.134 14.220 1.00 2.68 H new ATOM 0 HE3 MET A 166 -6.227 -5.289 14.773 1.00 2.68 H new ATOM 2745 N ARG A 167 -10.276 -1.484 12.093 1.00 0.88 N ATOM 2746 CA ARG A 167 -11.422 -1.250 12.992 1.00 0.86 C ATOM 2747 C ARG A 167 -12.752 -1.693 12.354 1.00 0.86 C ATOM 2748 O ARG A 167 -13.672 -2.119 13.054 1.00 0.99 O ATOM 2749 CB ARG A 167 -11.491 0.242 13.385 1.00 0.96 C ATOM 2750 CG ARG A 167 -11.806 0.499 14.866 1.00 1.48 C ATOM 2751 CD ARG A 167 -13.147 -0.059 15.356 1.00 2.31 C ATOM 2752 NE ARG A 167 -13.399 0.346 16.750 1.00 2.68 N ATOM 2753 CZ ARG A 167 -14.481 0.071 17.469 1.00 3.72 C ATOM 2754 NH1 ARG A 167 -15.487 -0.626 16.983 1.00 4.56 N ATOM 2755 NH2 ARG A 167 -14.561 0.503 18.710 1.00 4.35 N ATOM 0 H ARG A 167 -9.788 -0.629 11.826 1.00 0.88 H new ATOM 0 HA ARG A 167 -11.269 -1.854 13.886 1.00 0.86 H new ATOM 0 HB2 ARG A 167 -10.538 0.712 13.143 1.00 0.96 H new ATOM 0 HB3 ARG A 167 -12.251 0.730 12.775 1.00 0.96 H new ATOM 0 HG2 ARG A 167 -11.009 0.067 15.471 1.00 1.48 H new ATOM 0 HG3 ARG A 167 -11.792 1.575 15.042 1.00 1.48 H new ATOM 0 HD2 ARG A 167 -13.952 0.301 14.716 1.00 2.31 H new ATOM 0 HD3 ARG A 167 -13.143 -1.147 15.283 1.00 2.31 H new ATOM 0 HE ARG A 167 -12.670 0.892 17.208 1.00 2.68 H new ATOM 0 HH11 ARG A 167 -15.451 -0.974 16.025 1.00 4.56 H new ATOM 0 HH12 ARG A 167 -16.303 -0.818 17.565 1.00 4.56 H new ATOM 0 HH21 ARG A 167 -13.796 1.044 19.112 1.00 4.35 H new ATOM 0 HH22 ARG A 167 -15.388 0.296 19.270 1.00 4.35 H new ATOM 2769 N LEU A 168 -12.848 -1.586 11.026 1.00 0.84 N ATOM 2770 CA LEU A 168 -14.010 -1.977 10.224 1.00 0.87 C ATOM 2771 C LEU A 168 -14.100 -3.504 10.034 1.00 0.91 C ATOM 2772 O LEU A 168 -15.202 -4.060 10.059 1.00 1.07 O ATOM 2773 CB LEU A 168 -13.904 -1.229 8.876 1.00 0.89 C ATOM 2774 CG LEU A 168 -15.113 -0.383 8.447 1.00 1.06 C ATOM 2775 CD1 LEU A 168 -16.261 -1.251 7.922 1.00 2.65 C ATOM 2776 CD2 LEU A 168 -15.631 0.600 9.503 1.00 1.55 C ATOM 0 H LEU A 168 -12.089 -1.210 10.458 1.00 0.84 H new ATOM 0 HA LEU A 168 -14.931 -1.702 10.738 1.00 0.87 H new ATOM 0 HB2 LEU A 168 -13.033 -0.576 8.919 1.00 0.89 H new ATOM 0 HB3 LEU A 168 -13.712 -1.965 8.095 1.00 0.89 H new ATOM 0 HG LEU A 168 -14.724 0.233 7.637 1.00 1.06 H new ATOM 0 HD11 LEU A 168 -17.095 -0.613 7.630 1.00 2.65 H new ATOM 0 HD12 LEU A 168 -15.920 -1.821 7.058 1.00 2.65 H new ATOM 0 HD13 LEU A 168 -16.586 -1.937 8.704 1.00 2.65 H new ATOM 0 HD21 LEU A 168 -16.484 1.148 9.103 1.00 1.55 H new ATOM 0 HD22 LEU A 168 -15.938 0.050 10.392 1.00 1.55 H new ATOM 0 HD23 LEU A 168 -14.840 1.302 9.766 1.00 1.55 H new ATOM 2788 N ASN A 169 -12.953 -4.174 9.854 1.00 0.94 N ATOM 2789 CA ASN A 169 -12.901 -5.618 9.586 1.00 1.02 C ATOM 2790 C ASN A 169 -12.822 -6.488 10.867 1.00 1.04 C ATOM 2791 O ASN A 169 -13.577 -7.452 10.988 1.00 1.08 O ATOM 2792 CB ASN A 169 -11.686 -5.866 8.672 1.00 1.18 C ATOM 2793 CG ASN A 169 -11.621 -7.310 8.182 1.00 1.35 C ATOM 2794 OD1 ASN A 169 -12.255 -7.677 7.198 1.00 2.09 O ATOM 2795 ND2 ASN A 169 -10.870 -8.169 8.848 1.00 1.81 N ATOM 0 H ASN A 169 -12.035 -3.730 9.890 1.00 0.94 H new ATOM 0 HA ASN A 169 -13.832 -5.919 9.105 1.00 1.02 H new ATOM 0 HB2 ASN A 169 -11.735 -5.195 7.815 1.00 1.18 H new ATOM 0 HB3 ASN A 169 -10.771 -5.626 9.213 1.00 1.18 H new ATOM 0 HD21 ASN A 169 -10.816 -9.141 8.545 1.00 1.81 H new ATOM 0 HD22 ASN A 169 -10.344 -7.860 9.666 1.00 1.81 H new ATOM 2802 N ASP A 170 -11.931 -6.125 11.803 1.00 1.12 N ATOM 2803 CA ASP A 170 -11.502 -6.716 13.094 1.00 1.28 C ATOM 2804 C ASP A 170 -11.442 -8.249 13.297 1.00 1.68 C ATOM 2805 O ASP A 170 -11.004 -8.705 14.353 1.00 1.93 O ATOM 2806 CB ASP A 170 -12.058 -5.921 14.291 1.00 1.76 C ATOM 2807 CG ASP A 170 -13.440 -6.375 14.780 1.00 2.14 C ATOM 2808 OD1 ASP A 170 -14.461 -5.917 14.217 1.00 3.31 O ATOM 2809 OD2 ASP A 170 -13.491 -7.138 15.778 1.00 3.01 O ATOM 0 H ASP A 170 -11.405 -5.265 11.648 1.00 1.12 H new ATOM 0 HA ASP A 170 -10.422 -6.581 13.027 1.00 1.28 H new ATOM 0 HB2 ASP A 170 -11.353 -5.997 15.118 1.00 1.76 H new ATOM 0 HB3 ASP A 170 -12.114 -4.868 14.015 1.00 1.76 H new ATOM 2814 N GLU A 171 -11.772 -9.051 12.285 1.00 2.27 N ATOM 2815 CA GLU A 171 -11.423 -10.481 12.187 1.00 3.33 C ATOM 2816 C GLU A 171 -9.902 -10.719 12.105 1.00 4.20 C ATOM 2817 O GLU A 171 -9.194 -9.947 11.419 1.00 4.57 O ATOM 2818 CB GLU A 171 -12.131 -11.132 10.980 1.00 3.74 C ATOM 2819 CG GLU A 171 -13.615 -11.428 11.247 1.00 3.84 C ATOM 2820 CD GLU A 171 -14.284 -12.143 10.046 1.00 4.59 C ATOM 2821 OE1 GLU A 171 -14.087 -13.374 9.877 1.00 5.35 O ATOM 2822 OE2 GLU A 171 -15.033 -11.486 9.277 1.00 4.97 O ATOM 2823 OXT GLU A 171 -9.440 -11.718 12.703 1.00 5.25 O ATOM 0 H GLU A 171 -12.306 -8.720 11.482 1.00 2.27 H new ATOM 0 HA GLU A 171 -11.771 -10.951 13.107 1.00 3.33 H new ATOM 0 HB2 GLU A 171 -12.047 -10.472 10.116 1.00 3.74 H new ATOM 0 HB3 GLU A 171 -11.621 -12.060 10.723 1.00 3.74 H new ATOM 0 HG2 GLU A 171 -13.707 -12.050 12.138 1.00 3.84 H new ATOM 0 HG3 GLU A 171 -14.140 -10.496 11.454 1.00 3.84 H new TER 2830 GLU A 171 HETATM 2831 C8 HTF A 172 -4.327 -9.157 -7.425 1.00 1.07 C HETATM 2832 C7 HTF A 172 -3.243 -8.093 -7.239 1.00 1.16 C HETATM 2833 C6 HTF A 172 -3.088 -7.718 -5.760 1.00 0.98 C HETATM 2834 C5 HTF A 172 -1.845 -6.842 -5.552 1.00 1.21 C HETATM 2835 C4 HTF A 172 -1.592 -6.566 -4.064 1.00 1.49 C HETATM 2836 C3 HTF A 172 -0.224 -5.912 -3.796 1.00 1.76 C HETATM 2837 C2 HTF A 172 0.972 -6.870 -3.977 1.00 2.04 C HETATM 2838 C1 HTF A 172 1.689 -6.752 -5.324 1.00 2.11 C HETATM 2839 O1 HTF A 172 1.549 -7.610 -6.190 1.00 3.59 O HETATM 2840 N HTF A 172 2.481 -5.692 -5.493 1.00 1.49 N HETATM 2841 CA HTF A 172 3.456 -5.501 -6.583 1.00 1.58 C HETATM 2842 C HTF A 172 4.041 -4.097 -6.661 1.00 2.39 C HETATM 2843 O HTF A 172 4.244 -3.406 -5.664 1.00 3.91 O HETATM 2844 OD HTF A 172 4.215 -3.738 -7.921 1.00 2.22 O HETATM 2845 CG HTF A 172 3.825 -4.775 -8.805 1.00 1.95 C HETATM 2846 CB HTF A 172 2.874 -5.663 -7.991 1.00 2.04 C HETATM 0 HN HTF A 172 2.405 -4.944 -4.804 1.00 1.49 H new HETATM 0 HG3 HTF A 172 3.329 -4.373 -9.688 1.00 1.95 H new HETATM 0 HG2 HTF A 172 4.689 -5.340 -9.154 1.00 1.95 H new HETATM 0 HB3 HTF A 172 2.889 -6.700 -8.327 1.00 2.04 H new HETATM 0 HB2 HTF A 172 1.840 -5.324 -8.051 1.00 2.04 H new HETATM 0 HA HTF A 172 4.188 -6.266 -6.325 1.00 1.58 H new HETATM 0 H83 HTF A 172 -4.058 -10.052 -6.864 1.00 1.07 H new HETATM 0 H82 HTF A 172 -5.280 -8.773 -7.061 1.00 1.07 H new HETATM 0 H81 HTF A 172 -4.416 -9.404 -8.483 1.00 1.07 H new HETATM 0 H73 HTF A 172 -2.294 -8.465 -7.625 1.00 1.16 H new HETATM 0 H72 HTF A 172 -3.497 -7.205 -7.818 1.00 1.16 H new HETATM 0 H63 HTF A 172 -3.976 -7.185 -5.419 1.00 0.98 H new HETATM 0 H62 HTF A 172 -3.007 -8.622 -5.157 1.00 0.98 H new HETATM 0 H53 HTF A 172 -0.975 -7.336 -5.984 1.00 1.21 H new HETATM 0 H52 HTF A 172 -1.972 -5.898 -6.082 1.00 1.21 H new HETATM 0 H43 HTF A 172 -2.380 -5.917 -3.682 1.00 1.49 H new HETATM 0 H42 HTF A 172 -1.655 -7.503 -3.511 1.00 1.49 H new HETATM 0 H33 HTF A 172 -0.101 -5.062 -4.467 1.00 1.76 H new HETATM 0 H32 HTF A 172 -0.212 -5.520 -2.779 1.00 1.76 H new HETATM 0 H23 HTF A 172 1.692 -6.684 -3.180 1.00 2.04 H new HETATM 0 H22 HTF A 172 0.620 -7.895 -3.857 1.00 2.04 H new