USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1055 hydrogens (84 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 73 THR OG1 : rot 144:sc= 0.482 USER MOD Set 1.2: A 200 CHO O7 : rot -119:sc= -4.62! USER MOD Set 1.3: A 201 CHO OT2 : rot 147:sc= 0.654 USER MOD Set 2.1: A 97 TYR OH : rot 180:sc=-0.00473 USER MOD Set 2.2: A 99 HIS : no HD1:sc= -2.88! C(o=-2.8!,f=-11!) USER MOD Set 2.3: A 112 SER OG : rot -79:sc= 0.0711 USER MOD Set 3.1: A 96 ASN : amide:sc= 0.832 K(o=2,f=0.33) USER MOD Set 3.2: A 115 SER OG : rot -13:sc= 1.2 USER MOD Set 4.1: A 52 HIS : no HD1:sc= 0.781 K(o=1.1,f=-2.2!) USER MOD Set 4.2: A 58 THR OG1 : rot 124:sc= 0.292 USER MOD Set 5.1: A 38 THR OG1 : rot 100:sc= 0.694 USER MOD Set 5.2: A 51 GLN : amide:sc= -0.607 K(o=0.087,f=1.2) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 177:sc= -1.44! USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.199) USER MOD Single : A 6 TYR OH : rot 176:sc= 0.609 USER MOD Single : A 10 SER OG : rot 13:sc= 0.374 USER MOD Single : A 13 ASN : amide:sc= 1.09 K(o=1.1,f=-0.93) USER MOD Single : A 14 TYR OH : rot 16:sc= -2.92! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.39 (180deg=0.215!) USER MOD Single : A 30 MET CE :methyl -157:sc= -0.154 (180deg=-1.32) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 34 CYS SG : rot 35:sc= 0.37 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00985 K(o=-0.0098,f=-0.89) USER MOD Single : A 43 ASN : amide:sc= -0.0299 K(o=-0.03,f=-0.59) USER MOD Single : A 45 ASN : amide:sc= -0.741 X(o=-0.74,f=-0.68) USER MOD Single : A 48 THR OG1 : rot -110:sc= -1.18 USER MOD Single : A 50 THR OG1 : rot 85:sc= 0.202 USER MOD Single : A 59 THR OG1 : rot -160:sc= 0.12 USER MOD Single : A 60 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 61 ASN : amide:sc= -3.17! C(o=-3.2!,f=-2!) USER MOD Single : A 62 SER OG : rot 40:sc= 0.0383 USER MOD Single : A 64 THR OG1 : rot 19:sc= 1.07 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -167:sc= -4.73! (180deg=-5.97!) USER MOD Single : A 74 MET CE :methyl -133:sc= -0.804 (180deg=-2.34!) USER MOD Single : A 78 LYS NZ :NH3+ -132:sc= 1.24 (180deg=-0.7) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -65:sc= 1.28 USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= 0.64 (180deg=0.239) USER MOD Single : A 85 MET CE :methyl -175:sc= -1.3 (180deg=-1.33) USER MOD Single : A 89 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.09) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.686 USER MOD Single : A 104 SER OG : rot 134:sc= 1.26 USER MOD Single : A 107 LYS NZ :NH3+ -155:sc= 1.01 (180deg=0.515) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 114 SER OG : rot 140:sc= 0.245 USER MOD Single : A 119 TYR OH : rot -100:sc= 1.28 USER MOD Single : A 120 LYS NZ :NH3+ -143:sc= 0.935 (180deg=0.1) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 150:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -142:sc= 1.73 (180deg=0.832) USER MOD Single : A 125 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0128) USER MOD Single : A 200 CHO O3 : rot 180:sc= 0 USER MOD Single : A 200 CHO OT2 : rot 165:sc= 0 USER MOD Single : A 201 CHO O3 : rot 149:sc= 1.54 USER MOD Single : A 201 CHO O7 : rot -150:sc= -4.07! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.342 -7.124 -5.266 1.00 1.11 N ATOM 2 CA ALA A 1 -13.620 -8.253 -4.636 1.00 0.53 C ATOM 3 C ALA A 1 -12.320 -7.775 -4.001 1.00 0.42 C ATOM 4 O ALA A 1 -11.253 -8.327 -4.266 1.00 0.51 O ATOM 5 CB ALA A 1 -13.337 -9.327 -5.673 1.00 1.00 C ATOM 0 H1 ALA A 1 -15.225 -7.471 -5.693 1.00 1.11 H new ATOM 0 H2 ALA A 1 -14.564 -6.408 -4.545 1.00 1.11 H new ATOM 0 H3 ALA A 1 -13.745 -6.698 -6.004 1.00 1.11 H new ATOM 0 HA ALA A 1 -14.248 -8.673 -3.850 1.00 0.53 H new ATOM 0 HB1 ALA A 1 -12.806 -10.155 -5.204 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -14.278 -9.688 -6.089 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -12.724 -8.909 -6.472 1.00 1.00 H new ATOM 11 N PHE A 2 -12.411 -6.743 -3.167 1.00 0.35 N ATOM 12 CA PHE A 2 -11.237 -6.197 -2.499 1.00 0.27 C ATOM 13 C PHE A 2 -10.949 -6.957 -1.213 1.00 0.23 C ATOM 14 O PHE A 2 -9.805 -7.026 -0.771 1.00 0.25 O ATOM 15 CB PHE A 2 -11.424 -4.709 -2.198 1.00 0.33 C ATOM 16 CG PHE A 2 -11.223 -3.835 -3.398 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.961 -3.668 -3.941 1.00 1.22 C ATOM 18 CD2 PHE A 2 -12.295 -3.186 -3.986 1.00 1.24 C ATOM 19 CE1 PHE A 2 -9.769 -2.869 -5.050 1.00 1.23 C ATOM 20 CE2 PHE A 2 -12.111 -2.384 -5.095 1.00 1.24 C ATOM 21 CZ PHE A 2 -10.847 -2.226 -5.630 1.00 0.36 C ATOM 0 H PHE A 2 -13.285 -6.269 -2.939 1.00 0.35 H new ATOM 0 HA PHE A 2 -10.386 -6.310 -3.171 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.427 -4.548 -1.803 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.723 -4.412 -1.418 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -9.116 -4.169 -3.492 1.00 1.22 H new ATOM 0 HD2 PHE A 2 -13.285 -3.308 -3.573 1.00 1.24 H new ATOM 0 HE1 PHE A 2 -8.779 -2.746 -5.464 1.00 1.23 H new ATOM 0 HE2 PHE A 2 -12.955 -1.881 -5.544 1.00 1.24 H new ATOM 0 HZ PHE A 2 -10.701 -1.602 -6.499 1.00 0.36 H new ATOM 31 N THR A 3 -11.993 -7.521 -0.622 1.00 0.20 N ATOM 32 CA THR A 3 -11.863 -8.285 0.609 1.00 0.19 C ATOM 33 C THR A 3 -10.981 -9.508 0.399 1.00 0.19 C ATOM 34 O THR A 3 -11.043 -10.161 -0.646 1.00 0.26 O ATOM 35 CB THR A 3 -13.238 -8.748 1.114 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.236 -7.789 0.743 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.218 -8.929 2.621 1.00 0.26 C ATOM 0 H THR A 3 -12.947 -7.462 -0.979 1.00 0.20 H new ATOM 0 HA THR A 3 -11.405 -7.630 1.350 1.00 0.19 H new ATOM 0 HB THR A 3 -13.477 -9.708 0.657 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.119 -8.110 1.023 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.200 -9.257 2.961 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.473 -9.678 2.888 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.967 -7.982 3.098 1.00 0.26 H new ATOM 45 N GLY A 4 -10.168 -9.818 1.393 1.00 0.19 N ATOM 46 CA GLY A 4 -9.293 -10.956 1.295 1.00 0.21 C ATOM 47 C GLY A 4 -7.881 -10.612 1.705 1.00 0.19 C ATOM 48 O GLY A 4 -7.553 -9.442 1.891 1.00 0.21 O ATOM 0 H GLY A 4 -10.101 -9.298 2.268 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.670 -11.760 1.927 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.294 -11.329 0.271 1.00 0.21 H new ATOM 52 N LYS A 5 -7.057 -11.628 1.879 1.00 0.20 N ATOM 53 CA LYS A 5 -5.666 -11.416 2.239 1.00 0.20 C ATOM 54 C LYS A 5 -4.812 -11.510 0.980 1.00 0.18 C ATOM 55 O LYS A 5 -5.097 -12.308 0.085 1.00 0.19 O ATOM 56 CB LYS A 5 -5.210 -12.415 3.322 1.00 0.23 C ATOM 57 CG LYS A 5 -4.300 -13.527 2.818 1.00 0.28 C ATOM 58 CD LYS A 5 -4.125 -14.623 3.857 1.00 0.31 C ATOM 59 CE LYS A 5 -3.145 -14.211 4.945 1.00 0.56 C ATOM 60 NZ LYS A 5 -3.702 -14.430 6.303 1.00 1.54 N ATOM 0 H LYS A 5 -7.325 -12.607 1.777 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.548 -10.422 2.671 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.690 -11.866 4.107 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -6.092 -12.864 3.777 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.717 -13.953 1.906 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.326 -13.111 2.559 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -5.090 -14.857 4.306 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.770 -15.532 3.372 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.221 -14.779 4.836 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -2.889 -13.159 4.823 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -2.925 -14.485 6.992 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -4.331 -13.640 6.552 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -4.241 -15.319 6.318 1.00 1.54 H new ATOM 74 N TYR A 6 -3.794 -10.675 0.894 1.00 0.19 N ATOM 75 CA TYR A 6 -2.927 -10.659 -0.270 1.00 0.19 C ATOM 76 C TYR A 6 -1.471 -10.755 0.143 1.00 0.19 C ATOM 77 O TYR A 6 -1.061 -10.158 1.138 1.00 0.23 O ATOM 78 CB TYR A 6 -3.150 -9.382 -1.084 1.00 0.22 C ATOM 79 CG TYR A 6 -4.579 -9.181 -1.517 1.00 0.23 C ATOM 80 CD1 TYR A 6 -5.073 -9.806 -2.650 1.00 1.25 C ATOM 81 CD2 TYR A 6 -5.437 -8.371 -0.786 1.00 1.14 C ATOM 82 CE1 TYR A 6 -6.382 -9.631 -3.047 1.00 1.29 C ATOM 83 CE2 TYR A 6 -6.750 -8.193 -1.172 1.00 1.13 C ATOM 84 CZ TYR A 6 -7.216 -8.826 -2.306 1.00 0.35 C ATOM 85 OH TYR A 6 -8.521 -8.657 -2.693 1.00 0.44 O ATOM 0 H TYR A 6 -3.547 -9.998 1.616 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.174 -11.523 -0.887 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.836 -8.524 -0.490 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.512 -9.409 -1.968 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.422 -10.441 -3.232 1.00 1.25 H new ATOM 0 HD2 TYR A 6 -5.071 -7.872 0.099 1.00 1.14 H new ATOM 0 HE1 TYR A 6 -6.750 -10.123 -3.935 1.00 1.29 H new ATOM 0 HE2 TYR A 6 -7.408 -7.563 -0.591 1.00 1.13 H new ATOM 0 HH TYR A 6 -8.991 -8.112 -2.028 1.00 0.44 H new ATOM 95 N GLU A 7 -0.697 -11.507 -0.617 1.00 0.19 N ATOM 96 CA GLU A 7 0.719 -11.675 -0.327 1.00 0.21 C ATOM 97 C GLU A 7 1.560 -11.289 -1.526 1.00 0.19 C ATOM 98 O GLU A 7 1.074 -11.289 -2.660 1.00 0.22 O ATOM 99 CB GLU A 7 1.031 -13.112 0.079 1.00 0.26 C ATOM 100 CG GLU A 7 0.685 -13.429 1.521 1.00 0.33 C ATOM 101 CD GLU A 7 1.376 -14.683 2.008 1.00 0.59 C ATOM 102 OE1 GLU A 7 2.391 -15.077 1.391 1.00 1.41 O ATOM 103 OE2 GLU A 7 0.912 -15.278 2.999 1.00 1.20 O ATOM 0 H GLU A 7 -1.023 -12.012 -1.441 1.00 0.19 H new ATOM 0 HA GLU A 7 0.964 -11.017 0.507 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.483 -13.791 -0.574 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.092 -13.303 -0.081 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.969 -12.589 2.155 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.394 -13.549 1.617 1.00 0.33 H new ATOM 110 N PHE A 8 2.820 -10.966 -1.261 1.00 0.23 N ATOM 111 CA PHE A 8 3.764 -10.569 -2.298 1.00 0.25 C ATOM 112 C PHE A 8 3.784 -11.574 -3.447 1.00 0.24 C ATOM 113 O PHE A 8 3.791 -12.790 -3.232 1.00 0.33 O ATOM 114 CB PHE A 8 5.168 -10.433 -1.694 1.00 0.33 C ATOM 115 CG PHE A 8 6.252 -10.237 -2.719 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.178 -9.197 -3.629 1.00 1.32 C ATOM 117 CD2 PHE A 8 7.337 -11.095 -2.772 1.00 1.55 C ATOM 118 CE1 PHE A 8 7.164 -9.018 -4.577 1.00 1.57 C ATOM 119 CE2 PHE A 8 8.329 -10.920 -3.718 1.00 1.86 C ATOM 120 CZ PHE A 8 8.242 -9.877 -4.622 1.00 1.49 C ATOM 0 H PHE A 8 3.216 -10.972 -0.321 1.00 0.23 H new ATOM 0 HA PHE A 8 3.444 -9.608 -2.700 1.00 0.25 H new ATOM 0 HB2 PHE A 8 5.177 -9.590 -1.004 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.390 -11.326 -1.109 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.339 -8.518 -3.597 1.00 1.32 H new ATOM 0 HD2 PHE A 8 7.409 -11.910 -2.067 1.00 1.55 H new ATOM 0 HE1 PHE A 8 7.092 -8.205 -5.284 1.00 1.57 H new ATOM 0 HE2 PHE A 8 9.170 -11.596 -3.751 1.00 1.86 H new ATOM 0 HZ PHE A 8 9.016 -9.736 -5.361 1.00 1.49 H new ATOM 130 N GLU A 9 3.778 -11.052 -4.662 1.00 0.25 N ATOM 131 CA GLU A 9 3.808 -11.879 -5.853 1.00 0.26 C ATOM 132 C GLU A 9 4.770 -11.282 -6.873 1.00 0.28 C ATOM 133 O GLU A 9 5.699 -11.948 -7.328 1.00 0.34 O ATOM 134 CB GLU A 9 2.409 -11.999 -6.460 1.00 0.27 C ATOM 135 CG GLU A 9 2.339 -12.966 -7.631 1.00 0.35 C ATOM 136 CD GLU A 9 1.857 -14.342 -7.219 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.614 -15.059 -6.525 1.00 1.46 O ATOM 138 OE2 GLU A 9 0.724 -14.713 -7.584 1.00 1.19 O ATOM 0 H GLU A 9 3.752 -10.050 -4.848 1.00 0.25 H new ATOM 0 HA GLU A 9 4.151 -12.876 -5.577 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.713 -12.325 -5.687 1.00 0.27 H new ATOM 0 HB3 GLU A 9 2.079 -11.014 -6.791 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.670 -12.563 -8.391 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.325 -13.051 -8.087 1.00 0.35 H new ATOM 145 N SER A 10 4.545 -10.024 -7.221 1.00 0.26 N ATOM 146 CA SER A 10 5.389 -9.335 -8.191 1.00 0.29 C ATOM 147 C SER A 10 5.394 -7.833 -7.935 1.00 0.27 C ATOM 148 O SER A 10 4.371 -7.263 -7.579 1.00 0.32 O ATOM 149 CB SER A 10 4.886 -9.606 -9.607 1.00 0.34 C ATOM 150 OG SER A 10 5.247 -10.909 -10.040 1.00 1.01 O ATOM 0 H SER A 10 3.784 -9.457 -6.847 1.00 0.26 H new ATOM 0 HA SER A 10 6.406 -9.713 -8.085 1.00 0.29 H new ATOM 0 HB2 SER A 10 3.802 -9.497 -9.638 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.300 -8.865 -10.291 1.00 0.34 H new ATOM 0 HG SER A 10 5.562 -11.433 -9.274 1.00 1.01 H new ATOM 156 N ASP A 11 6.539 -7.198 -8.162 1.00 0.28 N ATOM 157 CA ASP A 11 6.687 -5.764 -7.939 1.00 0.28 C ATOM 158 C ASP A 11 7.519 -5.144 -9.054 1.00 0.28 C ATOM 159 O ASP A 11 8.370 -5.813 -9.647 1.00 0.34 O ATOM 160 CB ASP A 11 7.342 -5.499 -6.580 1.00 0.32 C ATOM 161 CG ASP A 11 6.322 -5.333 -5.469 1.00 0.97 C ATOM 162 OD1 ASP A 11 5.648 -6.324 -5.119 1.00 1.71 O ATOM 163 OD2 ASP A 11 6.190 -4.209 -4.949 1.00 1.72 O ATOM 0 H ASP A 11 7.384 -7.658 -8.503 1.00 0.28 H new ATOM 0 HA ASP A 11 5.697 -5.307 -7.942 1.00 0.28 H new ATOM 0 HB2 ASP A 11 8.011 -6.324 -6.335 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.955 -4.600 -6.644 1.00 0.32 H new ATOM 168 N GLU A 12 7.274 -3.874 -9.337 1.00 0.26 N ATOM 169 CA GLU A 12 7.984 -3.171 -10.395 1.00 0.27 C ATOM 170 C GLU A 12 8.419 -1.786 -9.922 1.00 0.25 C ATOM 171 O GLU A 12 7.736 -1.156 -9.114 1.00 0.26 O ATOM 172 CB GLU A 12 7.084 -3.083 -11.637 1.00 0.32 C ATOM 173 CG GLU A 12 7.296 -1.846 -12.505 1.00 0.38 C ATOM 174 CD GLU A 12 6.362 -1.797 -13.703 1.00 0.57 C ATOM 175 OE1 GLU A 12 6.284 -2.801 -14.445 1.00 1.00 O ATOM 176 OE2 GLU A 12 5.695 -0.760 -13.912 1.00 1.44 O ATOM 0 H GLU A 12 6.584 -3.306 -8.845 1.00 0.26 H new ATOM 0 HA GLU A 12 8.887 -3.722 -10.657 1.00 0.27 H new ATOM 0 HB2 GLU A 12 7.249 -3.970 -12.249 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.043 -3.107 -11.314 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.148 -0.953 -11.898 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.328 -1.826 -12.854 1.00 0.38 H new ATOM 183 N ASN A 13 9.561 -1.334 -10.439 1.00 0.25 N ATOM 184 CA ASN A 13 10.136 -0.029 -10.091 1.00 0.25 C ATOM 185 C ASN A 13 10.394 0.070 -8.591 1.00 0.23 C ATOM 186 O ASN A 13 10.114 1.087 -7.966 1.00 0.30 O ATOM 187 CB ASN A 13 9.211 1.107 -10.545 1.00 0.29 C ATOM 188 CG ASN A 13 9.321 1.391 -12.032 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.401 1.320 -12.618 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.200 1.706 -12.657 1.00 0.84 N ATOM 0 H ASN A 13 10.117 -1.861 -11.112 1.00 0.25 H new ATOM 0 HA ASN A 13 11.089 0.067 -10.611 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.180 0.849 -10.304 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.452 2.012 -9.987 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.212 1.900 -13.658 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.323 1.755 -12.138 1.00 0.84 H new ATOM 197 N TYR A 14 10.970 -0.991 -8.039 1.00 0.23 N ATOM 198 CA TYR A 14 11.257 -1.068 -6.610 1.00 0.25 C ATOM 199 C TYR A 14 12.283 -0.022 -6.175 1.00 0.23 C ATOM 200 O TYR A 14 11.950 0.932 -5.473 1.00 0.22 O ATOM 201 CB TYR A 14 11.774 -2.466 -6.263 1.00 0.32 C ATOM 202 CG TYR A 14 11.393 -2.938 -4.880 1.00 0.44 C ATOM 203 CD1 TYR A 14 11.995 -2.398 -3.746 1.00 1.30 C ATOM 204 CD2 TYR A 14 10.437 -3.927 -4.710 1.00 1.28 C ATOM 205 CE1 TYR A 14 11.649 -2.831 -2.482 1.00 1.36 C ATOM 206 CE2 TYR A 14 10.085 -4.370 -3.452 1.00 1.39 C ATOM 207 CZ TYR A 14 10.690 -3.823 -2.342 1.00 0.78 C ATOM 208 OH TYR A 14 10.339 -4.280 -1.097 1.00 0.98 O ATOM 0 H TYR A 14 11.250 -1.819 -8.565 1.00 0.23 H new ATOM 0 HA TYR A 14 10.329 -0.866 -6.076 1.00 0.25 H new ATOM 0 HB2 TYR A 14 11.391 -3.176 -6.996 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.860 -2.472 -6.351 1.00 0.32 H new ATOM 0 HD1 TYR A 14 12.744 -1.628 -3.858 1.00 1.30 H new ATOM 0 HD2 TYR A 14 9.959 -4.358 -5.577 1.00 1.28 H new ATOM 0 HE1 TYR A 14 12.120 -2.401 -1.610 1.00 1.36 H new ATOM 0 HE2 TYR A 14 9.339 -5.142 -3.338 1.00 1.39 H new ATOM 0 HH TYR A 14 10.653 -3.649 -0.416 1.00 0.98 H new ATOM 218 N ASP A 15 13.523 -0.195 -6.615 1.00 0.25 N ATOM 219 CA ASP A 15 14.600 0.720 -6.252 1.00 0.26 C ATOM 220 C ASP A 15 14.355 2.110 -6.815 1.00 0.25 C ATOM 221 O ASP A 15 14.672 3.108 -6.179 1.00 0.26 O ATOM 222 CB ASP A 15 15.950 0.201 -6.737 1.00 0.33 C ATOM 223 CG ASP A 15 16.375 -1.072 -6.029 1.00 0.50 C ATOM 224 OD1 ASP A 15 16.986 -0.982 -4.939 1.00 1.18 O ATOM 225 OD2 ASP A 15 16.102 -2.173 -6.554 1.00 1.30 O ATOM 0 H ASP A 15 13.809 -0.961 -7.225 1.00 0.25 H new ATOM 0 HA ASP A 15 14.617 0.781 -5.164 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.900 0.016 -7.810 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.708 0.969 -6.581 1.00 0.33 H new ATOM 230 N ASP A 16 13.777 2.168 -8.002 1.00 0.25 N ATOM 231 CA ASP A 16 13.487 3.442 -8.656 1.00 0.26 C ATOM 232 C ASP A 16 12.540 4.285 -7.804 1.00 0.25 C ATOM 233 O ASP A 16 12.733 5.488 -7.635 1.00 0.29 O ATOM 234 CB ASP A 16 12.863 3.199 -10.033 1.00 0.29 C ATOM 235 CG ASP A 16 13.856 2.649 -11.037 1.00 0.72 C ATOM 236 OD1 ASP A 16 14.560 3.451 -11.686 1.00 1.46 O ATOM 237 OD2 ASP A 16 13.937 1.410 -11.183 1.00 1.20 O ATOM 0 H ASP A 16 13.496 1.347 -8.538 1.00 0.25 H new ATOM 0 HA ASP A 16 14.425 3.984 -8.776 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.031 2.502 -9.932 1.00 0.29 H new ATOM 0 HB3 ASP A 16 12.451 4.135 -10.411 1.00 0.29 H new ATOM 242 N PHE A 17 11.527 3.630 -7.251 1.00 0.21 N ATOM 243 CA PHE A 17 10.536 4.293 -6.416 1.00 0.21 C ATOM 244 C PHE A 17 11.151 4.772 -5.113 1.00 0.20 C ATOM 245 O PHE A 17 11.058 5.952 -4.765 1.00 0.23 O ATOM 246 CB PHE A 17 9.389 3.324 -6.116 1.00 0.21 C ATOM 247 CG PHE A 17 8.274 3.921 -5.303 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.475 4.921 -5.831 1.00 1.22 C ATOM 249 CD2 PHE A 17 8.021 3.474 -4.016 1.00 1.17 C ATOM 250 CE1 PHE A 17 6.445 5.464 -5.088 1.00 1.24 C ATOM 251 CE2 PHE A 17 6.993 4.015 -3.269 1.00 1.19 C ATOM 252 CZ PHE A 17 6.206 5.011 -3.806 1.00 0.38 C ATOM 0 H PHE A 17 11.370 2.629 -7.368 1.00 0.21 H new ATOM 0 HA PHE A 17 10.158 5.161 -6.956 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.981 2.959 -7.058 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.788 2.460 -5.585 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.659 5.280 -6.833 1.00 1.22 H new ATOM 0 HD2 PHE A 17 8.635 2.693 -3.592 1.00 1.17 H new ATOM 0 HE1 PHE A 17 5.827 6.243 -5.510 1.00 1.24 H new ATOM 0 HE2 PHE A 17 6.806 3.659 -2.267 1.00 1.19 H new ATOM 0 HZ PHE A 17 5.402 5.437 -3.224 1.00 0.38 H new ATOM 262 N VAL A 18 11.801 3.858 -4.406 1.00 0.19 N ATOM 263 CA VAL A 18 12.408 4.180 -3.126 1.00 0.21 C ATOM 264 C VAL A 18 13.519 5.223 -3.270 1.00 0.23 C ATOM 265 O VAL A 18 13.681 6.080 -2.399 1.00 0.26 O ATOM 266 CB VAL A 18 12.928 2.919 -2.402 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.760 2.024 -2.014 1.00 0.25 C ATOM 268 CG2 VAL A 18 13.919 2.158 -3.264 1.00 0.23 C ATOM 0 H VAL A 18 11.920 2.888 -4.699 1.00 0.19 H new ATOM 0 HA VAL A 18 11.622 4.615 -2.509 1.00 0.21 H new ATOM 0 HB VAL A 18 13.450 3.234 -1.498 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.135 1.137 -1.504 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.090 2.569 -1.349 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.217 1.725 -2.911 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.267 1.276 -2.726 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.434 1.851 -4.191 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.769 2.800 -3.495 1.00 0.23 H new ATOM 278 N LYS A 19 14.266 5.174 -4.373 1.00 0.24 N ATOM 279 CA LYS A 19 15.331 6.147 -4.607 1.00 0.29 C ATOM 280 C LYS A 19 14.741 7.518 -4.927 1.00 0.30 C ATOM 281 O LYS A 19 15.347 8.548 -4.637 1.00 0.34 O ATOM 282 CB LYS A 19 16.249 5.697 -5.749 1.00 0.33 C ATOM 283 CG LYS A 19 17.175 4.555 -5.362 1.00 0.41 C ATOM 284 CD LYS A 19 18.304 5.026 -4.461 1.00 0.54 C ATOM 285 CE LYS A 19 18.691 3.959 -3.445 1.00 0.87 C ATOM 286 NZ LYS A 19 19.890 4.347 -2.655 1.00 1.18 N ATOM 0 H LYS A 19 14.155 4.479 -5.111 1.00 0.24 H new ATOM 0 HA LYS A 19 15.924 6.217 -3.695 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.638 5.388 -6.597 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.848 6.545 -6.080 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.603 3.779 -4.853 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.592 4.104 -6.262 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.172 5.283 -5.068 1.00 0.54 H new ATOM 0 HD3 LYS A 19 18.000 5.933 -3.939 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.854 3.782 -2.769 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.887 3.020 -3.963 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.118 3.593 -1.976 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.696 4.491 -3.296 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.696 5.229 -2.140 1.00 1.18 H new ATOM 300 N LYS A 20 13.547 7.519 -5.511 1.00 0.29 N ATOM 301 CA LYS A 20 12.863 8.756 -5.876 1.00 0.32 C ATOM 302 C LYS A 20 12.284 9.443 -4.647 1.00 0.31 C ATOM 303 O LYS A 20 12.447 10.650 -4.467 1.00 0.36 O ATOM 304 CB LYS A 20 11.738 8.470 -6.876 1.00 0.35 C ATOM 305 CG LYS A 20 11.201 9.714 -7.568 1.00 0.58 C ATOM 306 CD LYS A 20 12.185 10.232 -8.602 1.00 0.73 C ATOM 307 CE LYS A 20 11.496 11.094 -9.642 1.00 0.71 C ATOM 308 NZ LYS A 20 12.336 11.277 -10.857 1.00 0.88 N ATOM 0 H LYS A 20 13.030 6.671 -5.743 1.00 0.29 H new ATOM 0 HA LYS A 20 13.597 9.418 -6.336 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.104 7.775 -7.631 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.919 7.973 -6.355 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.250 9.484 -8.049 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.005 10.490 -6.828 1.00 0.58 H new ATOM 0 HD2 LYS A 20 12.964 10.811 -8.106 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.676 9.391 -9.092 1.00 0.73 H new ATOM 0 HE2 LYS A 20 10.547 10.636 -9.922 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.265 12.068 -9.211 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 11.829 11.872 -11.543 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.231 11.737 -10.594 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 12.536 10.350 -11.284 1.00 0.88 H new ATOM 322 N ILE A 21 11.613 8.669 -3.803 1.00 0.28 N ATOM 323 CA ILE A 21 10.998 9.214 -2.597 1.00 0.30 C ATOM 324 C ILE A 21 12.041 9.536 -1.532 1.00 0.32 C ATOM 325 O ILE A 21 11.731 10.162 -0.515 1.00 0.39 O ATOM 326 CB ILE A 21 9.940 8.254 -2.011 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.572 6.908 -1.655 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.802 8.062 -3.003 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.693 6.029 -0.792 1.00 0.30 C ATOM 0 H ILE A 21 11.481 7.666 -3.930 1.00 0.28 H new ATOM 0 HA ILE A 21 10.503 10.139 -2.893 1.00 0.30 H new ATOM 0 HB ILE A 21 9.539 8.694 -1.098 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.811 6.375 -2.575 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.514 7.085 -1.136 1.00 0.24 H new ATOM 0 HG21 ILE A 21 8.061 7.383 -2.580 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.335 9.025 -3.212 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.194 7.640 -3.929 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.210 5.092 -0.582 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.474 6.541 0.145 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.761 5.819 -1.317 1.00 0.30 H new ATOM 341 N GLY A 22 13.275 9.111 -1.767 1.00 0.31 N ATOM 342 CA GLY A 22 14.344 9.376 -0.827 1.00 0.36 C ATOM 343 C GLY A 22 14.294 8.468 0.384 1.00 0.34 C ATOM 344 O GLY A 22 14.659 8.877 1.487 1.00 0.39 O ATOM 0 H GLY A 22 13.555 8.586 -2.595 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.303 9.253 -1.329 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.286 10.414 -0.500 1.00 0.36 H new ATOM 348 N LEU A 23 13.831 7.243 0.183 1.00 0.28 N ATOM 349 CA LEU A 23 13.743 6.276 1.264 1.00 0.27 C ATOM 350 C LEU A 23 15.147 5.880 1.706 1.00 0.28 C ATOM 351 O LEU A 23 16.004 5.610 0.862 1.00 0.28 O ATOM 352 CB LEU A 23 12.972 5.032 0.800 1.00 0.24 C ATOM 353 CG LEU A 23 12.523 4.076 1.911 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.456 4.715 2.777 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.984 2.790 1.319 1.00 0.25 C ATOM 0 H LEU A 23 13.510 6.896 -0.721 1.00 0.28 H new ATOM 0 HA LEU A 23 13.211 6.725 2.103 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.090 5.358 0.248 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.599 4.478 0.101 1.00 0.24 H new ATOM 0 HG LEU A 23 13.393 3.853 2.528 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.154 4.017 3.558 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.853 5.621 3.235 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.592 4.968 2.163 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.670 2.123 2.122 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.131 3.014 0.679 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.763 2.306 0.730 1.00 0.25 H new ATOM 367 N PRO A 24 15.416 5.862 3.020 1.00 0.30 N ATOM 368 CA PRO A 24 16.727 5.483 3.539 1.00 0.32 C ATOM 369 C PRO A 24 17.078 4.054 3.170 1.00 0.30 C ATOM 370 O PRO A 24 16.242 3.156 3.281 1.00 0.28 O ATOM 371 CB PRO A 24 16.586 5.614 5.053 1.00 0.37 C ATOM 372 CG PRO A 24 15.125 5.634 5.322 1.00 0.36 C ATOM 373 CD PRO A 24 14.476 6.210 4.099 1.00 0.33 C ATOM 0 HA PRO A 24 17.521 6.107 3.128 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.067 4.780 5.564 1.00 0.37 H new ATOM 0 HB3 PRO A 24 17.063 6.526 5.413 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.753 4.629 5.522 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.900 6.238 6.201 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.489 5.780 3.927 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.343 7.289 4.184 1.00 0.33 H new ATOM 381 N ALA A 25 18.316 3.850 2.752 1.00 0.32 N ATOM 382 CA ALA A 25 18.793 2.533 2.344 1.00 0.34 C ATOM 383 C ALA A 25 18.603 1.516 3.458 1.00 0.35 C ATOM 384 O ALA A 25 18.295 0.351 3.204 1.00 0.36 O ATOM 385 CB ALA A 25 20.255 2.593 1.936 1.00 0.39 C ATOM 0 H ALA A 25 19.018 4.587 2.685 1.00 0.32 H new ATOM 0 HA ALA A 25 18.203 2.217 1.484 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.590 1.600 1.636 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.372 3.284 1.101 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.854 2.938 2.779 1.00 0.39 H new ATOM 391 N ASP A 26 18.773 1.979 4.690 1.00 0.37 N ATOM 392 CA ASP A 26 18.627 1.131 5.866 1.00 0.40 C ATOM 393 C ASP A 26 17.237 0.508 5.921 1.00 0.38 C ATOM 394 O ASP A 26 17.093 -0.684 6.187 1.00 0.42 O ATOM 395 CB ASP A 26 18.876 1.949 7.134 1.00 0.46 C ATOM 396 CG ASP A 26 18.717 1.136 8.406 1.00 1.27 C ATOM 397 OD1 ASP A 26 19.704 0.510 8.846 1.00 2.03 O ATOM 398 OD2 ASP A 26 17.614 1.136 8.986 1.00 2.03 O ATOM 0 H ASP A 26 19.015 2.947 4.901 1.00 0.37 H new ATOM 0 HA ASP A 26 19.362 0.329 5.800 1.00 0.40 H new ATOM 0 HB2 ASP A 26 19.883 2.365 7.099 1.00 0.46 H new ATOM 0 HB3 ASP A 26 18.184 2.791 7.158 1.00 0.46 H new ATOM 403 N LYS A 27 16.220 1.307 5.628 1.00 0.35 N ATOM 404 CA LYS A 27 14.849 0.821 5.664 1.00 0.36 C ATOM 405 C LYS A 27 14.471 0.195 4.328 1.00 0.32 C ATOM 406 O LYS A 27 13.558 -0.626 4.261 1.00 0.33 O ATOM 407 CB LYS A 27 13.877 1.948 6.027 1.00 0.39 C ATOM 408 CG LYS A 27 14.200 2.649 7.347 1.00 0.41 C ATOM 409 CD LYS A 27 14.007 1.733 8.556 1.00 0.48 C ATOM 410 CE LYS A 27 12.552 1.690 9.002 1.00 0.72 C ATOM 411 NZ LYS A 27 12.398 1.229 10.411 1.00 0.94 N ATOM 0 H LYS A 27 16.318 2.288 5.365 1.00 0.35 H new ATOM 0 HA LYS A 27 14.780 0.055 6.437 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.878 2.687 5.226 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.868 1.540 6.082 1.00 0.39 H new ATOM 0 HG2 LYS A 27 15.230 3.004 7.324 1.00 0.41 H new ATOM 0 HG3 LYS A 27 13.563 3.527 7.454 1.00 0.41 H new ATOM 0 HD2 LYS A 27 14.341 0.726 8.307 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.630 2.081 9.380 1.00 0.48 H new ATOM 0 HE2 LYS A 27 12.115 2.683 8.899 1.00 0.72 H new ATOM 0 HE3 LYS A 27 11.993 1.025 8.343 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 11.405 0.975 10.586 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 13.002 0.398 10.572 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 12.679 1.992 11.059 1.00 0.94 H new ATOM 425 N ILE A 28 15.173 0.590 3.265 1.00 0.30 N ATOM 426 CA ILE A 28 14.926 0.041 1.937 1.00 0.29 C ATOM 427 C ILE A 28 15.207 -1.456 1.932 1.00 0.34 C ATOM 428 O ILE A 28 14.335 -2.259 1.622 1.00 0.37 O ATOM 429 CB ILE A 28 15.803 0.718 0.858 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.239 2.080 0.478 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.924 -0.159 -0.382 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.080 2.800 -0.545 1.00 0.26 C ATOM 0 H ILE A 28 15.916 1.288 3.301 1.00 0.30 H new ATOM 0 HA ILE A 28 13.880 0.232 1.699 1.00 0.29 H new ATOM 0 HB ILE A 28 16.798 0.856 1.282 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.230 1.953 0.086 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.158 2.697 1.373 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.546 0.343 -1.123 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.379 -1.112 -0.111 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.933 -0.337 -0.800 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.627 3.764 -0.775 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.083 2.956 -0.147 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.140 2.201 -1.454 1.00 0.26 H new ATOM 444 N GLU A 29 16.429 -1.818 2.302 1.00 0.37 N ATOM 445 CA GLU A 29 16.837 -3.214 2.337 1.00 0.44 C ATOM 446 C GLU A 29 16.059 -3.963 3.412 1.00 0.43 C ATOM 447 O GLU A 29 15.829 -5.169 3.308 1.00 0.47 O ATOM 448 CB GLU A 29 18.339 -3.313 2.594 1.00 0.52 C ATOM 449 CG GLU A 29 19.167 -2.408 1.696 1.00 0.55 C ATOM 450 CD GLU A 29 19.283 -2.924 0.277 1.00 0.94 C ATOM 451 OE1 GLU A 29 18.392 -2.625 -0.546 1.00 1.73 O ATOM 452 OE2 GLU A 29 20.276 -3.617 -0.023 1.00 1.41 O ATOM 0 H GLU A 29 17.156 -1.160 2.583 1.00 0.37 H new ATOM 0 HA GLU A 29 16.618 -3.672 1.372 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.539 -3.061 3.635 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.657 -4.345 2.449 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.719 -1.414 1.679 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.165 -2.301 2.120 1.00 0.55 H new ATOM 459 N MET A 30 15.659 -3.235 4.442 1.00 0.41 N ATOM 460 CA MET A 30 14.886 -3.811 5.531 1.00 0.43 C ATOM 461 C MET A 30 13.495 -4.194 5.042 1.00 0.40 C ATOM 462 O MET A 30 12.932 -5.200 5.461 1.00 0.41 O ATOM 463 CB MET A 30 14.779 -2.808 6.679 1.00 0.45 C ATOM 464 CG MET A 30 14.067 -3.340 7.913 1.00 0.46 C ATOM 465 SD MET A 30 14.955 -4.697 8.702 1.00 0.63 S ATOM 466 CE MET A 30 13.873 -6.066 8.302 1.00 0.97 C ATOM 0 H MET A 30 15.858 -2.240 4.547 1.00 0.41 H new ATOM 0 HA MET A 30 15.392 -4.708 5.888 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.782 -2.490 6.962 1.00 0.45 H new ATOM 0 HB3 MET A 30 14.252 -1.922 6.324 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.939 -2.530 8.631 1.00 0.46 H new ATOM 0 HG3 MET A 30 13.069 -3.679 7.633 1.00 0.46 H new ATOM 0 HE1 MET A 30 14.026 -6.872 9.019 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.836 -5.734 8.345 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.098 -6.426 7.298 1.00 0.97 H new ATOM 476 N GLY A 31 12.956 -3.391 4.137 1.00 0.39 N ATOM 477 CA GLY A 31 11.639 -3.653 3.618 1.00 0.39 C ATOM 478 C GLY A 31 11.659 -3.983 2.148 1.00 0.43 C ATOM 479 O GLY A 31 10.832 -3.482 1.390 1.00 0.51 O ATOM 0 H GLY A 31 13.412 -2.562 3.755 1.00 0.39 H new ATOM 0 HA2 GLY A 31 11.192 -4.481 4.168 1.00 0.39 H new ATOM 0 HA3 GLY A 31 11.005 -2.782 3.784 1.00 0.39 H new ATOM 483 N ARG A 32 12.613 -4.816 1.741 1.00 0.43 N ATOM 484 CA ARG A 32 12.718 -5.217 0.350 1.00 0.50 C ATOM 485 C ARG A 32 12.685 -6.734 0.233 1.00 0.44 C ATOM 486 O ARG A 32 13.343 -7.442 1.003 1.00 0.49 O ATOM 487 CB ARG A 32 13.976 -4.632 -0.316 1.00 0.60 C ATOM 488 CG ARG A 32 15.235 -5.474 -0.178 1.00 0.78 C ATOM 489 CD ARG A 32 16.346 -4.941 -1.071 1.00 0.71 C ATOM 490 NE ARG A 32 15.942 -4.900 -2.480 1.00 1.31 N ATOM 491 CZ ARG A 32 16.194 -3.880 -3.308 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.898 -2.828 -2.898 1.00 1.65 N ATOM 493 NH2 ARG A 32 15.755 -3.926 -4.562 1.00 2.27 N ATOM 0 H ARG A 32 13.319 -5.222 2.355 1.00 0.43 H new ATOM 0 HA ARG A 32 11.858 -4.812 -0.183 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.771 -4.486 -1.376 1.00 0.60 H new ATOM 0 HB3 ARG A 32 14.168 -3.647 0.110 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.566 -5.473 0.861 1.00 0.78 H new ATOM 0 HG3 ARG A 32 15.016 -6.509 -0.442 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.626 -3.939 -0.744 1.00 0.71 H new ATOM 0 HD3 ARG A 32 17.230 -5.569 -0.965 1.00 0.71 H new ATOM 0 HE ARG A 32 15.435 -5.702 -2.854 1.00 1.31 H new ATOM 0 HH11 ARG A 32 17.253 -2.793 -1.942 1.00 1.65 H new ATOM 0 HH12 ARG A 32 17.083 -2.057 -3.539 1.00 1.65 H new ATOM 0 HH21 ARG A 32 15.229 -4.736 -4.889 1.00 2.27 H new ATOM 0 HH22 ARG A 32 15.944 -3.151 -5.197 1.00 2.27 H new ATOM 507 N ASN A 33 11.883 -7.216 -0.715 1.00 0.53 N ATOM 508 CA ASN A 33 11.722 -8.651 -0.965 1.00 0.67 C ATOM 509 C ASN A 33 11.106 -9.335 0.247 1.00 0.59 C ATOM 510 O ASN A 33 11.325 -10.522 0.489 1.00 0.69 O ATOM 511 CB ASN A 33 13.059 -9.318 -1.313 1.00 0.80 C ATOM 512 CG ASN A 33 13.698 -8.759 -2.571 1.00 1.23 C ATOM 513 OD1 ASN A 33 13.012 -8.312 -3.490 1.00 1.72 O ATOM 514 ND2 ASN A 33 15.022 -8.787 -2.622 1.00 1.78 N ATOM 0 H ASN A 33 11.326 -6.625 -1.332 1.00 0.53 H new ATOM 0 HA ASN A 33 11.056 -8.761 -1.820 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.748 -9.193 -0.477 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.901 -10.389 -1.439 1.00 0.80 H new ATOM 0 HD21 ASN A 33 15.508 -8.430 -3.444 1.00 1.78 H new ATOM 0 HD22 ASN A 33 15.555 -9.166 -1.839 1.00 1.78 H new ATOM 521 N CYS A 34 10.335 -8.582 1.010 1.00 0.47 N ATOM 522 CA CYS A 34 9.699 -9.114 2.201 1.00 0.41 C ATOM 523 C CYS A 34 8.257 -9.521 1.912 1.00 0.41 C ATOM 524 O CYS A 34 7.546 -8.836 1.178 1.00 0.48 O ATOM 525 CB CYS A 34 9.744 -8.080 3.326 1.00 0.38 C ATOM 526 SG CYS A 34 11.413 -7.538 3.760 1.00 1.16 S ATOM 0 H CYS A 34 10.134 -7.599 0.826 1.00 0.47 H new ATOM 0 HA CYS A 34 10.246 -10.003 2.515 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.156 -7.211 3.031 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.268 -8.501 4.212 1.00 0.38 H new ATOM 0 HG CYS A 34 12.151 -7.506 2.690 1.00 1.16 H new ATOM 532 N LYS A 35 7.846 -10.647 2.484 1.00 0.39 N ATOM 533 CA LYS A 35 6.489 -11.158 2.304 1.00 0.42 C ATOM 534 C LYS A 35 5.479 -10.315 3.081 1.00 0.38 C ATOM 535 O LYS A 35 5.146 -10.615 4.226 1.00 0.40 O ATOM 536 CB LYS A 35 6.391 -12.641 2.720 1.00 0.47 C ATOM 537 CG LYS A 35 7.166 -12.999 3.988 1.00 0.48 C ATOM 538 CD LYS A 35 7.095 -14.489 4.292 1.00 1.13 C ATOM 539 CE LYS A 35 8.238 -14.924 5.193 1.00 1.64 C ATOM 540 NZ LYS A 35 8.170 -16.373 5.518 1.00 2.49 N ATOM 0 H LYS A 35 8.436 -11.228 3.080 1.00 0.39 H new ATOM 0 HA LYS A 35 6.249 -11.088 1.243 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.341 -12.895 2.868 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.756 -13.260 1.900 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.208 -12.701 3.874 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.764 -12.436 4.831 1.00 0.48 H new ATOM 0 HD2 LYS A 35 6.144 -14.720 4.771 1.00 1.13 H new ATOM 0 HD3 LYS A 35 7.128 -15.054 3.361 1.00 1.13 H new ATOM 0 HE2 LYS A 35 9.188 -14.706 4.705 1.00 1.64 H new ATOM 0 HE3 LYS A 35 8.213 -14.344 6.116 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 8.968 -16.628 6.134 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 7.275 -16.577 6.007 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 8.219 -16.928 4.640 1.00 2.49 H new ATOM 554 N ILE A 36 5.021 -9.238 2.456 1.00 0.36 N ATOM 555 CA ILE A 36 4.047 -8.350 3.071 1.00 0.34 C ATOM 556 C ILE A 36 2.643 -8.871 2.828 1.00 0.33 C ATOM 557 O ILE A 36 2.239 -9.081 1.685 1.00 0.41 O ATOM 558 CB ILE A 36 4.136 -6.911 2.518 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.584 -6.421 2.497 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.277 -5.968 3.352 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.238 -6.423 3.856 1.00 0.66 C ATOM 0 H ILE A 36 5.311 -8.959 1.519 1.00 0.36 H new ATOM 0 HA ILE A 36 4.271 -8.325 4.137 1.00 0.34 H new ATOM 0 HB ILE A 36 3.762 -6.919 1.494 1.00 0.41 H new ATOM 0 HG12 ILE A 36 6.163 -7.052 1.823 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.612 -5.410 2.090 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.350 -4.958 2.950 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.238 -6.297 3.319 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.627 -5.974 4.384 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.263 -6.064 3.767 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.682 -5.770 4.528 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.242 -7.437 4.256 1.00 0.66 H new ATOM 573 N VAL A 37 1.906 -9.084 3.900 1.00 0.29 N ATOM 574 CA VAL A 37 0.546 -9.577 3.787 1.00 0.29 C ATOM 575 C VAL A 37 -0.438 -8.433 3.949 1.00 0.30 C ATOM 576 O VAL A 37 -0.346 -7.662 4.903 1.00 0.37 O ATOM 577 CB VAL A 37 0.222 -10.653 4.842 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.021 -11.440 4.451 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.399 -11.587 5.058 1.00 0.32 C ATOM 0 H VAL A 37 2.223 -8.924 4.856 1.00 0.29 H new ATOM 0 HA VAL A 37 0.456 -10.027 2.798 1.00 0.29 H new ATOM 0 HB VAL A 37 0.023 -10.141 5.784 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.229 -12.193 5.211 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.871 -10.762 4.370 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.855 -11.929 3.491 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.138 -12.334 5.808 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.645 -12.085 4.120 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.260 -11.014 5.401 1.00 0.32 H new ATOM 589 N THR A 38 -1.353 -8.315 3.006 1.00 0.25 N ATOM 590 CA THR A 38 -2.375 -7.282 3.041 1.00 0.26 C ATOM 591 C THR A 38 -3.737 -7.910 3.316 1.00 0.24 C ATOM 592 O THR A 38 -4.311 -8.561 2.450 1.00 0.23 O ATOM 593 CB THR A 38 -2.426 -6.509 1.707 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.111 -6.047 1.358 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.379 -5.327 1.794 1.00 0.30 C ATOM 0 H THR A 38 -1.410 -8.930 2.195 1.00 0.25 H new ATOM 0 HA THR A 38 -2.124 -6.583 3.838 1.00 0.26 H new ATOM 0 HB THR A 38 -2.791 -7.188 0.936 1.00 0.27 H new ATOM 0 HG1 THR A 38 -0.719 -6.650 0.692 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.394 -4.801 0.839 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.382 -5.685 2.027 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.045 -4.647 2.578 1.00 0.30 H new ATOM 603 N GLU A 39 -4.238 -7.737 4.528 1.00 0.25 N ATOM 604 CA GLU A 39 -5.526 -8.308 4.895 1.00 0.25 C ATOM 605 C GLU A 39 -6.610 -7.242 4.837 1.00 0.24 C ATOM 606 O GLU A 39 -6.583 -6.272 5.599 1.00 0.28 O ATOM 607 CB GLU A 39 -5.453 -8.940 6.282 1.00 0.28 C ATOM 608 CG GLU A 39 -4.233 -9.827 6.462 1.00 0.38 C ATOM 609 CD GLU A 39 -4.426 -10.891 7.520 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.384 -10.558 8.720 1.00 1.24 O ATOM 611 OE2 GLU A 39 -4.607 -12.072 7.155 1.00 1.39 O ATOM 0 H GLU A 39 -3.778 -7.210 5.270 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.780 -9.091 4.181 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.438 -8.152 7.035 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.354 -9.529 6.456 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -3.996 -10.306 5.512 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.377 -9.208 6.729 1.00 0.38 H new ATOM 618 N VAL A 40 -7.546 -7.427 3.917 1.00 0.20 N ATOM 619 CA VAL A 40 -8.631 -6.483 3.719 1.00 0.20 C ATOM 620 C VAL A 40 -9.976 -7.038 4.184 1.00 0.21 C ATOM 621 O VAL A 40 -10.312 -8.193 3.911 1.00 0.20 O ATOM 622 CB VAL A 40 -8.739 -6.101 2.229 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.852 -5.096 1.998 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.412 -5.561 1.717 1.00 0.22 C ATOM 0 H VAL A 40 -7.573 -8.232 3.291 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.398 -5.605 4.321 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.984 -7.004 1.669 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.903 -4.847 0.938 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.802 -5.526 2.316 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.652 -4.193 2.574 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.509 -5.297 0.664 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.134 -4.676 2.289 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.641 -6.323 1.831 1.00 0.22 H new ATOM 634 N VAL A 41 -10.731 -6.212 4.899 1.00 0.24 N ATOM 635 CA VAL A 41 -12.057 -6.581 5.374 1.00 0.27 C ATOM 636 C VAL A 41 -13.072 -5.562 4.855 1.00 0.29 C ATOM 637 O VAL A 41 -12.844 -4.356 4.941 1.00 0.31 O ATOM 638 CB VAL A 41 -12.133 -6.642 6.919 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.527 -7.061 7.372 1.00 0.70 C ATOM 640 CG2 VAL A 41 -11.081 -7.593 7.475 1.00 0.95 C ATOM 0 H VAL A 41 -10.441 -5.271 5.165 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.281 -7.579 4.997 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.930 -5.644 7.309 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.560 -7.098 8.461 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.259 -6.339 7.011 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.760 -8.046 6.968 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.153 -7.620 8.562 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.247 -8.593 7.075 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -10.089 -7.247 7.186 1.00 0.95 H new ATOM 650 N GLN A 42 -14.178 -6.042 4.306 1.00 0.31 N ATOM 651 CA GLN A 42 -15.203 -5.156 3.766 1.00 0.36 C ATOM 652 C GLN A 42 -16.258 -4.812 4.810 1.00 0.30 C ATOM 653 O GLN A 42 -16.987 -5.683 5.287 1.00 0.42 O ATOM 654 CB GLN A 42 -15.876 -5.792 2.551 1.00 0.53 C ATOM 655 CG GLN A 42 -16.763 -4.833 1.771 1.00 1.14 C ATOM 656 CD GLN A 42 -17.556 -5.527 0.686 1.00 1.35 C ATOM 657 OE1 GLN A 42 -17.935 -6.688 0.818 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.821 -4.816 -0.397 1.00 1.59 N ATOM 0 H GLN A 42 -14.390 -7.036 4.222 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.706 -4.234 3.465 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -15.107 -6.185 1.885 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.476 -6.640 2.881 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.450 -4.339 2.458 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -16.145 -4.055 1.323 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -17.489 -3.854 -0.470 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.358 -5.229 -1.160 1.00 1.59 H new ATOM 667 N ASN A 43 -16.322 -3.541 5.167 1.00 0.30 N ATOM 668 CA ASN A 43 -17.299 -3.060 6.132 1.00 0.37 C ATOM 669 C ASN A 43 -18.076 -1.892 5.527 1.00 0.34 C ATOM 670 O ASN A 43 -17.822 -0.731 5.844 1.00 0.37 O ATOM 671 CB ASN A 43 -16.610 -2.629 7.432 1.00 0.53 C ATOM 672 CG ASN A 43 -17.596 -2.149 8.482 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.729 -2.628 8.555 1.00 1.44 O ATOM 674 ND2 ASN A 43 -17.181 -1.184 9.289 1.00 1.73 N ATOM 0 H ASN A 43 -15.704 -2.817 4.800 1.00 0.30 H new ATOM 0 HA ASN A 43 -17.991 -3.868 6.371 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -16.038 -3.467 7.831 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -15.899 -1.832 7.215 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -17.807 -0.811 10.003 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -16.235 -0.814 9.197 1.00 1.73 H new ATOM 681 N GLY A 44 -19.008 -2.205 4.636 1.00 0.35 N ATOM 682 CA GLY A 44 -19.786 -1.169 3.984 1.00 0.37 C ATOM 683 C GLY A 44 -18.945 -0.431 2.967 1.00 0.34 C ATOM 684 O GLY A 44 -18.700 -0.935 1.868 1.00 0.40 O ATOM 0 H GLY A 44 -19.239 -3.157 4.353 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.653 -1.612 3.494 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.164 -0.468 4.728 1.00 0.37 H new ATOM 688 N ASN A 45 -18.500 0.759 3.322 1.00 0.31 N ATOM 689 CA ASN A 45 -17.643 1.544 2.448 1.00 0.29 C ATOM 690 C ASN A 45 -16.302 1.759 3.125 1.00 0.28 C ATOM 691 O ASN A 45 -15.447 2.492 2.632 1.00 0.29 O ATOM 692 CB ASN A 45 -18.280 2.884 2.084 1.00 0.32 C ATOM 693 CG ASN A 45 -18.778 2.907 0.655 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.733 3.938 -0.014 1.00 0.41 O ATOM 695 ND2 ASN A 45 -19.253 1.769 0.176 1.00 0.43 N ATOM 0 H ASN A 45 -18.718 1.206 4.212 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.502 0.993 1.518 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -19.111 3.086 2.760 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.551 3.682 2.227 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.600 1.724 -0.782 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.272 0.936 0.765 1.00 0.43 H new ATOM 702 N ASP A 46 -16.135 1.102 4.265 1.00 0.30 N ATOM 703 CA ASP A 46 -14.910 1.184 5.037 1.00 0.29 C ATOM 704 C ASP A 46 -14.090 -0.078 4.804 1.00 0.28 C ATOM 705 O ASP A 46 -14.485 -1.172 5.214 1.00 0.36 O ATOM 706 CB ASP A 46 -15.245 1.336 6.522 1.00 0.33 C ATOM 707 CG ASP A 46 -14.023 1.528 7.401 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.405 2.615 7.351 1.00 1.29 O ATOM 709 OD2 ASP A 46 -13.704 0.607 8.184 1.00 1.36 O ATOM 0 H ASP A 46 -16.846 0.499 4.677 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.330 2.052 4.722 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.913 2.188 6.650 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.788 0.452 6.856 1.00 0.33 H new ATOM 714 N PHE A 47 -12.974 0.071 4.109 1.00 0.23 N ATOM 715 CA PHE A 47 -12.096 -1.047 3.822 1.00 0.23 C ATOM 716 C PHE A 47 -10.849 -0.950 4.677 1.00 0.23 C ATOM 717 O PHE A 47 -10.227 0.111 4.773 1.00 0.24 O ATOM 718 CB PHE A 47 -11.733 -1.076 2.334 1.00 0.25 C ATOM 719 CG PHE A 47 -12.901 -1.402 1.439 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.813 -0.421 1.077 1.00 0.81 C ATOM 721 CD2 PHE A 47 -13.087 -2.691 0.964 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.887 -0.721 0.260 1.00 0.82 C ATOM 723 CE2 PHE A 47 -14.159 -2.995 0.146 1.00 1.00 C ATOM 724 CZ PHE A 47 -15.061 -2.009 -0.206 1.00 0.34 C ATOM 0 H PHE A 47 -12.655 0.963 3.732 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.614 -1.976 4.060 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.325 -0.106 2.048 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.946 -1.813 2.174 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.682 0.589 1.438 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.386 -3.467 1.236 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.590 0.052 -0.014 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -14.292 -4.003 -0.218 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.900 -2.245 -0.844 1.00 0.34 H new ATOM 734 N THR A 48 -10.505 -2.044 5.324 1.00 0.26 N ATOM 735 CA THR A 48 -9.339 -2.079 6.178 1.00 0.27 C ATOM 736 C THR A 48 -8.120 -2.615 5.444 1.00 0.28 C ATOM 737 O THR A 48 -8.178 -3.665 4.805 1.00 0.38 O ATOM 738 CB THR A 48 -9.614 -2.936 7.423 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.681 -3.852 7.150 1.00 0.53 O ATOM 740 CG2 THR A 48 -9.989 -2.049 8.593 1.00 0.56 C ATOM 0 H THR A 48 -11.019 -2.923 5.273 1.00 0.26 H new ATOM 0 HA THR A 48 -9.126 -1.054 6.482 1.00 0.27 H new ATOM 0 HB THR A 48 -8.713 -3.494 7.677 1.00 0.29 H new ATOM 0 HG1 THR A 48 -11.476 -3.590 7.660 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.182 -2.666 9.470 1.00 0.56 H new ATOM 0 HG22 THR A 48 -9.170 -1.362 8.806 1.00 0.56 H new ATOM 0 HG23 THR A 48 -10.885 -1.480 8.346 1.00 0.56 H new ATOM 748 N TRP A 49 -7.025 -1.878 5.521 1.00 0.23 N ATOM 749 CA TRP A 49 -5.789 -2.284 4.883 1.00 0.23 C ATOM 750 C TRP A 49 -4.778 -2.662 5.949 1.00 0.23 C ATOM 751 O TRP A 49 -4.210 -1.800 6.622 1.00 0.24 O ATOM 752 CB TRP A 49 -5.243 -1.164 3.999 1.00 0.25 C ATOM 753 CG TRP A 49 -5.019 -1.588 2.577 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.817 -1.751 1.948 1.00 0.34 C ATOM 755 CD2 TRP A 49 -6.025 -1.893 1.602 1.00 0.30 C ATOM 756 NE1 TRP A 49 -4.014 -2.142 0.646 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.359 -2.235 0.409 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.423 -1.910 1.621 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -6.043 -2.594 -0.752 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -8.101 -2.261 0.468 1.00 0.38 C ATOM 761 CH2 TRP A 49 -7.413 -2.599 -0.704 1.00 0.42 C ATOM 0 H TRP A 49 -6.969 -0.991 6.022 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.982 -3.147 4.246 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.939 -0.325 4.016 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.302 -0.806 4.417 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.852 -1.595 2.408 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -3.278 -2.332 -0.034 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.964 -1.654 2.520 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.513 -2.858 -1.655 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -9.181 -2.275 0.471 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.973 -2.869 -1.587 1.00 0.42 H new ATOM 772 N THR A 50 -4.589 -3.953 6.131 1.00 0.22 N ATOM 773 CA THR A 50 -3.653 -4.447 7.120 1.00 0.24 C ATOM 774 C THR A 50 -2.353 -4.887 6.460 1.00 0.25 C ATOM 775 O THR A 50 -2.364 -5.738 5.572 1.00 0.35 O ATOM 776 CB THR A 50 -4.259 -5.634 7.882 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.624 -5.357 8.204 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.482 -5.921 9.154 1.00 0.28 C ATOM 0 H THR A 50 -5.073 -4.681 5.605 1.00 0.22 H new ATOM 0 HA THR A 50 -3.442 -3.636 7.817 1.00 0.24 H new ATOM 0 HB THR A 50 -4.204 -6.514 7.241 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.194 -5.591 7.442 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.934 -6.766 9.673 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.448 -6.159 8.903 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.505 -5.044 9.800 1.00 0.28 H new ATOM 786 N GLN A 51 -1.248 -4.286 6.875 1.00 0.22 N ATOM 787 CA GLN A 51 0.062 -4.630 6.341 1.00 0.23 C ATOM 788 C GLN A 51 0.851 -5.403 7.383 1.00 0.22 C ATOM 789 O GLN A 51 1.163 -4.875 8.453 1.00 0.24 O ATOM 790 CB GLN A 51 0.841 -3.367 5.967 1.00 0.27 C ATOM 791 CG GLN A 51 0.184 -2.511 4.894 1.00 0.56 C ATOM 792 CD GLN A 51 0.195 -3.179 3.535 1.00 0.71 C ATOM 793 OE1 GLN A 51 1.177 -3.102 2.799 1.00 1.62 O ATOM 794 NE2 GLN A 51 -0.901 -3.827 3.189 1.00 0.82 N ATOM 0 H GLN A 51 -1.233 -3.553 7.584 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.080 -5.240 5.449 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.977 -2.762 6.863 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.834 -3.657 5.624 1.00 0.27 H new ATOM 0 HG2 GLN A 51 -0.845 -2.298 5.183 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.701 -1.554 4.829 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -1.694 -3.867 3.830 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -0.956 -4.288 2.281 1.00 0.82 H new ATOM 803 N HIS A 52 1.192 -6.636 7.068 1.00 0.22 N ATOM 804 CA HIS A 52 1.945 -7.466 7.990 1.00 0.23 C ATOM 805 C HIS A 52 3.388 -7.596 7.559 1.00 0.23 C ATOM 806 O HIS A 52 3.688 -7.971 6.422 1.00 0.26 O ATOM 807 CB HIS A 52 1.312 -8.854 8.118 1.00 0.24 C ATOM 808 CG HIS A 52 -0.004 -8.867 8.830 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.129 -8.449 10.136 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.215 -9.261 8.375 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.409 -8.602 10.439 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.104 -9.091 9.402 1.00 0.35 N ATOM 0 H HIS A 52 0.961 -7.086 6.182 1.00 0.22 H new ATOM 0 HA HIS A 52 1.919 -6.977 8.964 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.176 -9.272 7.121 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.004 -9.509 8.647 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.438 -9.638 7.388 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.839 -8.363 11.400 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.103 -9.297 9.382 1.00 0.35 H new ATOM 820 N PHE A 53 4.272 -7.273 8.484 1.00 0.25 N ATOM 821 CA PHE A 53 5.698 -7.346 8.247 1.00 0.27 C ATOM 822 C PHE A 53 6.283 -8.550 8.981 1.00 0.31 C ATOM 823 O PHE A 53 6.143 -8.657 10.200 1.00 0.34 O ATOM 824 CB PHE A 53 6.365 -6.061 8.729 1.00 0.24 C ATOM 825 CG PHE A 53 7.676 -5.789 8.067 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.839 -6.017 6.714 1.00 1.13 C ATOM 827 CD2 PHE A 53 8.746 -5.320 8.801 1.00 1.20 C ATOM 828 CE1 PHE A 53 9.054 -5.777 6.103 1.00 1.13 C ATOM 829 CE2 PHE A 53 9.963 -5.081 8.200 1.00 1.23 C ATOM 830 CZ PHE A 53 10.118 -5.311 6.848 1.00 0.34 C ATOM 0 H PHE A 53 4.020 -6.953 9.419 1.00 0.25 H new ATOM 0 HA PHE A 53 5.881 -7.462 7.179 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.694 -5.222 8.547 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.516 -6.121 9.807 1.00 0.24 H new ATOM 0 HD1 PHE A 53 7.009 -6.386 6.129 1.00 1.13 H new ATOM 0 HD2 PHE A 53 8.628 -5.138 9.859 1.00 1.20 H new ATOM 0 HE1 PHE A 53 9.171 -5.954 5.044 1.00 1.13 H new ATOM 0 HE2 PHE A 53 10.793 -4.715 8.786 1.00 1.23 H new ATOM 0 HZ PHE A 53 11.071 -5.127 6.374 1.00 0.34 H new ATOM 840 N PRO A 54 6.936 -9.469 8.253 1.00 0.35 N ATOM 841 CA PRO A 54 7.529 -10.666 8.858 1.00 0.41 C ATOM 842 C PRO A 54 8.663 -10.324 9.818 1.00 0.39 C ATOM 843 O PRO A 54 9.719 -9.831 9.408 1.00 0.37 O ATOM 844 CB PRO A 54 8.064 -11.450 7.652 1.00 0.46 C ATOM 845 CG PRO A 54 8.211 -10.448 6.558 1.00 0.45 C ATOM 846 CD PRO A 54 7.148 -9.414 6.797 1.00 0.39 C ATOM 0 HA PRO A 54 6.807 -11.222 9.455 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.019 -11.922 7.883 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.377 -12.246 7.365 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.203 -9.998 6.572 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.087 -10.916 5.581 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.472 -8.424 6.476 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.234 -9.644 6.249 1.00 0.39 H new ATOM 854 N GLY A 55 8.444 -10.606 11.094 1.00 0.43 N ATOM 855 CA GLY A 55 9.446 -10.324 12.099 1.00 0.46 C ATOM 856 C GLY A 55 9.649 -8.836 12.316 1.00 0.41 C ATOM 857 O GLY A 55 10.742 -8.401 12.675 1.00 0.43 O ATOM 0 H GLY A 55 7.586 -11.027 11.452 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.152 -10.788 13.040 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.392 -10.777 11.802 1.00 0.46 H new ATOM 861 N GLY A 56 8.605 -8.054 12.086 1.00 0.37 N ATOM 862 CA GLY A 56 8.709 -6.624 12.268 1.00 0.34 C ATOM 863 C GLY A 56 7.426 -6.015 12.791 1.00 0.35 C ATOM 864 O GLY A 56 6.530 -6.734 13.245 1.00 0.41 O ATOM 0 H GLY A 56 7.691 -8.384 11.777 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.521 -6.407 12.962 1.00 0.34 H new ATOM 0 HA3 GLY A 56 8.969 -6.157 11.318 1.00 0.34 H new ATOM 868 N ARG A 57 7.341 -4.691 12.727 1.00 0.34 N ATOM 869 CA ARG A 57 6.167 -3.969 13.202 1.00 0.38 C ATOM 870 C ARG A 57 5.040 -4.051 12.177 1.00 0.31 C ATOM 871 O ARG A 57 5.277 -3.990 10.970 1.00 0.28 O ATOM 872 CB ARG A 57 6.520 -2.502 13.510 1.00 0.45 C ATOM 873 CG ARG A 57 6.871 -1.658 12.287 1.00 0.43 C ATOM 874 CD ARG A 57 5.687 -0.817 11.818 1.00 0.53 C ATOM 875 NE ARG A 57 5.389 0.280 12.743 1.00 1.58 N ATOM 876 CZ ARG A 57 4.291 1.038 12.675 1.00 2.33 C ATOM 877 NH1 ARG A 57 3.389 0.837 11.725 1.00 2.27 N ATOM 878 NH2 ARG A 57 4.099 2.013 13.554 1.00 3.34 N ATOM 0 H ARG A 57 8.076 -4.093 12.349 1.00 0.34 H new ATOM 0 HA ARG A 57 5.825 -4.436 14.125 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.677 -2.040 14.023 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.363 -2.483 14.201 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.709 -1.004 12.526 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.197 -2.310 11.477 1.00 0.43 H new ATOM 0 HD2 ARG A 57 5.901 -0.409 10.830 1.00 0.53 H new ATOM 0 HD3 ARG A 57 4.808 -1.454 11.716 1.00 0.53 H new ATOM 0 HE ARG A 57 6.061 0.477 13.484 1.00 1.58 H new ATOM 0 HH11 ARG A 57 3.530 0.098 11.037 1.00 2.27 H new ATOM 0 HH12 ARG A 57 2.554 1.422 11.682 1.00 2.27 H new ATOM 0 HH21 ARG A 57 4.791 2.185 14.284 1.00 3.34 H new ATOM 0 HH22 ARG A 57 3.260 2.590 13.500 1.00 3.34 H new ATOM 892 N THR A 58 3.820 -4.210 12.662 1.00 0.36 N ATOM 893 CA THR A 58 2.666 -4.295 11.791 1.00 0.31 C ATOM 894 C THR A 58 2.002 -2.926 11.640 1.00 0.28 C ATOM 895 O THR A 58 2.196 -2.029 12.468 1.00 0.33 O ATOM 896 CB THR A 58 1.643 -5.330 12.311 1.00 0.35 C ATOM 897 OG1 THR A 58 0.661 -5.599 11.303 1.00 0.34 O ATOM 898 CG2 THR A 58 0.947 -4.844 13.577 1.00 0.39 C ATOM 0 H THR A 58 3.606 -4.283 13.657 1.00 0.36 H new ATOM 0 HA THR A 58 3.015 -4.626 10.813 1.00 0.31 H new ATOM 0 HB THR A 58 2.190 -6.242 12.550 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.634 -6.562 11.121 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.235 -5.598 13.913 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.689 -4.672 14.357 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.419 -3.914 13.368 1.00 0.39 H new ATOM 906 N THR A 59 1.242 -2.769 10.571 1.00 0.25 N ATOM 907 CA THR A 59 0.552 -1.522 10.283 1.00 0.27 C ATOM 908 C THR A 59 -0.872 -1.822 9.810 1.00 0.24 C ATOM 909 O THR A 59 -1.068 -2.615 8.899 1.00 0.36 O ATOM 910 CB THR A 59 1.313 -0.723 9.201 1.00 0.32 C ATOM 911 OG1 THR A 59 2.720 -1.008 9.301 1.00 0.49 O ATOM 912 CG2 THR A 59 1.092 0.773 9.356 1.00 0.48 C ATOM 0 H THR A 59 1.085 -3.501 9.878 1.00 0.25 H new ATOM 0 HA THR A 59 0.511 -0.921 11.191 1.00 0.27 H new ATOM 0 HB THR A 59 0.932 -1.024 8.225 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.230 -0.297 8.859 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.641 1.304 8.579 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.029 0.995 9.265 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.447 1.094 10.335 1.00 0.48 H new ATOM 920 N THR A 60 -1.866 -1.222 10.448 1.00 0.26 N ATOM 921 CA THR A 60 -3.258 -1.454 10.078 1.00 0.23 C ATOM 922 C THR A 60 -4.049 -0.148 10.052 1.00 0.22 C ATOM 923 O THR A 60 -4.133 0.555 11.061 1.00 0.26 O ATOM 924 CB THR A 60 -3.934 -2.435 11.057 1.00 0.25 C ATOM 925 OG1 THR A 60 -3.055 -3.536 11.319 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.250 -2.952 10.490 1.00 0.24 C ATOM 0 H THR A 60 -1.737 -0.572 11.223 1.00 0.26 H new ATOM 0 HA THR A 60 -3.255 -1.888 9.078 1.00 0.23 H new ATOM 0 HB THR A 60 -4.146 -1.904 11.985 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.486 -4.157 11.942 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.706 -3.642 11.200 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.924 -2.114 10.314 1.00 0.24 H new ATOM 0 HG23 THR A 60 -5.062 -3.471 9.550 1.00 0.24 H new ATOM 934 N ASN A 61 -4.623 0.176 8.900 1.00 0.25 N ATOM 935 CA ASN A 61 -5.402 1.400 8.759 1.00 0.26 C ATOM 936 C ASN A 61 -6.752 1.114 8.137 1.00 0.29 C ATOM 937 O ASN A 61 -6.885 0.242 7.279 1.00 0.51 O ATOM 938 CB ASN A 61 -4.648 2.432 7.909 1.00 0.36 C ATOM 939 CG ASN A 61 -3.289 2.767 8.487 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.281 2.169 8.120 1.00 1.43 O ATOM 941 ND2 ASN A 61 -3.255 3.727 9.394 1.00 1.72 N ATOM 0 H ASN A 61 -4.564 -0.389 8.053 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.556 1.810 9.757 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.525 2.046 6.897 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -5.243 3.342 7.833 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -2.367 3.997 9.818 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -4.116 4.198 9.670 1.00 1.72 H new ATOM 948 N SER A 62 -7.751 1.841 8.596 1.00 0.21 N ATOM 949 CA SER A 62 -9.098 1.697 8.099 1.00 0.25 C ATOM 950 C SER A 62 -9.522 2.986 7.418 1.00 0.23 C ATOM 951 O SER A 62 -9.383 4.067 7.992 1.00 0.29 O ATOM 952 CB SER A 62 -10.030 1.353 9.258 1.00 0.34 C ATOM 953 OG SER A 62 -9.854 2.251 10.342 1.00 1.04 O ATOM 0 H SER A 62 -7.648 2.548 9.324 1.00 0.21 H new ATOM 0 HA SER A 62 -9.147 0.890 7.368 1.00 0.25 H new ATOM 0 HB2 SER A 62 -11.065 1.387 8.918 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.838 0.333 9.592 1.00 0.34 H new ATOM 0 HG SER A 62 -9.736 3.161 9.997 1.00 1.04 H new ATOM 959 N PHE A 63 -10.016 2.880 6.199 1.00 0.18 N ATOM 960 CA PHE A 63 -10.422 4.061 5.462 1.00 0.17 C ATOM 961 C PHE A 63 -11.806 3.886 4.866 1.00 0.18 C ATOM 962 O PHE A 63 -12.159 2.810 4.383 1.00 0.24 O ATOM 963 CB PHE A 63 -9.406 4.381 4.356 1.00 0.17 C ATOM 964 CG PHE A 63 -9.209 3.270 3.363 1.00 0.18 C ATOM 965 CD1 PHE A 63 -10.060 3.138 2.277 1.00 0.86 C ATOM 966 CD2 PHE A 63 -8.176 2.361 3.515 1.00 0.88 C ATOM 967 CE1 PHE A 63 -9.886 2.120 1.363 1.00 0.88 C ATOM 968 CE2 PHE A 63 -7.995 1.341 2.603 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.852 1.221 1.525 1.00 0.23 C ATOM 0 H PHE A 63 -10.145 1.998 5.703 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.456 4.896 6.162 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.733 5.275 3.825 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.446 4.617 4.816 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -10.869 3.841 2.145 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -7.505 2.451 4.356 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -10.558 2.027 0.522 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -7.185 0.638 2.731 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.712 0.424 0.810 1.00 0.23 H new ATOM 979 N THR A 64 -12.586 4.941 4.916 1.00 0.17 N ATOM 980 CA THR A 64 -13.920 4.929 4.364 1.00 0.19 C ATOM 981 C THR A 64 -13.945 5.755 3.085 1.00 0.18 C ATOM 982 O THR A 64 -13.414 6.867 3.048 1.00 0.19 O ATOM 983 CB THR A 64 -14.940 5.478 5.387 1.00 0.21 C ATOM 984 OG1 THR A 64 -15.059 4.581 6.501 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.305 5.691 4.755 1.00 0.22 C ATOM 0 H THR A 64 -12.315 5.829 5.339 1.00 0.17 H new ATOM 0 HA THR A 64 -14.201 3.902 4.132 1.00 0.19 H new ATOM 0 HB THR A 64 -14.571 6.443 5.734 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.281 3.985 6.526 1.00 0.25 H new ATOM 0 HG21 THR A 64 -16.996 6.078 5.504 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.220 6.406 3.937 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.680 4.743 4.370 1.00 0.22 H new ATOM 993 N ILE A 65 -14.509 5.186 2.027 1.00 0.18 N ATOM 994 CA ILE A 65 -14.605 5.870 0.744 1.00 0.18 C ATOM 995 C ILE A 65 -15.283 7.241 0.892 1.00 0.21 C ATOM 996 O ILE A 65 -16.382 7.342 1.434 1.00 0.24 O ATOM 997 CB ILE A 65 -15.383 5.007 -0.273 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.700 3.645 -0.444 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.511 5.713 -1.614 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.254 3.731 -0.895 1.00 0.19 C ATOM 0 H ILE A 65 -14.909 4.248 2.033 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.591 6.027 0.377 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.389 4.850 0.116 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.743 3.107 0.503 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.262 3.057 -1.170 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -16.064 5.079 -2.308 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -16.043 6.655 -1.480 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.518 5.912 -2.017 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.843 2.726 -0.992 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -13.203 4.239 -1.858 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.676 4.290 -0.159 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.589 8.279 0.416 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.046 9.673 0.464 1.00 0.23 C ATOM 1014 C ASP A 66 -15.029 10.194 1.898 1.00 0.23 C ATOM 1015 O ASP A 66 -15.814 11.064 2.271 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.439 9.837 -0.159 1.00 0.27 C ATOM 1017 CG ASP A 66 -16.663 11.232 -0.720 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -15.740 11.779 -1.362 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -17.770 11.783 -0.544 1.00 1.10 O ATOM 0 H ASP A 66 -13.674 8.172 -0.023 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.352 10.268 -0.130 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.566 9.104 -0.955 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.198 9.625 0.594 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.120 9.651 2.698 1.00 0.21 N ATOM 1025 CA LYS A 67 -13.989 10.040 4.094 1.00 0.22 C ATOM 1026 C LYS A 67 -12.523 10.174 4.495 1.00 0.21 C ATOM 1027 O LYS A 67 -11.650 9.527 3.909 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.669 8.980 4.961 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.663 9.274 6.452 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.834 10.165 6.843 1.00 0.35 C ATOM 1031 CE LYS A 67 -17.125 9.682 6.203 1.00 1.15 C ATOM 1032 NZ LYS A 67 -18.335 10.243 6.861 1.00 1.59 N ATOM 0 H LYS A 67 -13.458 8.934 2.400 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.463 11.011 4.238 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.702 8.870 4.631 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.176 8.022 4.792 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.712 8.339 7.010 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.726 9.759 6.726 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -15.943 10.173 7.928 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -15.633 11.191 6.535 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -17.129 9.958 5.148 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -17.163 8.594 6.248 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -19.187 9.882 6.386 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -18.349 9.959 7.861 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -18.316 11.281 6.796 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.262 11.035 5.478 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.917 11.227 6.004 1.00 0.26 C ATOM 1048 C GLU A 68 -10.539 10.006 6.828 1.00 0.23 C ATOM 1049 O GLU A 68 -11.315 9.565 7.678 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.846 12.484 6.885 1.00 0.34 C ATOM 1051 CG GLU A 68 -11.037 13.782 6.124 1.00 1.35 C ATOM 1052 CD GLU A 68 -9.825 14.152 5.295 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -8.713 14.201 5.855 1.00 2.51 O ATOM 1054 OE2 GLU A 68 -9.987 14.414 4.085 1.00 2.55 O ATOM 0 H GLU A 68 -12.972 11.613 5.927 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.224 11.356 5.172 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -11.608 12.415 7.661 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -9.879 12.509 7.388 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -11.906 13.693 5.472 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -11.250 14.585 6.830 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.370 9.451 6.584 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.949 8.271 7.318 1.00 0.18 C ATOM 1063 C ALA A 69 -7.564 8.433 7.908 1.00 0.21 C ATOM 1064 O ALA A 69 -6.644 8.893 7.235 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.991 7.053 6.420 1.00 0.18 C ATOM 0 H ALA A 69 -8.701 9.791 5.893 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.646 8.137 8.145 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.673 6.175 6.982 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -10.008 6.903 6.058 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.322 7.203 5.572 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.429 8.021 9.163 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.158 8.105 9.876 1.00 0.24 C ATOM 1073 C ASP A 70 -5.217 7.043 9.342 1.00 0.22 C ATOM 1074 O ASP A 70 -5.494 5.845 9.439 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.361 7.895 11.377 1.00 0.31 C ATOM 1076 CG ASP A 70 -5.080 8.076 12.176 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -4.793 9.216 12.598 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -4.358 7.079 12.394 1.00 1.87 O ATOM 0 H ASP A 70 -8.190 7.622 9.712 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.734 9.097 9.720 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -7.112 8.597 11.739 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -6.753 6.892 11.549 1.00 0.31 H new ATOM 1083 N MET A 71 -4.115 7.474 8.764 1.00 0.20 N ATOM 1084 CA MET A 71 -3.165 6.530 8.187 1.00 0.20 C ATOM 1085 C MET A 71 -1.774 6.597 8.820 1.00 0.22 C ATOM 1086 O MET A 71 -1.444 7.523 9.560 1.00 0.26 O ATOM 1087 CB MET A 71 -3.067 6.769 6.689 1.00 0.22 C ATOM 1088 CG MET A 71 -4.413 6.710 6.005 1.00 0.19 C ATOM 1089 SD MET A 71 -4.434 7.561 4.428 1.00 0.20 S ATOM 1090 CE MET A 71 -6.173 7.415 4.046 1.00 0.20 C ATOM 0 H MET A 71 -3.852 8.456 8.679 1.00 0.20 H new ATOM 0 HA MET A 71 -3.545 5.530 8.395 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.614 7.744 6.509 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.406 6.023 6.248 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.692 5.667 5.853 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.166 7.149 6.659 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.340 7.680 3.002 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.498 6.389 4.216 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.744 8.087 4.687 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.975 5.576 8.535 1.00 0.24 N ATOM 1101 CA GLU A 72 0.388 5.483 9.027 1.00 0.25 C ATOM 1102 C GLU A 72 1.199 4.601 8.086 1.00 0.26 C ATOM 1103 O GLU A 72 0.674 3.629 7.542 1.00 0.29 O ATOM 1104 CB GLU A 72 0.417 4.904 10.451 1.00 0.28 C ATOM 1105 CG GLU A 72 1.803 4.465 10.911 1.00 0.30 C ATOM 1106 CD GLU A 72 1.813 3.885 12.308 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.533 2.677 12.455 1.00 1.47 O ATOM 1108 OE2 GLU A 72 2.126 4.626 13.262 1.00 1.32 O ATOM 0 H GLU A 72 -1.258 4.787 7.953 1.00 0.24 H new ATOM 0 HA GLU A 72 0.822 6.482 9.061 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.035 5.653 11.145 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.259 4.050 10.499 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.192 3.723 10.214 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.478 5.320 10.875 1.00 0.30 H new ATOM 1115 N THR A 73 2.455 4.948 7.865 1.00 0.26 N ATOM 1116 CA THR A 73 3.304 4.152 6.998 1.00 0.28 C ATOM 1117 C THR A 73 4.178 3.238 7.834 1.00 0.30 C ATOM 1118 O THR A 73 4.221 3.353 9.061 1.00 0.36 O ATOM 1119 CB THR A 73 4.226 5.017 6.115 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.190 5.689 6.932 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.433 6.040 5.321 1.00 0.32 C ATOM 0 H THR A 73 2.906 5.768 8.270 1.00 0.26 H new ATOM 0 HA THR A 73 2.640 3.581 6.349 1.00 0.28 H new ATOM 0 HB THR A 73 4.732 4.357 5.411 1.00 0.28 H new ATOM 0 HG1 THR A 73 6.044 5.743 6.454 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.113 6.633 4.709 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.719 5.527 4.676 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.896 6.696 6.006 1.00 0.32 H new ATOM 1129 N MET A 74 4.903 2.355 7.169 1.00 0.32 N ATOM 1130 CA MET A 74 5.787 1.441 7.861 1.00 0.34 C ATOM 1131 C MET A 74 7.053 2.165 8.306 1.00 0.31 C ATOM 1132 O MET A 74 7.836 1.638 9.095 1.00 0.37 O ATOM 1133 CB MET A 74 6.166 0.268 6.963 1.00 0.42 C ATOM 1134 CG MET A 74 5.237 -0.924 7.065 1.00 0.76 C ATOM 1135 SD MET A 74 5.830 -2.324 6.095 1.00 0.93 S ATOM 1136 CE MET A 74 4.536 -3.526 6.403 1.00 1.05 C ATOM 0 H MET A 74 4.895 2.254 6.154 1.00 0.32 H new ATOM 0 HA MET A 74 5.259 1.061 8.735 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.186 0.610 5.928 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.177 -0.053 7.212 1.00 0.42 H new ATOM 0 HG2 MET A 74 5.141 -1.221 8.109 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.242 -0.640 6.721 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.985 -4.487 6.656 1.00 1.05 H new ATOM 0 HE2 MET A 74 3.914 -3.187 7.231 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.922 -3.636 5.509 1.00 1.05 H new ATOM 1146 N GLY A 75 7.254 3.376 7.783 1.00 0.28 N ATOM 1147 CA GLY A 75 8.420 4.157 8.146 1.00 0.31 C ATOM 1148 C GLY A 75 8.193 4.922 9.428 1.00 0.35 C ATOM 1149 O GLY A 75 9.117 5.523 9.983 1.00 0.48 O ATOM 0 H GLY A 75 6.628 3.826 7.115 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.280 3.497 8.261 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.658 4.854 7.342 1.00 0.31 H new ATOM 1153 N GLY A 76 6.953 4.889 9.899 1.00 0.34 N ATOM 1154 CA GLY A 76 6.603 5.579 11.116 1.00 0.39 C ATOM 1155 C GLY A 76 6.043 6.961 10.858 1.00 0.38 C ATOM 1156 O GLY A 76 6.265 7.880 11.642 1.00 0.48 O ATOM 0 H GLY A 76 6.182 4.392 9.453 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.869 4.990 11.666 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.486 5.661 11.750 1.00 0.39 H new ATOM 1160 N ARG A 77 5.337 7.123 9.751 1.00 0.38 N ATOM 1161 CA ARG A 77 4.745 8.413 9.427 1.00 0.38 C ATOM 1162 C ARG A 77 3.286 8.450 9.850 1.00 0.37 C ATOM 1163 O ARG A 77 2.500 7.588 9.456 1.00 0.36 O ATOM 1164 CB ARG A 77 4.834 8.708 7.931 1.00 0.37 C ATOM 1165 CG ARG A 77 6.209 8.530 7.335 1.00 0.39 C ATOM 1166 CD ARG A 77 6.180 8.805 5.848 1.00 0.43 C ATOM 1167 NE ARG A 77 6.575 10.176 5.528 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.527 10.493 4.653 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.218 9.548 4.035 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.785 11.767 4.394 1.00 0.85 N ATOM 0 H ARG A 77 5.160 6.387 9.067 1.00 0.38 H new ATOM 0 HA ARG A 77 5.307 9.172 9.970 1.00 0.38 H new ATOM 0 HB2 ARG A 77 4.137 8.057 7.404 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.507 9.733 7.756 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.913 9.204 7.822 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.562 7.515 7.517 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.847 8.109 5.339 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.176 8.620 5.466 1.00 0.43 H new ATOM 0 HE ARG A 77 6.091 10.937 6.005 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.023 8.565 4.227 1.00 0.80 H new ATOM 0 HH12 ARG A 77 8.945 9.802 3.366 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.255 12.501 4.864 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.514 12.014 3.724 1.00 0.85 H new ATOM 1184 N LYS A 78 2.930 9.442 10.652 1.00 0.42 N ATOM 1185 CA LYS A 78 1.559 9.598 11.108 1.00 0.43 C ATOM 1186 C LYS A 78 0.896 10.707 10.304 1.00 0.39 C ATOM 1187 O LYS A 78 1.390 11.836 10.259 1.00 0.44 O ATOM 1188 CB LYS A 78 1.503 9.880 12.614 1.00 0.57 C ATOM 1189 CG LYS A 78 1.931 8.688 13.466 1.00 0.75 C ATOM 1190 CD LYS A 78 3.435 8.665 13.698 1.00 1.12 C ATOM 1191 CE LYS A 78 3.977 7.244 13.802 1.00 1.69 C ATOM 1192 NZ LYS A 78 3.285 6.437 14.845 1.00 1.76 N ATOM 0 H LYS A 78 3.574 10.152 11.001 1.00 0.42 H new ATOM 0 HA LYS A 78 1.015 8.668 10.946 1.00 0.43 H new ATOM 0 HB2 LYS A 78 2.146 10.730 12.842 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.487 10.166 12.886 1.00 0.57 H new ATOM 0 HG2 LYS A 78 1.416 8.725 14.426 1.00 0.75 H new ATOM 0 HG3 LYS A 78 1.625 7.764 12.976 1.00 0.75 H new ATOM 0 HD2 LYS A 78 3.935 9.185 12.881 1.00 1.12 H new ATOM 0 HD3 LYS A 78 3.669 9.210 14.613 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.872 6.749 12.837 1.00 1.69 H new ATOM 0 HE3 LYS A 78 5.043 7.282 14.027 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 3.992 5.957 15.438 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 2.702 7.062 15.438 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 2.677 5.728 14.388 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.204 10.362 9.651 1.00 0.33 N ATOM 1207 CA PHE A 79 -0.933 11.288 8.791 1.00 0.31 C ATOM 1208 C PHE A 79 -2.330 10.744 8.514 1.00 0.28 C ATOM 1209 O PHE A 79 -2.712 9.715 9.050 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.177 11.460 7.463 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.061 10.169 6.690 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.924 9.245 7.000 1.00 1.17 C ATOM 1213 CD2 PHE A 79 -0.955 9.871 5.672 1.00 1.07 C ATOM 1214 CE1 PHE A 79 1.011 8.050 6.318 1.00 1.16 C ATOM 1215 CE2 PHE A 79 -0.868 8.676 4.981 1.00 1.09 C ATOM 1216 CZ PHE A 79 0.112 7.761 5.302 1.00 0.26 C ATOM 0 H PHE A 79 -0.618 9.431 9.701 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.015 12.253 9.291 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.690 12.201 6.850 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.821 11.849 7.665 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.632 9.464 7.785 1.00 1.17 H new ATOM 0 HD2 PHE A 79 -1.728 10.580 5.416 1.00 1.07 H new ATOM 0 HE1 PHE A 79 1.781 7.337 6.575 1.00 1.16 H new ATOM 0 HE2 PHE A 79 -1.569 8.459 4.189 1.00 1.09 H new ATOM 0 HZ PHE A 79 0.179 6.826 4.766 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.114 11.473 7.744 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.433 11.025 7.353 1.00 0.33 C ATOM 1228 C LYS A 80 -4.745 11.565 5.961 1.00 0.27 C ATOM 1229 O LYS A 80 -4.192 12.592 5.551 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.477 11.462 8.369 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.786 12.932 8.322 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.140 13.659 9.483 1.00 0.81 C ATOM 1233 CE LYS A 80 -5.194 15.161 9.300 1.00 1.64 C ATOM 1234 NZ LYS A 80 -4.324 15.859 10.277 1.00 2.55 N ATOM 0 H LYS A 80 -2.855 12.388 7.374 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.457 9.936 7.324 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -6.396 10.901 8.197 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -5.128 11.205 9.369 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -5.430 13.352 7.381 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -6.865 13.082 8.350 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -5.645 13.387 10.410 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.102 13.341 9.580 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -4.883 15.417 8.287 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -6.222 15.506 9.415 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -4.384 16.886 10.124 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -4.637 15.634 11.243 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -3.340 15.547 10.150 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.616 10.882 5.236 1.00 0.24 N ATOM 1249 CA ALA A 81 -5.952 11.293 3.879 1.00 0.20 C ATOM 1250 C ALA A 81 -7.332 10.806 3.459 1.00 0.19 C ATOM 1251 O ALA A 81 -7.935 9.954 4.115 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.892 10.794 2.909 1.00 0.21 C ATOM 0 H ALA A 81 -6.101 10.045 5.560 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.977 12.383 3.858 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.150 11.105 1.897 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.923 11.213 3.182 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.842 9.706 2.953 1.00 0.21 H new ATOM 1258 N THR A 82 -7.847 11.395 2.386 1.00 0.19 N ATOM 1259 CA THR A 82 -9.147 11.025 1.850 1.00 0.19 C ATOM 1260 C THR A 82 -8.988 9.968 0.759 1.00 0.20 C ATOM 1261 O THR A 82 -8.090 10.057 -0.087 1.00 0.28 O ATOM 1262 CB THR A 82 -9.879 12.247 1.267 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.311 13.451 1.800 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.368 12.190 1.588 1.00 0.25 C ATOM 0 H THR A 82 -7.377 12.137 1.868 1.00 0.19 H new ATOM 0 HA THR A 82 -9.739 10.621 2.671 1.00 0.19 H new ATOM 0 HB THR A 82 -9.760 12.238 0.184 1.00 0.23 H new ATOM 0 HG1 THR A 82 -9.475 13.491 2.765 1.00 0.33 H new ATOM 0 HG21 THR A 82 -11.865 13.064 1.166 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.798 11.285 1.159 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.507 12.180 2.669 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.853 8.968 0.783 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.810 7.890 -0.190 1.00 0.15 C ATOM 1274 C VAL A 83 -11.149 7.800 -0.906 1.00 0.16 C ATOM 1275 O VAL A 83 -12.175 8.041 -0.295 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.520 6.536 0.492 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.438 5.432 -0.539 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.245 6.597 1.310 1.00 0.19 C ATOM 0 H VAL A 83 -10.600 8.881 1.472 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.011 8.105 -0.899 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.344 6.318 1.172 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.233 4.484 -0.042 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.385 5.363 -1.075 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.637 5.652 -1.245 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -8.067 5.629 1.778 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.407 6.845 0.659 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.344 7.361 2.081 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.145 7.471 -2.189 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.387 7.354 -2.934 1.00 0.19 C ATOM 1290 C LYS A 84 -12.335 6.171 -3.898 1.00 0.19 C ATOM 1291 O LYS A 84 -11.294 5.540 -4.060 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.679 8.642 -3.681 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.670 8.952 -4.756 1.00 0.26 C ATOM 1294 CD LYS A 84 -10.793 10.136 -4.388 1.00 0.42 C ATOM 1295 CE LYS A 84 -10.131 10.736 -5.619 1.00 0.49 C ATOM 1296 NZ LYS A 84 -11.138 11.234 -6.596 1.00 1.14 N ATOM 0 H LYS A 84 -10.302 7.282 -2.731 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.195 7.175 -2.225 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.670 8.576 -4.131 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.706 9.468 -2.970 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -11.044 8.077 -4.929 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -12.189 9.162 -5.691 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -11.394 10.896 -3.889 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -10.028 9.819 -3.679 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.479 11.556 -5.319 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.501 9.985 -6.096 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -10.664 11.812 -7.319 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -11.608 10.426 -7.052 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -11.847 11.812 -6.100 1.00 1.14 H new ATOM 1310 N MET A 85 -13.461 5.864 -4.522 1.00 0.21 N ATOM 1311 CA MET A 85 -13.533 4.750 -5.459 1.00 0.22 C ATOM 1312 C MET A 85 -13.956 5.235 -6.836 1.00 0.28 C ATOM 1313 O MET A 85 -15.014 5.849 -6.982 1.00 0.41 O ATOM 1314 CB MET A 85 -14.515 3.696 -4.951 1.00 0.23 C ATOM 1315 CG MET A 85 -13.854 2.391 -4.564 1.00 0.21 C ATOM 1316 SD MET A 85 -15.042 1.145 -4.033 1.00 0.26 S ATOM 1317 CE MET A 85 -13.976 0.073 -3.079 1.00 0.25 C ATOM 0 H MET A 85 -14.338 6.369 -4.398 1.00 0.21 H new ATOM 0 HA MET A 85 -12.542 4.303 -5.538 1.00 0.22 H new ATOM 0 HB2 MET A 85 -15.048 4.094 -4.088 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.259 3.502 -5.724 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.287 2.009 -5.413 1.00 0.21 H new ATOM 0 HG3 MET A 85 -13.140 2.573 -3.760 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.538 -0.801 -2.751 1.00 0.25 H new ATOM 0 HE2 MET A 85 -13.136 -0.246 -3.695 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.603 0.612 -2.208 1.00 0.25 H new ATOM 1327 N GLU A 86 -13.132 4.968 -7.840 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.436 5.391 -9.200 1.00 0.32 C ATOM 1329 C GLU A 86 -13.522 4.192 -10.138 1.00 0.29 C ATOM 1330 O GLU A 86 -12.505 3.692 -10.620 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.368 6.363 -9.717 1.00 0.48 C ATOM 1332 CG GLU A 86 -12.018 7.483 -8.749 1.00 1.22 C ATOM 1333 CD GLU A 86 -13.120 8.510 -8.589 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -14.123 8.444 -9.329 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -12.990 9.392 -7.715 1.00 2.46 O ATOM 0 H GLU A 86 -12.252 4.463 -7.739 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.402 5.895 -9.179 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.463 5.801 -9.946 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.716 6.802 -10.652 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -11.790 7.052 -7.774 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -11.114 7.983 -9.096 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.740 3.725 -10.375 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.953 2.598 -11.269 1.00 0.46 C ATOM 1344 C GLY A 87 -14.468 1.280 -10.694 1.00 0.38 C ATOM 1345 O GLY A 87 -13.946 0.435 -11.424 1.00 0.36 O ATOM 0 H GLY A 87 -15.591 4.107 -9.963 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -16.016 2.519 -11.497 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.439 2.787 -12.211 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.645 1.098 -9.391 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.220 -0.132 -8.750 1.00 0.33 C ATOM 1351 C GLY A 88 -12.737 -0.128 -8.445 1.00 0.27 C ATOM 1352 O GLY A 88 -12.098 -1.180 -8.410 1.00 0.32 O ATOM 0 H GLY A 88 -15.075 1.780 -8.767 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.780 -0.272 -7.825 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.455 -0.978 -9.396 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.191 1.064 -8.237 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.779 1.222 -7.926 1.00 0.19 C ATOM 1358 C LYS A 89 -10.613 2.184 -6.762 1.00 0.17 C ATOM 1359 O LYS A 89 -11.061 3.329 -6.827 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.998 1.758 -9.128 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.130 0.924 -10.389 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.065 1.307 -11.405 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.215 0.527 -12.699 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.981 0.589 -13.527 1.00 1.76 N ATOM 0 H LYS A 89 -12.711 1.941 -8.279 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.385 0.240 -7.664 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.336 2.772 -9.342 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.944 1.823 -8.860 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.039 -0.134 -10.142 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.120 1.066 -10.822 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -9.130 2.375 -11.614 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -8.077 1.124 -10.983 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -9.448 -0.513 -12.472 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -10.055 0.925 -13.268 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -8.213 0.354 -14.513 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.582 1.549 -13.484 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.284 -0.092 -13.163 1.00 1.76 H new ATOM 1378 N ILE A 90 -10.000 1.716 -5.692 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.773 2.556 -4.533 1.00 0.16 C ATOM 1380 C ILE A 90 -8.572 3.457 -4.771 1.00 0.17 C ATOM 1381 O ILE A 90 -7.436 2.987 -4.841 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.537 1.730 -3.259 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.542 0.575 -3.168 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.650 2.626 -2.049 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.753 0.043 -1.764 1.00 0.20 C ATOM 0 H ILE A 90 -9.651 0.762 -5.601 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.672 3.155 -4.388 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.535 1.302 -3.295 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.500 0.910 -3.565 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -10.200 -0.240 -3.806 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.483 2.040 -1.145 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.903 3.418 -2.112 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.646 3.068 -2.015 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.478 -0.771 -1.788 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.807 -0.326 -1.368 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -11.127 0.842 -1.124 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.826 4.744 -4.914 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.768 5.704 -5.146 1.00 0.17 C ATOM 1399 C VAL A 91 -7.636 6.661 -3.965 1.00 0.16 C ATOM 1400 O VAL A 91 -8.627 7.187 -3.455 1.00 0.16 O ATOM 1401 CB VAL A 91 -7.994 6.493 -6.458 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.380 7.107 -6.497 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -6.928 7.567 -6.639 1.00 0.25 C ATOM 0 H VAL A 91 -9.761 5.149 -4.873 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.837 5.146 -5.248 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.913 5.788 -7.285 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.509 7.655 -7.430 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.129 6.318 -6.433 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.499 7.790 -5.656 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.110 8.107 -7.568 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -6.967 8.263 -5.801 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -5.944 7.100 -6.677 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.407 6.850 -3.527 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.104 7.729 -2.415 1.00 0.19 C ATOM 1415 C ALA A 92 -5.408 8.985 -2.921 1.00 0.20 C ATOM 1416 O ALA A 92 -4.518 8.908 -3.771 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.241 7.003 -1.394 1.00 0.22 C ATOM 0 H ALA A 92 -5.588 6.397 -3.933 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.033 8.024 -1.927 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.019 7.673 -0.563 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.775 6.128 -1.023 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.310 6.687 -1.864 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.821 10.136 -2.409 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.249 11.408 -2.831 1.00 0.26 C ATOM 1425 C ASP A 93 -4.108 11.843 -1.921 1.00 0.22 C ATOM 1426 O ASP A 93 -4.282 11.989 -0.707 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.330 12.484 -2.872 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.773 13.872 -3.128 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.471 14.190 -4.298 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.652 14.663 -2.163 1.00 1.19 O ATOM 0 H ASP A 93 -6.550 10.216 -1.700 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.840 11.271 -3.832 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -7.051 12.238 -3.652 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.871 12.484 -1.926 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.945 12.056 -2.524 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.752 12.473 -1.794 1.00 0.21 C ATOM 1437 C PHE A 94 -0.925 13.442 -2.629 1.00 0.24 C ATOM 1438 O PHE A 94 -0.997 13.427 -3.860 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.892 11.261 -1.438 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.467 10.399 -0.361 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.294 10.732 0.971 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.179 9.256 -0.677 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -1.824 9.940 1.967 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.712 8.463 0.318 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.533 8.804 1.642 1.00 0.25 C ATOM 0 H PHE A 94 -2.801 11.946 -3.528 1.00 0.22 H new ATOM 0 HA PHE A 94 -2.075 12.970 -0.879 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.747 10.657 -2.333 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.093 11.607 -1.124 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.739 11.621 1.233 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.319 8.982 -1.712 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -1.683 10.210 3.003 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.270 7.575 0.060 1.00 1.27 H new ATOM 0 HZ PHE A 94 -2.947 8.183 2.422 1.00 0.25 H new ATOM 1455 N PRO A 95 -0.153 14.318 -1.976 1.00 0.26 N ATOM 1456 CA PRO A 95 0.704 15.270 -2.674 1.00 0.29 C ATOM 1457 C PRO A 95 1.956 14.591 -3.226 1.00 0.26 C ATOM 1458 O PRO A 95 2.771 14.064 -2.462 1.00 0.27 O ATOM 1459 CB PRO A 95 1.062 16.280 -1.583 1.00 0.36 C ATOM 1460 CG PRO A 95 0.985 15.519 -0.309 1.00 0.32 C ATOM 1461 CD PRO A 95 -0.075 14.472 -0.507 1.00 0.28 C ATOM 0 HA PRO A 95 0.219 15.724 -3.538 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.060 16.690 -1.738 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.369 17.121 -1.582 1.00 0.36 H new ATOM 0 HG2 PRO A 95 1.945 15.061 -0.071 1.00 0.32 H new ATOM 0 HG3 PRO A 95 0.731 16.177 0.522 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.194 13.534 -0.021 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -1.030 14.786 -0.087 1.00 0.28 H new ATOM 1469 N ASN A 96 2.072 14.571 -4.556 1.00 0.27 N ATOM 1470 CA ASN A 96 3.215 13.958 -5.241 1.00 0.29 C ATOM 1471 C ASN A 96 3.175 12.433 -5.081 1.00 0.28 C ATOM 1472 O ASN A 96 4.157 11.738 -5.328 1.00 0.37 O ATOM 1473 CB ASN A 96 4.540 14.529 -4.705 1.00 0.35 C ATOM 1474 CG ASN A 96 5.755 14.101 -5.517 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.696 13.994 -6.745 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.862 13.855 -4.836 1.00 1.50 N ATOM 0 H ASN A 96 1.381 14.977 -5.187 1.00 0.27 H new ATOM 0 HA ASN A 96 3.151 14.195 -6.303 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.482 15.617 -4.698 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.673 14.210 -3.671 1.00 0.35 H new ATOM 0 HD21 ASN A 96 7.708 13.565 -5.326 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.869 13.955 -3.821 1.00 1.50 H new ATOM 1483 N TYR A 97 2.018 11.918 -4.684 1.00 0.23 N ATOM 1484 CA TYR A 97 1.841 10.489 -4.484 1.00 0.21 C ATOM 1485 C TYR A 97 0.431 10.081 -4.890 1.00 0.21 C ATOM 1486 O TYR A 97 -0.552 10.656 -4.428 1.00 0.24 O ATOM 1487 CB TYR A 97 2.097 10.127 -3.017 1.00 0.22 C ATOM 1488 CG TYR A 97 2.364 8.655 -2.757 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.375 7.695 -2.944 1.00 1.14 C ATOM 1490 CD2 TYR A 97 3.609 8.230 -2.314 1.00 1.28 C ATOM 1491 CE1 TYR A 97 1.619 6.358 -2.689 1.00 1.14 C ATOM 1492 CE2 TYR A 97 3.861 6.894 -2.060 1.00 1.31 C ATOM 1493 CZ TYR A 97 2.863 5.963 -2.249 1.00 0.32 C ATOM 1494 OH TYR A 97 3.111 4.632 -1.991 1.00 0.38 O ATOM 0 H TYR A 97 1.185 12.474 -4.494 1.00 0.23 H new ATOM 0 HA TYR A 97 2.557 9.951 -5.105 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.950 10.704 -2.659 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.234 10.434 -2.427 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.400 7.999 -3.294 1.00 1.14 H new ATOM 0 HD2 TYR A 97 4.395 8.956 -2.165 1.00 1.28 H new ATOM 0 HE1 TYR A 97 0.838 5.627 -2.834 1.00 1.14 H new ATOM 0 HE2 TYR A 97 4.836 6.582 -1.715 1.00 1.31 H new ATOM 0 HH TYR A 97 4.037 4.524 -1.690 1.00 0.38 H new ATOM 1504 N HIS A 98 0.341 9.095 -5.762 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.937 8.603 -6.240 1.00 0.22 C ATOM 1506 C HIS A 98 -1.035 7.109 -5.971 1.00 0.21 C ATOM 1507 O HIS A 98 -0.248 6.332 -6.504 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.073 8.889 -7.736 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.486 8.928 -8.233 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.338 9.988 -8.012 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.190 8.029 -8.961 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.502 9.738 -8.580 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.441 8.556 -9.163 1.00 1.09 N ATOM 0 H HIS A 98 1.149 8.614 -6.158 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.747 9.110 -5.715 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.597 9.845 -7.955 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.527 8.126 -8.290 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.833 7.074 -9.317 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.362 10.392 -8.570 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.198 8.108 -9.679 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.996 6.712 -5.145 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.167 5.304 -4.792 1.00 0.22 C ATOM 1524 C HIS A 99 -3.512 4.782 -5.289 1.00 0.21 C ATOM 1525 O HIS A 99 -4.561 5.287 -4.891 1.00 0.23 O ATOM 1526 CB HIS A 99 -2.066 5.132 -3.269 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.541 3.795 -2.838 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.370 3.685 -2.130 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.070 2.559 -3.013 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.210 2.394 -1.889 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.215 1.678 -2.404 1.00 0.49 N ATOM 0 H HIS A 99 -2.668 7.342 -4.707 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.376 4.728 -5.272 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.418 5.911 -2.868 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -3.053 5.281 -2.831 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -2.986 2.316 -3.531 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.624 1.973 -1.347 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.325 0.665 -2.353 1.00 0.49 H new ATOM 1539 N THR A 100 -3.474 3.793 -6.172 1.00 0.22 N ATOM 1540 CA THR A 100 -4.694 3.197 -6.711 1.00 0.22 C ATOM 1541 C THR A 100 -4.682 1.679 -6.550 1.00 0.23 C ATOM 1542 O THR A 100 -3.713 1.014 -6.920 1.00 0.31 O ATOM 1543 CB THR A 100 -4.866 3.535 -8.207 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.653 3.256 -8.915 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.228 4.996 -8.399 1.00 0.24 C ATOM 0 H THR A 100 -2.611 3.385 -6.532 1.00 0.22 H new ATOM 0 HA THR A 100 -5.528 3.616 -6.147 1.00 0.22 H new ATOM 0 HB THR A 100 -5.675 2.918 -8.598 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.771 3.471 -9.864 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.343 5.206 -9.462 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.165 5.210 -7.884 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.437 5.624 -7.989 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.753 1.137 -5.992 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.875 -0.297 -5.795 1.00 0.23 C ATOM 1555 C ALA A 101 -6.991 -0.850 -6.663 1.00 0.22 C ATOM 1556 O ALA A 101 -8.101 -0.305 -6.684 1.00 0.23 O ATOM 1557 CB ALA A 101 -6.138 -0.610 -4.332 1.00 0.26 C ATOM 0 H ALA A 101 -6.556 1.675 -5.665 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.938 -0.771 -6.086 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -6.227 -1.688 -4.201 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -5.312 -0.238 -3.726 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -7.064 -0.129 -4.018 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.699 -1.926 -7.376 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.673 -2.551 -8.263 1.00 0.23 C ATOM 1565 C GLU A 102 -7.482 -4.060 -8.302 1.00 0.24 C ATOM 1566 O GLU A 102 -6.529 -4.595 -7.732 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.524 -2.012 -9.683 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.191 -2.378 -10.312 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.064 -1.926 -11.748 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -6.281 -0.730 -12.027 1.00 1.18 O ATOM 1571 OE2 GLU A 102 -5.765 -2.770 -12.615 1.00 1.38 O ATOM 0 H GLU A 102 -5.790 -2.389 -7.359 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.665 -2.317 -7.876 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.332 -2.402 -10.302 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.628 -0.927 -9.668 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.386 -1.934 -9.726 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.060 -3.459 -10.266 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.380 -4.730 -9.006 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.321 -6.172 -9.158 1.00 0.29 C ATOM 1580 C ILE A 103 -8.301 -6.528 -10.636 1.00 0.31 C ATOM 1581 O ILE A 103 -9.285 -6.326 -11.349 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.514 -6.890 -8.491 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.633 -6.494 -7.014 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.361 -8.398 -8.635 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.517 -7.022 -6.140 1.00 0.37 C ATOM 0 H ILE A 103 -9.166 -4.291 -9.485 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.410 -6.507 -8.662 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.431 -6.582 -8.994 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.653 -5.407 -6.941 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.585 -6.857 -6.627 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.207 -8.896 -8.162 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.330 -8.661 -9.692 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.436 -8.717 -8.154 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.676 -6.698 -5.112 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.508 -8.111 -6.180 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.562 -6.638 -6.498 1.00 0.37 H new ATOM 1597 N SER A 104 -7.175 -7.044 -11.097 1.00 0.34 N ATOM 1598 CA SER A 104 -7.033 -7.425 -12.490 1.00 0.38 C ATOM 1599 C SER A 104 -6.430 -8.818 -12.600 1.00 0.48 C ATOM 1600 O SER A 104 -5.244 -9.014 -12.336 1.00 0.88 O ATOM 1601 CB SER A 104 -6.171 -6.399 -13.231 1.00 0.55 C ATOM 1602 OG SER A 104 -6.803 -5.131 -13.250 1.00 1.37 O ATOM 0 H SER A 104 -6.346 -7.209 -10.526 1.00 0.34 H new ATOM 0 HA SER A 104 -8.020 -7.445 -12.953 1.00 0.38 H new ATOM 0 HB2 SER A 104 -5.198 -6.318 -12.747 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.993 -6.737 -14.252 1.00 0.55 H new ATOM 0 HG SER A 104 -6.153 -4.438 -13.008 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.262 -9.783 -12.966 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.808 -11.153 -13.100 1.00 0.64 C ATOM 1610 C GLY A 105 -6.861 -11.894 -11.784 1.00 0.63 C ATOM 1611 O GLY A 105 -6.097 -12.833 -11.557 1.00 0.96 O ATOM 0 H GLY A 105 -8.250 -9.640 -13.174 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.426 -11.671 -13.833 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.787 -11.162 -13.481 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.775 -11.472 -10.916 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.904 -12.093 -9.613 1.00 0.50 C ATOM 1617 C GLY A 106 -6.707 -11.789 -8.733 1.00 0.44 C ATOM 1618 O GLY A 106 -6.333 -12.590 -7.876 1.00 0.48 O ATOM 0 H GLY A 106 -8.429 -10.710 -11.093 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.813 -11.738 -9.128 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -8.006 -13.172 -9.731 1.00 0.50 H new ATOM 1622 N LYS A 107 -6.118 -10.621 -8.951 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.949 -10.192 -8.202 1.00 0.35 C ATOM 1624 C LYS A 107 -5.066 -8.727 -7.836 1.00 0.32 C ATOM 1625 O LYS A 107 -5.680 -7.938 -8.558 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.682 -10.400 -9.034 1.00 0.34 C ATOM 1627 CG LYS A 107 -3.046 -11.769 -8.870 1.00 0.38 C ATOM 1628 CD LYS A 107 -2.118 -12.096 -10.033 1.00 0.66 C ATOM 1629 CE LYS A 107 -0.969 -12.979 -9.589 1.00 0.75 C ATOM 1630 NZ LYS A 107 -1.396 -14.383 -9.358 1.00 1.22 N ATOM 0 H LYS A 107 -6.436 -9.949 -9.649 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.889 -10.789 -7.292 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.923 -10.248 -10.086 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.952 -9.638 -8.760 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.486 -11.801 -7.936 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.826 -12.528 -8.801 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.681 -12.597 -10.821 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.726 -11.172 -10.459 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.185 -12.960 -10.346 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -0.537 -12.577 -8.672 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.747 -14.837 -8.684 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -2.361 -14.393 -8.970 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -1.379 -14.904 -10.258 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.470 -8.374 -6.716 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.475 -7.007 -6.239 1.00 0.28 C ATOM 1646 C LEU A 108 -3.220 -6.309 -6.725 1.00 0.27 C ATOM 1647 O LEU A 108 -2.109 -6.674 -6.345 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.551 -6.995 -4.701 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.645 -5.617 -4.018 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.266 -5.000 -3.837 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.559 -4.680 -4.796 1.00 0.76 C ATOM 0 H LEU A 108 -3.969 -9.026 -6.112 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.345 -6.477 -6.627 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.418 -7.583 -4.400 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.669 -7.506 -4.314 1.00 0.29 H new ATOM 0 HG LEU A 108 -5.079 -5.767 -3.030 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.363 -4.028 -3.353 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.653 -5.655 -3.218 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -2.793 -4.874 -4.811 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.606 -3.715 -4.291 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.167 -4.543 -5.804 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.559 -5.110 -4.851 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.395 -5.336 -7.592 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.270 -4.585 -8.106 1.00 0.29 C ATOM 1665 C VAL A 109 -2.396 -3.124 -7.694 1.00 0.29 C ATOM 1666 O VAL A 109 -3.276 -2.399 -8.156 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.111 -4.725 -9.643 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.423 -4.472 -10.365 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -1.022 -3.792 -10.160 1.00 0.32 C ATOM 0 H VAL A 109 -4.303 -5.047 -7.955 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.363 -5.004 -7.669 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.813 -5.753 -9.851 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.273 -4.579 -11.439 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.168 -5.193 -10.029 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.770 -3.462 -10.145 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.927 -3.906 -11.240 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.285 -2.760 -9.926 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.073 -4.041 -9.684 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.530 -2.715 -6.789 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.525 -1.352 -6.298 1.00 0.30 C ATOM 1681 C GLU A 110 -0.504 -0.525 -7.058 1.00 0.28 C ATOM 1682 O GLU A 110 0.638 -0.948 -7.244 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.202 -1.320 -4.802 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.405 -1.531 -3.897 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.994 -1.713 -2.448 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.044 -1.033 -2.019 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -2.588 -2.557 -1.743 1.00 1.45 O ATOM 0 H GLU A 110 -0.815 -3.313 -6.376 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.518 -0.929 -6.453 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.460 -2.089 -4.586 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.745 -0.360 -4.561 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.077 -0.677 -3.980 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.961 -2.407 -4.230 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.927 0.634 -7.518 1.00 0.26 N ATOM 1695 CA ILE A 111 -0.050 1.527 -8.244 1.00 0.24 C ATOM 1696 C ILE A 111 0.211 2.778 -7.414 1.00 0.25 C ATOM 1697 O ILE A 111 -0.725 3.453 -6.982 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.635 1.920 -9.622 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.705 0.705 -10.557 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.202 3.015 -10.262 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.037 -0.014 -10.542 1.00 0.37 C ATOM 0 H ILE A 111 -1.879 0.981 -7.401 1.00 0.26 H new ATOM 0 HA ILE A 111 0.887 0.999 -8.424 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.647 2.292 -9.462 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.493 1.031 -11.575 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.079 0.000 -10.278 1.00 0.29 H new ATOM 0 HG21 ILE A 111 -0.223 3.279 -11.230 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.208 3.893 -9.616 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.223 2.659 -10.399 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.002 -0.859 -11.229 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.245 -0.374 -9.534 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.825 0.673 -10.851 1.00 0.37 H new ATOM 1713 N SER A 112 1.482 3.058 -7.173 1.00 0.23 N ATOM 1714 CA SER A 112 1.890 4.216 -6.397 1.00 0.24 C ATOM 1715 C SER A 112 2.811 5.095 -7.231 1.00 0.22 C ATOM 1716 O SER A 112 3.940 4.716 -7.535 1.00 0.25 O ATOM 1717 CB SER A 112 2.600 3.771 -5.120 1.00 0.28 C ATOM 1718 OG SER A 112 1.809 2.858 -4.378 1.00 0.37 O ATOM 0 H SER A 112 2.258 2.489 -7.510 1.00 0.23 H new ATOM 0 HA SER A 112 1.005 4.789 -6.121 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.552 3.306 -5.375 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.825 4.642 -4.505 1.00 0.28 H new ATOM 0 HG SER A 112 1.122 3.349 -3.881 1.00 0.37 H new ATOM 1724 N THR A 113 2.317 6.254 -7.622 1.00 0.22 N ATOM 1725 CA THR A 113 3.096 7.174 -8.426 1.00 0.22 C ATOM 1726 C THR A 113 3.701 8.274 -7.568 1.00 0.23 C ATOM 1727 O THR A 113 3.023 8.844 -6.713 1.00 0.26 O ATOM 1728 CB THR A 113 2.226 7.814 -9.511 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.104 6.965 -9.793 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.032 8.044 -10.777 1.00 0.27 C ATOM 0 H THR A 113 1.378 6.581 -7.395 1.00 0.22 H new ATOM 0 HA THR A 113 3.898 6.600 -8.891 1.00 0.22 H new ATOM 0 HB THR A 113 1.869 8.779 -9.150 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.548 7.378 -10.486 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.396 8.499 -11.536 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.869 8.707 -10.560 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.411 7.091 -11.146 1.00 0.27 H new ATOM 1738 N SER A 114 4.973 8.549 -7.786 1.00 0.25 N ATOM 1739 CA SER A 114 5.664 9.591 -7.048 1.00 0.30 C ATOM 1740 C SER A 114 6.666 10.292 -7.953 1.00 0.29 C ATOM 1741 O SER A 114 7.692 9.714 -8.323 1.00 0.30 O ATOM 1742 CB SER A 114 6.368 9.011 -5.820 1.00 0.38 C ATOM 1743 OG SER A 114 5.433 8.407 -4.942 1.00 1.43 O ATOM 0 H SER A 114 5.552 8.063 -8.471 1.00 0.25 H new ATOM 0 HA SER A 114 4.929 10.319 -6.704 1.00 0.30 H new ATOM 0 HB2 SER A 114 7.108 8.274 -6.133 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.907 9.801 -5.297 1.00 0.38 H new ATOM 0 HG SER A 114 5.811 7.578 -4.581 1.00 1.43 H new ATOM 1749 N SER A 115 6.335 11.525 -8.336 1.00 0.37 N ATOM 1750 CA SER A 115 7.186 12.337 -9.199 1.00 0.47 C ATOM 1751 C SER A 115 7.415 11.667 -10.554 1.00 0.47 C ATOM 1752 O SER A 115 8.480 11.805 -11.155 1.00 0.57 O ATOM 1753 CB SER A 115 8.519 12.628 -8.503 1.00 0.54 C ATOM 1754 OG SER A 115 8.304 13.317 -7.282 1.00 0.63 O ATOM 0 H SER A 115 5.470 11.987 -8.056 1.00 0.37 H new ATOM 0 HA SER A 115 6.674 13.281 -9.386 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.047 11.694 -8.312 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.154 13.225 -9.157 1.00 0.54 H new ATOM 0 HG SER A 115 7.380 13.640 -7.247 1.00 0.63 H new ATOM 1760 N GLY A 116 6.413 10.939 -11.031 1.00 0.42 N ATOM 1761 CA GLY A 116 6.530 10.279 -12.315 1.00 0.46 C ATOM 1762 C GLY A 116 6.757 8.786 -12.202 1.00 0.40 C ATOM 1763 O GLY A 116 6.236 8.018 -13.007 1.00 0.46 O ATOM 0 H GLY A 116 5.524 10.795 -10.552 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.623 10.459 -12.892 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.355 10.724 -12.871 1.00 0.46 H new ATOM 1767 N VAL A 117 7.525 8.371 -11.202 1.00 0.33 N ATOM 1768 CA VAL A 117 7.820 6.956 -11.009 1.00 0.29 C ATOM 1769 C VAL A 117 6.569 6.184 -10.593 1.00 0.28 C ATOM 1770 O VAL A 117 5.918 6.521 -9.600 1.00 0.29 O ATOM 1771 CB VAL A 117 8.930 6.744 -9.956 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.253 5.261 -9.808 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.180 7.534 -10.331 1.00 0.53 C ATOM 0 H VAL A 117 7.953 8.991 -10.515 1.00 0.33 H new ATOM 0 HA VAL A 117 8.173 6.574 -11.967 1.00 0.29 H new ATOM 0 HB VAL A 117 8.568 7.111 -8.995 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.037 5.132 -9.062 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.359 4.724 -9.491 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.594 4.866 -10.765 1.00 0.52 H new ATOM 0 HG21 VAL A 117 10.952 7.373 -9.578 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.545 7.199 -11.302 1.00 0.53 H new ATOM 0 HG23 VAL A 117 9.938 8.596 -10.381 1.00 0.53 H new ATOM 1783 N VAL A 118 6.233 5.162 -11.371 1.00 0.27 N ATOM 1784 CA VAL A 118 5.065 4.332 -11.105 1.00 0.27 C ATOM 1785 C VAL A 118 5.466 3.021 -10.438 1.00 0.25 C ATOM 1786 O VAL A 118 6.047 2.143 -11.073 1.00 0.29 O ATOM 1787 CB VAL A 118 4.292 4.019 -12.404 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.100 3.123 -12.112 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.846 5.306 -13.076 1.00 0.86 C ATOM 0 H VAL A 118 6.760 4.886 -12.200 1.00 0.27 H new ATOM 0 HA VAL A 118 4.419 4.897 -10.433 1.00 0.27 H new ATOM 0 HB VAL A 118 4.957 3.488 -13.085 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.567 2.913 -13.039 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.447 2.188 -11.673 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.430 3.625 -11.414 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.302 5.069 -13.991 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.196 5.863 -12.401 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.719 5.911 -13.319 1.00 0.86 H new ATOM 1799 N TYR A 119 5.157 2.902 -9.161 1.00 0.22 N ATOM 1800 CA TYR A 119 5.468 1.703 -8.394 1.00 0.21 C ATOM 1801 C TYR A 119 4.287 0.744 -8.437 1.00 0.22 C ATOM 1802 O TYR A 119 3.214 1.050 -7.919 1.00 0.29 O ATOM 1803 CB TYR A 119 5.786 2.087 -6.945 1.00 0.22 C ATOM 1804 CG TYR A 119 6.068 0.918 -6.020 1.00 0.21 C ATOM 1805 CD1 TYR A 119 7.273 0.227 -6.085 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.139 0.527 -5.062 1.00 1.21 C ATOM 1807 CE1 TYR A 119 7.542 -0.821 -5.226 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.401 -0.523 -4.201 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.603 -1.190 -4.285 1.00 0.34 C ATOM 1810 OH TYR A 119 6.872 -2.228 -3.424 1.00 0.43 O ATOM 0 H TYR A 119 4.685 3.629 -8.624 1.00 0.22 H new ATOM 0 HA TYR A 119 6.337 1.210 -8.829 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.651 2.750 -6.942 1.00 0.22 H new ATOM 0 HB3 TYR A 119 4.947 2.655 -6.543 1.00 0.22 H new ATOM 0 HD1 TYR A 119 8.011 0.514 -6.819 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.198 1.052 -4.989 1.00 1.21 H new ATOM 0 HE1 TYR A 119 8.482 -1.349 -5.291 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.667 -0.819 -3.466 1.00 1.22 H new ATOM 0 HH TYR A 119 6.433 -3.043 -3.747 1.00 0.43 H new ATOM 1820 N LYS A 120 4.471 -0.390 -9.086 1.00 0.21 N ATOM 1821 CA LYS A 120 3.417 -1.387 -9.187 1.00 0.23 C ATOM 1822 C LYS A 120 3.719 -2.592 -8.319 1.00 0.24 C ATOM 1823 O LYS A 120 4.820 -3.134 -8.362 1.00 0.29 O ATOM 1824 CB LYS A 120 3.270 -1.859 -10.625 1.00 0.28 C ATOM 1825 CG LYS A 120 2.631 -0.846 -11.549 1.00 0.31 C ATOM 1826 CD LYS A 120 2.799 -1.264 -12.994 1.00 0.46 C ATOM 1827 CE LYS A 120 2.225 -0.231 -13.944 1.00 0.87 C ATOM 1828 NZ LYS A 120 3.197 0.138 -15.006 1.00 1.17 N ATOM 0 H LYS A 120 5.341 -0.646 -9.553 1.00 0.21 H new ATOM 0 HA LYS A 120 2.493 -0.918 -8.848 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.255 -2.117 -11.013 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.674 -2.771 -10.637 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.571 -0.749 -11.314 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.084 0.133 -11.393 1.00 0.31 H new ATOM 0 HD2 LYS A 120 3.857 -1.410 -13.210 1.00 0.46 H new ATOM 0 HD3 LYS A 120 2.305 -2.222 -13.156 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.317 -0.622 -14.402 1.00 0.87 H new ATOM 0 HE3 LYS A 120 1.941 0.660 -13.384 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 3.112 1.153 -15.217 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 4.163 -0.068 -14.680 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 2.997 -0.412 -15.866 1.00 1.17 H new ATOM 1842 N ARG A 121 2.740 -3.008 -7.535 1.00 0.25 N ATOM 1843 CA ARG A 121 2.900 -4.172 -6.685 1.00 0.28 C ATOM 1844 C ARG A 121 1.702 -5.099 -6.857 1.00 0.28 C ATOM 1845 O ARG A 121 0.553 -4.718 -6.626 1.00 0.34 O ATOM 1846 CB ARG A 121 3.093 -3.765 -5.214 1.00 0.36 C ATOM 1847 CG ARG A 121 1.907 -3.050 -4.590 1.00 0.59 C ATOM 1848 CD ARG A 121 2.124 -2.806 -3.102 1.00 0.84 C ATOM 1849 NE ARG A 121 0.896 -3.005 -2.330 1.00 1.20 N ATOM 1850 CZ ARG A 121 0.589 -4.135 -1.684 1.00 1.59 C ATOM 1851 NH1 ARG A 121 1.444 -5.152 -1.668 1.00 1.88 N ATOM 1852 NH2 ARG A 121 -0.573 -4.240 -1.048 1.00 2.48 N ATOM 0 H ARG A 121 1.827 -2.557 -7.470 1.00 0.25 H new ATOM 0 HA ARG A 121 3.800 -4.708 -6.985 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.309 -4.659 -4.630 1.00 0.36 H new ATOM 0 HB3 ARG A 121 3.968 -3.119 -5.142 1.00 0.36 H new ATOM 0 HG2 ARG A 121 1.747 -2.098 -5.097 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.005 -3.644 -4.735 1.00 0.59 H new ATOM 0 HD2 ARG A 121 2.898 -3.479 -2.733 1.00 0.84 H new ATOM 0 HD3 ARG A 121 2.487 -1.790 -2.950 1.00 0.84 H new ATOM 0 HE ARG A 121 0.232 -2.232 -2.282 1.00 1.20 H new ATOM 0 HH11 ARG A 121 2.339 -5.073 -2.150 1.00 1.88 H new ATOM 0 HH12 ARG A 121 1.205 -6.012 -1.174 1.00 1.88 H new ATOM 0 HH21 ARG A 121 -1.229 -3.459 -1.053 1.00 2.48 H new ATOM 0 HH22 ARG A 121 -0.808 -5.101 -0.555 1.00 2.48 H new ATOM 1866 N THR A 122 1.976 -6.303 -7.312 1.00 0.27 N ATOM 1867 CA THR A 122 0.951 -7.299 -7.540 1.00 0.27 C ATOM 1868 C THR A 122 0.948 -8.314 -6.410 1.00 0.25 C ATOM 1869 O THR A 122 1.970 -8.940 -6.121 1.00 0.29 O ATOM 1870 CB THR A 122 1.184 -8.025 -8.876 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.348 -7.067 -9.928 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.026 -8.955 -9.201 1.00 0.34 C ATOM 0 H THR A 122 2.920 -6.620 -7.535 1.00 0.27 H new ATOM 0 HA THR A 122 -0.013 -6.791 -7.577 1.00 0.27 H new ATOM 0 HB THR A 122 2.090 -8.625 -8.786 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.498 -7.535 -10.776 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.217 -9.455 -10.150 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.075 -9.700 -8.412 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.895 -8.377 -9.274 1.00 0.34 H new ATOM 1880 N SER A 123 -0.192 -8.465 -5.765 1.00 0.24 N ATOM 1881 CA SER A 123 -0.317 -9.402 -4.671 1.00 0.23 C ATOM 1882 C SER A 123 -1.411 -10.419 -4.976 1.00 0.23 C ATOM 1883 O SER A 123 -2.475 -10.060 -5.485 1.00 0.25 O ATOM 1884 CB SER A 123 -0.625 -8.649 -3.378 1.00 0.25 C ATOM 1885 OG SER A 123 0.264 -7.561 -3.201 1.00 0.38 O ATOM 0 H SER A 123 -1.045 -7.949 -5.982 1.00 0.24 H new ATOM 0 HA SER A 123 0.624 -9.938 -4.546 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.652 -8.284 -3.401 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.547 -9.329 -2.530 1.00 0.25 H new ATOM 0 HG SER A 123 -0.188 -6.847 -2.704 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.136 -11.682 -4.689 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.104 -12.744 -4.939 1.00 0.25 C ATOM 1893 C LYS A 124 -3.141 -12.785 -3.824 1.00 0.22 C ATOM 1894 O LYS A 124 -2.879 -12.334 -2.708 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.406 -14.103 -5.073 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.539 -14.472 -3.883 1.00 0.31 C ATOM 1897 CD LYS A 124 0.048 -15.866 -4.036 1.00 0.43 C ATOM 1898 CE LYS A 124 1.325 -16.038 -3.226 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.456 -15.250 -3.794 1.00 1.45 N ATOM 0 H LYS A 124 -0.255 -11.998 -4.284 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.610 -12.531 -5.881 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.162 -14.876 -5.212 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.788 -14.096 -5.971 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.267 -13.746 -3.779 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.132 -14.423 -2.970 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.686 -16.606 -3.717 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.257 -16.058 -5.088 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.147 -15.726 -2.197 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.597 -17.093 -3.197 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.337 -15.796 -3.709 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.269 -15.048 -4.797 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.552 -14.355 -3.273 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.308 -13.340 -4.128 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.397 -13.425 -3.163 1.00 0.23 C ATOM 1915 C LYS A 125 -5.416 -14.785 -2.470 1.00 0.25 C ATOM 1916 O LYS A 125 -5.440 -15.831 -3.122 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.746 -13.169 -3.851 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.860 -12.740 -2.897 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.286 -13.877 -1.989 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.723 -13.744 -1.532 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.682 -14.111 -2.608 1.00 1.45 N ATOM 0 H LYS A 125 -4.525 -13.740 -5.041 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.231 -12.658 -2.407 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.614 -12.397 -4.610 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.055 -14.076 -4.370 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.519 -11.899 -2.293 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.718 -12.392 -3.472 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -8.161 -14.824 -2.514 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -7.632 -13.907 -1.118 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.889 -14.382 -0.664 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -9.909 -12.718 -1.213 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.646 -14.138 -2.219 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.636 -13.405 -3.370 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.435 -15.047 -2.988 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.415 -14.749 -1.149 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.460 -15.952 -0.340 1.00 0.28 C ATOM 1937 C ILE A 126 -6.308 -15.700 0.899 1.00 0.30 C ATOM 1938 O ILE A 126 -6.671 -14.558 1.185 1.00 0.28 O ATOM 1939 CB ILE A 126 -4.055 -16.447 0.104 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.925 -15.753 -0.676 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.954 -17.955 -0.060 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.401 -14.507 0.000 1.00 0.27 C ATOM 0 H ILE A 126 -5.383 -13.885 -0.608 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.896 -16.732 -0.965 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.935 -16.187 1.156 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.103 -16.456 -0.811 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.288 -15.492 -1.670 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.965 -18.290 0.254 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.713 -18.439 0.554 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.111 -18.219 -1.106 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.607 -14.071 -0.606 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.210 -13.786 0.111 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -2.007 -14.765 0.983 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.673 -16.764 1.593 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.467 -16.644 2.806 1.00 0.44 C ATOM 1956 C ALA A 127 -6.948 -17.610 3.861 1.00 0.67 C ATOM 1957 O ALA A 127 -6.176 -17.176 4.739 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.938 -16.899 2.512 1.00 0.46 C ATOM 0 H ALA A 127 -6.433 -17.722 1.338 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.375 -15.628 3.189 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.515 -16.805 3.432 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.295 -16.171 1.784 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.060 -17.905 2.109 1.00 0.46 H new TER 1964 ALA A 127 HETATM 1965 C1 CHO A 200 6.671 -0.204 -0.353 1.00 0.35 C HETATM 1966 C2 CHO A 200 5.245 -0.248 0.198 1.00 0.40 C HETATM 1967 C3 CHO A 200 4.540 1.090 -0.035 1.00 0.45 C HETATM 1968 O3 CHO A 200 3.221 1.037 0.518 1.00 0.51 O HETATM 1969 C4 CHO A 200 5.329 2.202 0.660 1.00 0.41 C HETATM 1970 C5 CHO A 200 6.756 2.250 0.107 1.00 0.37 C HETATM 1971 C6 CHO A 200 7.519 3.391 0.781 1.00 0.37 C HETATM 1972 C7 CHO A 200 7.643 3.107 2.279 1.00 0.33 C HETATM 1973 O7 CHO A 200 6.340 3.067 2.871 1.00 0.37 O HETATM 1974 C8 CHO A 200 8.345 1.767 2.516 1.00 0.25 C HETATM 1975 C9 CHO A 200 7.588 0.635 1.820 1.00 0.27 C HETATM 1976 C10 CHO A 200 7.473 0.914 0.319 1.00 0.31 C HETATM 1977 C11 CHO A 200 8.273 -0.710 2.080 1.00 0.25 C HETATM 1978 C12 CHO A 200 8.412 -0.988 3.581 1.00 0.23 C HETATM 1979 C13 CHO A 200 9.183 0.161 4.231 1.00 0.21 C HETATM 1980 C14 CHO A 200 8.414 1.460 4.011 1.00 0.23 C HETATM 1981 C15 CHO A 200 9.269 2.424 4.832 1.00 0.25 C HETATM 1982 C16 CHO A 200 9.504 1.625 6.118 1.00 0.24 C HETATM 1983 C17 CHO A 200 9.163 0.174 5.759 1.00 0.23 C HETATM 1984 C18 CHO A 200 10.604 0.281 3.680 1.00 0.22 C HETATM 1985 C19 CHO A 200 8.869 0.984 -0.300 1.00 0.32 C HETATM 1986 C20 CHO A 200 10.138 -0.814 6.404 1.00 0.27 C HETATM 1987 C21 CHO A 200 9.837 -2.252 5.975 1.00 0.31 C HETATM 1988 C22 CHO A 200 10.057 -0.682 7.928 1.00 0.34 C HETATM 1989 C23 CHO A 200 11.019 -1.642 8.630 1.00 0.41 C HETATM 1990 C24 CHO A 200 10.959 -1.431 10.143 1.00 0.54 C HETATM 1991 O24 CHO A 200 10.486 -0.396 10.615 1.00 0.86 O HETATM 1992 N25 CHO A 200 11.441 -2.431 10.874 1.00 0.47 N HETATM 1993 C26 CHO A 200 11.459 -2.384 12.343 1.00 0.58 C HETATM 1994 C27 CHO A 200 12.621 -1.506 12.813 1.00 1.20 C HETATM 1995 OT1 CHO A 200 13.199 -0.805 11.954 1.00 2.01 O HETATM 1996 OT2 CHO A 200 12.911 -1.552 14.028 1.00 1.99 O HETATM 0 H262 CHO A 200 10.515 -1.986 12.716 1.00 0.58 H new HETATM 0 H261 CHO A 200 11.563 -3.391 12.748 1.00 0.58 H new HETATM 0 H232 CHO A 200 10.758 -2.672 8.388 1.00 0.41 H new HETATM 0 H231 CHO A 200 12.035 -1.478 8.272 1.00 0.41 H new HETATM 0 H222 CHO A 200 10.289 0.343 8.218 1.00 0.34 H new HETATM 0 H221 CHO A 200 9.037 -0.883 8.257 1.00 0.34 H new HETATM 0 H213 CHO A 200 8.824 -2.517 6.277 1.00 0.31 H new HETATM 0 H212 CHO A 200 9.926 -2.335 4.892 1.00 0.31 H new HETATM 0 H211 CHO A 200 10.547 -2.929 6.450 1.00 0.31 H new HETATM 0 H193 CHO A 200 9.380 0.032 -0.153 1.00 0.32 H new HETATM 0 H192 CHO A 200 8.784 1.190 -1.367 1.00 0.32 H new HETATM 0 H191 CHO A 200 9.440 1.780 0.178 1.00 0.32 H new HETATM 0 H183 CHO A 200 11.148 -0.644 3.871 1.00 0.22 H new HETATM 0 H182 CHO A 200 10.564 0.463 2.606 1.00 0.22 H new HETATM 0 H181 CHO A 200 11.115 1.110 4.170 1.00 0.22 H new HETATM 0 H162 CHO A 200 10.537 1.715 6.454 1.00 0.24 H new HETATM 0 H161 CHO A 200 8.872 1.989 6.928 1.00 0.24 H new HETATM 0 H152 CHO A 200 10.204 2.671 4.328 1.00 0.25 H new HETATM 0 H151 CHO A 200 8.753 3.365 5.025 1.00 0.25 H new HETATM 0 H122 CHO A 200 7.428 -1.087 4.038 1.00 0.23 H new HETATM 0 H121 CHO A 200 8.935 -1.931 3.742 1.00 0.23 H new HETATM 0 H112 CHO A 200 7.698 -1.509 1.613 1.00 0.25 H new HETATM 0 H111 CHO A 200 9.259 -0.713 1.615 1.00 0.25 H new HETATM 0 HOT CHO A 200 13.795 -1.153 14.169 1.00 1.99 H new HETATM 0 HO7 CHO A 200 6.271 3.764 3.557 1.00 0.37 H new HETATM 0 HO3 CHO A 200 2.770 1.894 0.371 1.00 0.51 H new HETATM 0 HN CHO A 200 11.810 -3.256 10.401 1.00 0.47 H new HETATM 0 H9 CHO A 200 6.581 0.584 2.233 1.00 0.27 H new HETATM 0 H8 CHO A 200 9.353 1.840 2.107 1.00 0.25 H new HETATM 0 H7 CHO A 200 8.233 3.902 2.734 1.00 0.33 H new HETATM 0 H62 CHO A 200 8.509 3.493 0.336 1.00 0.37 H new HETATM 0 H61 CHO A 200 6.998 4.335 0.621 1.00 0.37 H new HETATM 0 H5 CHO A 200 6.716 2.430 -0.967 1.00 0.37 H new HETATM 0 H42 CHO A 200 4.836 3.162 0.504 1.00 0.41 H new HETATM 0 H41 CHO A 200 5.352 2.026 1.736 1.00 0.41 H new HETATM 0 H3 CHO A 200 4.481 1.289 -1.105 1.00 0.45 H new HETATM 0 H22 CHO A 200 4.686 -1.049 -0.286 1.00 0.40 H new HETATM 0 H21 CHO A 200 5.267 -0.473 1.264 1.00 0.40 H new HETATM 0 H20 CHO A 200 11.148 -0.577 6.070 1.00 0.27 H new HETATM 0 H17 CHO A 200 8.195 -0.150 6.141 1.00 0.23 H new HETATM 0 H14 CHO A 200 7.368 1.480 4.316 1.00 0.23 H new HETATM 0 H12 CHO A 200 7.162 -1.163 -0.185 1.00 0.35 H new HETATM 0 H11 CHO A 200 6.646 -0.044 -1.431 1.00 0.35 H new HETATM 2039 C1 CHO A 201 -5.219 4.104 0.433 1.00 0.22 C HETATM 2040 C2 CHO A 201 -4.969 2.864 -0.426 1.00 0.26 C HETATM 2041 C3 CHO A 201 -5.366 1.597 0.337 1.00 0.29 C HETATM 2042 O3 CHO A 201 -5.088 0.456 -0.477 1.00 0.35 O HETATM 2043 C4 CHO A 201 -4.554 1.505 1.633 1.00 0.29 C HETATM 2044 C5 CHO A 201 -4.815 2.744 2.492 1.00 0.25 C HETATM 2045 C6 CHO A 201 -4.039 2.637 3.807 1.00 0.28 C HETATM 2046 C7 CHO A 201 -2.535 2.653 3.525 1.00 0.27 C HETATM 2047 O7 CHO A 201 -2.179 1.492 2.771 1.00 0.30 O HETATM 2048 C8 CHO A 201 -2.143 3.906 2.737 1.00 0.21 C HETATM 2049 C9 CHO A 201 -2.921 3.962 1.420 1.00 0.21 C HETATM 2050 C10 CHO A 201 -4.418 4.014 1.734 1.00 0.21 C HETATM 2051 C11 CHO A 201 -2.511 5.181 0.587 1.00 0.21 C HETATM 2052 C12 CHO A 201 -1.000 5.236 0.353 1.00 0.22 C HETATM 2053 C13 CHO A 201 -0.307 5.217 1.714 1.00 0.20 C HETATM 2054 C14 CHO A 201 -0.649 3.907 2.418 1.00 0.23 C HETATM 2055 C15 CHO A 201 0.274 4.031 3.628 1.00 0.26 C HETATM 2056 C16 CHO A 201 1.598 4.293 2.906 1.00 0.27 C HETATM 2057 C17 CHO A 201 1.222 5.125 1.674 1.00 0.24 C HETATM 2058 C18 CHO A 201 -0.758 6.398 2.576 1.00 0.19 C HETATM 2059 C19 CHO A 201 -4.698 5.239 2.608 1.00 0.22 C HETATM 2060 C20 CHO A 201 1.855 6.516 1.707 1.00 0.24 C HETATM 2061 C21 CHO A 201 1.416 7.349 0.504 1.00 0.27 C HETATM 2062 C22 CHO A 201 3.380 6.411 1.759 1.00 0.28 C HETATM 2063 C23 CHO A 201 4.024 7.796 1.845 1.00 0.32 C HETATM 2064 C24 CHO A 201 5.543 7.693 1.991 1.00 0.37 C HETATM 2065 O24 CHO A 201 6.273 8.634 1.670 1.00 0.67 O HETATM 2066 N25 CHO A 201 5.985 6.540 2.480 1.00 0.31 N HETATM 2067 C26 CHO A 201 7.414 6.273 2.691 1.00 0.33 C HETATM 2068 C27 CHO A 201 7.708 6.222 4.191 1.00 0.50 C HETATM 2069 OT1 CHO A 201 8.578 7.005 4.629 1.00 1.23 O HETATM 2070 OT2 CHO A 201 7.047 5.410 4.875 1.00 1.08 O HETATM 0 H262 CHO A 201 7.691 5.328 2.223 1.00 0.33 H new HETATM 0 H261 CHO A 201 8.014 7.051 2.218 1.00 0.33 H new HETATM 0 H232 CHO A 201 3.780 8.369 0.950 1.00 0.32 H new HETATM 0 H231 CHO A 201 3.611 8.340 2.694 1.00 0.32 H new HETATM 0 H222 CHO A 201 3.677 5.814 2.621 1.00 0.28 H new HETATM 0 H221 CHO A 201 3.743 5.892 0.872 1.00 0.28 H new HETATM 0 H213 CHO A 201 1.721 6.849 -0.415 1.00 0.27 H new HETATM 0 H212 CHO A 201 0.332 7.460 0.514 1.00 0.27 H new HETATM 0 H211 CHO A 201 1.882 8.333 0.554 1.00 0.27 H new HETATM 0 H193 CHO A 201 -4.409 6.143 2.071 1.00 0.22 H new HETATM 0 H192 CHO A 201 -5.761 5.282 2.844 1.00 0.22 H new HETATM 0 H191 CHO A 201 -4.124 5.166 3.532 1.00 0.22 H new HETATM 0 H183 CHO A 201 -0.511 7.332 2.071 1.00 0.19 H new HETATM 0 H182 CHO A 201 -1.835 6.344 2.732 1.00 0.19 H new HETATM 0 H181 CHO A 201 -0.249 6.360 3.539 1.00 0.19 H new HETATM 0 H162 CHO A 201 2.297 4.831 3.547 1.00 0.27 H new HETATM 0 H161 CHO A 201 2.082 3.360 2.619 1.00 0.27 H new HETATM 0 H152 CHO A 201 -0.011 4.848 4.291 1.00 0.26 H new HETATM 0 H151 CHO A 201 0.298 3.124 4.232 1.00 0.26 H new HETATM 0 H122 CHO A 201 -0.677 4.387 -0.250 1.00 0.22 H new HETATM 0 H121 CHO A 201 -0.733 6.138 -0.197 1.00 0.22 H new HETATM 0 H112 CHO A 201 -3.025 5.153 -0.374 1.00 0.21 H new HETATM 0 H111 CHO A 201 -2.832 6.091 1.094 1.00 0.21 H new HETATM 0 HOT CHO A 201 7.602 5.073 5.609 1.00 1.08 H new HETATM 0 HO7 CHO A 201 -1.257 1.234 2.983 1.00 0.30 H new HETATM 0 HO3 CHO A 201 -4.858 -0.306 0.095 1.00 0.35 H new HETATM 0 HN CHO A 201 5.308 5.814 2.717 1.00 0.31 H new HETATM 0 H9 CHO A 201 -2.694 3.072 0.834 1.00 0.21 H new HETATM 0 H8 CHO A 201 -2.380 4.773 3.353 1.00 0.21 H new HETATM 0 H7 CHO A 201 -2.005 2.658 4.477 1.00 0.27 H new HETATM 0 H62 CHO A 201 -4.304 3.465 4.464 1.00 0.28 H new HETATM 0 H61 CHO A 201 -4.311 1.718 4.327 1.00 0.28 H new HETATM 0 H5 CHO A 201 -5.880 2.801 2.716 1.00 0.25 H new HETATM 0 H42 CHO A 201 -4.828 0.605 2.183 1.00 0.29 H new HETATM 0 H41 CHO A 201 -3.491 1.427 1.403 1.00 0.29 H new HETATM 0 H3 CHO A 201 -6.429 1.631 0.577 1.00 0.29 H new HETATM 0 H22 CHO A 201 -5.541 2.933 -1.351 1.00 0.26 H new HETATM 0 H21 CHO A 201 -3.917 2.813 -0.705 1.00 0.26 H new HETATM 0 H20 CHO A 201 1.511 7.021 2.610 1.00 0.24 H new HETATM 0 H17 CHO A 201 1.587 4.664 0.756 1.00 0.24 H new HETATM 0 H14 CHO A 201 -0.500 2.971 1.880 1.00 0.23 H new HETATM 0 H12 CHO A 201 -4.934 5.001 -0.117 1.00 0.22 H new HETATM 0 H11 CHO A 201 -6.282 4.192 0.657 1.00 0.22 H new