USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1093 hydrogens (0 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 71 ASN :FLIP amide:sc= 1.36 F(o=0.28,f=2.3) USER MOD Set 1.2: A 142 HIS : no HD1:sc= -0.0074 X(o=2.3,f=2.2) USER MOD Set 1.3: A 143 HIS : no HD1:sc= 0.915 K(o=2.3,f=-1.7) USER MOD Set 2.1: A 64 TYR OH : rot 32:sc= 0.842 USER MOD Set 2.2: A 84 HIS : no HD1:sc= -0.307 K(o=0.53,f=-4.7!) USER MOD Set 3.1: A 28 ASN : amide:sc= -2.32 K(o=-2.8,f=-3.9!) USER MOD Set 3.2: A 141 HIS :FLIP no HD1:sc= -0.472 F(o=-3.4,f=-2.8) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.175 (180deg=-0.691) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0067 (180deg=-0.241) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 22 TYR OH : rot 84:sc= 0.142 USER MOD Single : A 24 GLN : amide:sc=-0.00559 X(o=-0.0056,f=-0.42) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -121:sc= -0.0223 (180deg=-0.983) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 87:sc= 1.09 USER MOD Single : A 50 SER OG : rot -155:sc= 0.241 USER MOD Single : A 61 SER OG : rot -88:sc= 0.975 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.0253 F(o=-0.55,f=-0.025) USER MOD Single : A 72 ASN : amide:sc= -0.0333 K(o=-0.033,f=-3.4!) USER MOD Single : A 74 HIS : no HD1:sc= -0.67 X(o=-0.67,f=-0.42) USER MOD Single : A 75 ASN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 81 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.3) USER MOD Single : A 83 LYS NZ :NH3+ -162:sc= 0.116 (180deg=-0.023) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= 0.17 K(o=0.17,f=-0.89) USER MOD Single : A 102 THR OG1 : rot 74:sc= 0.962 USER MOD Single : A 103 TYR OH : rot -64:sc= 0.816 USER MOD Single : A 104 HIS : no HD1:sc= -0.203 X(o=-0.2,f=0.014) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS :FLIP no HD1:sc= -0.0161 F(o=-2.1!,f=-0.016) USER MOD Single : A 108 TYR OH : rot -142:sc= 0.919 USER MOD Single : A 113 ASN : amide:sc= -0.078 K(o=-0.078,f=-0.74) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot -63:sc= 1.08 USER MOD Single : A 118 SER OG : rot 46:sc= 0.919 USER MOD Single : A 121 TYR OH : rot 110:sc= -0.745 USER MOD Single : A 122 THR OG1 : rot 74:sc= 0.553 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HE2:sc= 0.0936 K(o=0.094,f=-0.94) USER MOD Single : A 139 HIS : no HD1:sc= -0.0375 X(o=-0.038,f=-0.47) USER MOD Single : A 140 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.298 -8.812 -8.990 1.00 71.52 N ATOM 2 CA MET A 1 13.258 -9.830 -9.241 1.00 2.14 C ATOM 3 C MET A 1 11.886 -9.335 -8.709 1.00 52.24 C ATOM 4 O MET A 1 11.677 -9.312 -7.489 1.00 23.13 O ATOM 5 CB MET A 1 13.654 -11.173 -8.567 1.00 15.44 C ATOM 6 CG MET A 1 14.984 -11.771 -9.050 1.00 22.05 C ATOM 7 SD MET A 1 15.433 -13.268 -8.142 1.00 63.43 S ATOM 8 CE MET A 1 15.607 -12.646 -6.465 1.00 42.15 C ATOM 0 H1 MET A 1 15.146 -9.037 -9.548 1.00 71.52 H new ATOM 0 H2 MET A 1 13.941 -7.875 -9.266 1.00 71.52 H new ATOM 0 H3 MET A 1 14.541 -8.806 -7.979 1.00 71.52 H new ATOM 0 HA MET A 1 13.172 -9.993 -10.315 1.00 2.14 H new ATOM 0 HB2 MET A 1 13.712 -11.019 -7.489 1.00 15.44 H new ATOM 0 HB3 MET A 1 12.860 -11.899 -8.743 1.00 15.44 H new ATOM 0 HG2 MET A 1 14.911 -12.001 -10.113 1.00 22.05 H new ATOM 0 HG3 MET A 1 15.775 -11.030 -8.938 1.00 22.05 H new ATOM 0 HE1 MET A 1 16.223 -13.333 -5.884 1.00 42.15 H new ATOM 0 HE2 MET A 1 16.081 -11.665 -6.488 1.00 42.15 H new ATOM 0 HE3 MET A 1 14.623 -12.562 -6.004 1.00 42.15 H new ATOM 20 N PRO A 2 10.944 -8.887 -9.612 1.00 74.52 N ATOM 21 CA PRO A 2 9.553 -8.530 -9.210 1.00 24.21 C ATOM 22 C PRO A 2 8.779 -9.763 -8.664 1.00 2.12 C ATOM 23 O PRO A 2 8.575 -10.742 -9.391 1.00 21.22 O ATOM 24 CB PRO A 2 8.917 -7.979 -10.529 1.00 23.14 C ATOM 25 CG PRO A 2 10.089 -7.647 -11.410 1.00 72.02 C ATOM 26 CD PRO A 2 11.157 -8.664 -11.068 1.00 24.35 C ATOM 0 HA PRO A 2 9.523 -7.804 -8.397 1.00 24.21 H new ATOM 0 HB2 PRO A 2 8.269 -8.721 -10.996 1.00 23.14 H new ATOM 0 HB3 PRO A 2 8.305 -7.098 -10.335 1.00 23.14 H new ATOM 0 HG2 PRO A 2 9.816 -7.705 -12.464 1.00 72.02 H new ATOM 0 HG3 PRO A 2 10.442 -6.632 -11.227 1.00 72.02 H new ATOM 0 HD2 PRO A 2 11.038 -9.584 -11.640 1.00 24.35 H new ATOM 0 HD3 PRO A 2 12.158 -8.286 -11.277 1.00 24.35 H new ATOM 34 N LEU A 3 8.362 -9.711 -7.385 1.00 30.03 N ATOM 35 CA LEU A 3 7.735 -10.867 -6.703 1.00 23.52 C ATOM 36 C LEU A 3 6.216 -10.878 -7.000 1.00 52.05 C ATOM 37 O LEU A 3 5.499 -9.964 -6.621 1.00 50.22 O ATOM 38 CB LEU A 3 8.003 -10.809 -5.159 1.00 45.31 C ATOM 39 CG LEU A 3 8.232 -12.180 -4.415 1.00 31.21 C ATOM 40 CD1 LEU A 3 8.184 -11.999 -2.884 1.00 11.22 C ATOM 41 CD2 LEU A 3 7.259 -13.296 -4.878 1.00 62.11 C ATOM 0 H LEU A 3 8.447 -8.880 -6.799 1.00 30.03 H new ATOM 0 HA LEU A 3 8.176 -11.789 -7.081 1.00 23.52 H new ATOM 0 HB2 LEU A 3 8.880 -10.183 -4.992 1.00 45.31 H new ATOM 0 HB3 LEU A 3 7.158 -10.306 -4.688 1.00 45.31 H new ATOM 0 HG LEU A 3 9.232 -12.513 -4.692 1.00 31.21 H new ATOM 0 HD11 LEU A 3 8.345 -12.962 -2.399 1.00 11.22 H new ATOM 0 HD12 LEU A 3 8.963 -11.302 -2.575 1.00 11.22 H new ATOM 0 HD13 LEU A 3 7.210 -11.605 -2.595 1.00 11.22 H new ATOM 0 HD21 LEU A 3 7.469 -14.213 -4.328 1.00 62.11 H new ATOM 0 HD22 LEU A 3 6.232 -12.985 -4.687 1.00 62.11 H new ATOM 0 HD23 LEU A 3 7.391 -13.475 -5.945 1.00 62.11 H new ATOM 53 N GLU A 4 5.750 -11.934 -7.670 1.00 4.34 N ATOM 54 CA GLU A 4 4.340 -12.084 -8.089 1.00 50.12 C ATOM 55 C GLU A 4 3.663 -13.270 -7.369 1.00 1.21 C ATOM 56 O GLU A 4 4.264 -14.341 -7.219 1.00 11.13 O ATOM 57 CB GLU A 4 4.284 -12.307 -9.626 1.00 31.13 C ATOM 58 CG GLU A 4 2.872 -12.562 -10.193 1.00 34.41 C ATOM 59 CD GLU A 4 2.878 -12.938 -11.680 1.00 71.10 C ATOM 60 OE1 GLU A 4 3.065 -14.139 -11.996 1.00 51.40 O ATOM 61 OE2 GLU A 4 2.722 -12.043 -12.533 1.00 50.21 O ATOM 0 H GLU A 4 6.340 -12.720 -7.943 1.00 4.34 H new ATOM 0 HA GLU A 4 3.802 -11.175 -7.821 1.00 50.12 H new ATOM 0 HB2 GLU A 4 4.706 -11.433 -10.121 1.00 31.13 H new ATOM 0 HB3 GLU A 4 4.920 -13.155 -9.879 1.00 31.13 H new ATOM 0 HG2 GLU A 4 2.398 -13.362 -9.624 1.00 34.41 H new ATOM 0 HG3 GLU A 4 2.264 -11.668 -10.053 1.00 34.41 H new ATOM 68 N TRP A 5 2.406 -13.065 -6.926 1.00 23.40 N ATOM 69 CA TRP A 5 1.513 -14.167 -6.525 1.00 33.33 C ATOM 70 C TRP A 5 0.551 -14.513 -7.680 1.00 11.53 C ATOM 71 O TRP A 5 -0.026 -13.622 -8.314 1.00 41.14 O ATOM 72 CB TRP A 5 0.691 -13.828 -5.250 1.00 71.25 C ATOM 73 CG TRP A 5 -0.136 -15.001 -4.780 1.00 44.44 C ATOM 74 CD1 TRP A 5 0.336 -16.158 -4.238 1.00 20.43 C ATOM 75 CD2 TRP A 5 -1.560 -15.157 -4.859 1.00 51.11 C ATOM 76 NE1 TRP A 5 -0.695 -17.020 -3.998 1.00 2.21 N ATOM 77 CE2 TRP A 5 -1.868 -16.428 -4.356 1.00 32.42 C ATOM 78 CE3 TRP A 5 -2.597 -14.347 -5.303 1.00 72.43 C ATOM 79 CZ2 TRP A 5 -3.167 -16.913 -4.295 1.00 42.33 C ATOM 80 CZ3 TRP A 5 -3.889 -14.822 -5.242 1.00 71.25 C ATOM 81 CH2 TRP A 5 -4.164 -16.093 -4.738 1.00 54.43 C ATOM 0 H TRP A 5 1.986 -12.140 -6.837 1.00 23.40 H new ATOM 0 HA TRP A 5 2.145 -15.024 -6.293 1.00 33.33 H new ATOM 0 HB2 TRP A 5 1.368 -13.520 -4.454 1.00 71.25 H new ATOM 0 HB3 TRP A 5 0.035 -12.982 -5.456 1.00 71.25 H new ATOM 0 HD1 TRP A 5 1.375 -16.364 -4.028 1.00 20.43 H new ATOM 0 HE1 TRP A 5 -0.602 -17.959 -3.612 1.00 2.21 H new ATOM 0 HE3 TRP A 5 -2.394 -13.360 -5.690 1.00 72.43 H new ATOM 0 HZ2 TRP A 5 -3.380 -17.900 -3.912 1.00 42.33 H new ATOM 0 HZ3 TRP A 5 -4.701 -14.201 -5.590 1.00 71.25 H new ATOM 0 HH2 TRP A 5 -5.187 -16.436 -4.697 1.00 54.43 H new ATOM 92 N ARG A 6 0.365 -15.816 -7.915 1.00 11.33 N ATOM 93 CA ARG A 6 -0.562 -16.340 -8.936 1.00 22.10 C ATOM 94 C ARG A 6 -1.416 -17.491 -8.355 1.00 42.14 C ATOM 95 O ARG A 6 -1.112 -18.029 -7.279 1.00 54.42 O ATOM 96 CB ARG A 6 0.204 -16.804 -10.221 1.00 30.23 C ATOM 97 CG ARG A 6 1.164 -18.015 -10.056 1.00 41.10 C ATOM 98 CD ARG A 6 2.434 -17.698 -9.237 1.00 64.14 C ATOM 99 NE ARG A 6 3.234 -16.603 -9.833 1.00 71.14 N ATOM 100 CZ ARG A 6 4.550 -16.539 -9.846 1.00 42.04 C ATOM 101 NH1 ARG A 6 5.278 -17.495 -9.357 1.00 44.54 N ATOM 102 NH2 ARG A 6 5.131 -15.521 -10.383 1.00 43.11 N ATOM 0 H ARG A 6 0.856 -16.547 -7.400 1.00 11.33 H new ATOM 0 HA ARG A 6 -1.230 -15.530 -9.228 1.00 22.10 H new ATOM 0 HB2 ARG A 6 -0.532 -17.053 -10.985 1.00 30.23 H new ATOM 0 HB3 ARG A 6 0.781 -15.960 -10.598 1.00 30.23 H new ATOM 0 HG2 ARG A 6 0.625 -18.830 -9.572 1.00 41.10 H new ATOM 0 HG3 ARG A 6 1.459 -18.370 -11.044 1.00 41.10 H new ATOM 0 HD2 ARG A 6 2.149 -17.424 -8.221 1.00 64.14 H new ATOM 0 HD3 ARG A 6 3.049 -18.595 -9.164 1.00 64.14 H new ATOM 0 HE ARG A 6 2.724 -15.835 -10.269 1.00 71.14 H new ATOM 0 HH11 ARG A 6 4.833 -18.318 -8.951 1.00 44.54 H new ATOM 0 HH12 ARG A 6 6.295 -17.423 -9.378 1.00 44.54 H new ATOM 0 HH21 ARG A 6 4.572 -14.773 -10.794 1.00 43.11 H new ATOM 0 HH22 ARG A 6 6.149 -15.464 -10.397 1.00 43.11 H new ATOM 116 N ALA A 7 -2.478 -17.862 -9.091 1.00 64.44 N ATOM 117 CA ALA A 7 -3.409 -18.942 -8.693 1.00 35.31 C ATOM 118 C ALA A 7 -2.688 -20.314 -8.645 1.00 41.22 C ATOM 119 O ALA A 7 -1.917 -20.647 -9.551 1.00 64.24 O ATOM 120 CB ALA A 7 -4.605 -18.988 -9.658 1.00 73.13 C ATOM 0 H ALA A 7 -2.719 -17.424 -9.980 1.00 64.44 H new ATOM 0 HA ALA A 7 -3.775 -18.727 -7.689 1.00 35.31 H new ATOM 0 HB1 ALA A 7 -5.285 -19.785 -9.357 1.00 73.13 H new ATOM 0 HB2 ALA A 7 -5.131 -18.034 -9.631 1.00 73.13 H new ATOM 0 HB3 ALA A 7 -4.249 -19.177 -10.670 1.00 73.13 H new ATOM 126 N GLY A 8 -2.941 -21.088 -7.573 1.00 55.41 N ATOM 127 CA GLY A 8 -2.319 -22.413 -7.388 1.00 32.21 C ATOM 128 C GLY A 8 -1.036 -22.405 -6.542 1.00 12.24 C ATOM 129 O GLY A 8 -0.475 -23.474 -6.271 1.00 4.32 O ATOM 0 H GLY A 8 -3.574 -20.818 -6.820 1.00 55.41 H new ATOM 0 HA2 GLY A 8 -3.044 -23.078 -6.918 1.00 32.21 H new ATOM 0 HA3 GLY A 8 -2.090 -22.832 -8.368 1.00 32.21 H new ATOM 133 N ALA A 9 -0.569 -21.206 -6.129 1.00 1.53 N ATOM 134 CA ALA A 9 0.666 -21.052 -5.314 1.00 40.11 C ATOM 135 C ALA A 9 0.499 -21.637 -3.886 1.00 42.44 C ATOM 136 O ALA A 9 -0.597 -21.610 -3.315 1.00 60.21 O ATOM 137 CB ALA A 9 1.089 -19.574 -5.253 1.00 52.43 C ATOM 0 H ALA A 9 -1.030 -20.322 -6.347 1.00 1.53 H new ATOM 0 HA ALA A 9 1.454 -21.623 -5.804 1.00 40.11 H new ATOM 0 HB1 ALA A 9 1.994 -19.479 -4.653 1.00 52.43 H new ATOM 0 HB2 ALA A 9 1.282 -19.209 -6.262 1.00 52.43 H new ATOM 0 HB3 ALA A 9 0.291 -18.985 -4.801 1.00 52.43 H new ATOM 143 N SER A 10 1.615 -22.131 -3.313 1.00 40.12 N ATOM 144 CA SER A 10 1.614 -22.865 -2.017 1.00 44.05 C ATOM 145 C SER A 10 1.643 -21.893 -0.817 1.00 21.10 C ATOM 146 O SER A 10 2.132 -20.774 -0.943 1.00 34.25 O ATOM 147 CB SER A 10 2.827 -23.824 -1.945 1.00 44.11 C ATOM 148 OG SER A 10 2.784 -24.632 -0.777 1.00 2.54 O ATOM 0 H SER A 10 2.542 -22.037 -3.728 1.00 40.12 H new ATOM 0 HA SER A 10 0.691 -23.443 -1.963 1.00 44.05 H new ATOM 0 HB2 SER A 10 2.841 -24.461 -2.829 1.00 44.11 H new ATOM 0 HB3 SER A 10 3.751 -23.245 -1.954 1.00 44.11 H new ATOM 0 HG SER A 10 3.562 -25.227 -0.762 1.00 2.54 H new ATOM 154 N SER A 11 1.159 -22.367 0.355 1.00 13.04 N ATOM 155 CA SER A 11 0.970 -21.537 1.582 1.00 71.14 C ATOM 156 C SER A 11 2.262 -20.809 2.035 1.00 75.41 C ATOM 157 O SER A 11 2.221 -19.620 2.356 1.00 41.14 O ATOM 158 CB SER A 11 0.424 -22.410 2.738 1.00 60.23 C ATOM 159 OG SER A 11 1.320 -23.463 3.071 1.00 1.11 O ATOM 0 H SER A 11 0.885 -23.341 0.483 1.00 13.04 H new ATOM 0 HA SER A 11 0.247 -20.763 1.323 1.00 71.14 H new ATOM 0 HB2 SER A 11 0.253 -21.786 3.616 1.00 60.23 H new ATOM 0 HB3 SER A 11 -0.541 -22.830 2.453 1.00 60.23 H new ATOM 0 HG SER A 11 0.944 -23.992 3.805 1.00 1.11 H new ATOM 165 N ASP A 12 3.402 -21.537 2.029 1.00 15.51 N ATOM 166 CA ASP A 12 4.735 -20.983 2.391 1.00 54.31 C ATOM 167 C ASP A 12 5.151 -19.843 1.427 1.00 51.25 C ATOM 168 O ASP A 12 5.669 -18.803 1.858 1.00 13.00 O ATOM 169 CB ASP A 12 5.794 -22.119 2.377 1.00 35.53 C ATOM 170 CG ASP A 12 7.207 -21.657 2.790 1.00 54.25 C ATOM 171 OD1 ASP A 12 7.501 -21.612 4.005 1.00 75.53 O ATOM 172 OD2 ASP A 12 8.026 -21.331 1.909 1.00 4.03 O ATOM 0 H ASP A 12 3.428 -22.524 1.774 1.00 15.51 H new ATOM 0 HA ASP A 12 4.672 -20.561 3.394 1.00 54.31 H new ATOM 0 HB2 ASP A 12 5.470 -22.913 3.050 1.00 35.53 H new ATOM 0 HB3 ASP A 12 5.840 -22.548 1.376 1.00 35.53 H new ATOM 177 N GLU A 13 4.909 -20.063 0.122 1.00 22.50 N ATOM 178 CA GLU A 13 5.186 -19.070 -0.938 1.00 65.41 C ATOM 179 C GLU A 13 4.363 -17.782 -0.728 1.00 44.23 C ATOM 180 O GLU A 13 4.897 -16.672 -0.826 1.00 5.54 O ATOM 181 CB GLU A 13 4.879 -19.680 -2.333 1.00 62.54 C ATOM 182 CG GLU A 13 5.702 -20.940 -2.674 1.00 62.45 C ATOM 183 CD GLU A 13 7.218 -20.672 -2.723 1.00 54.34 C ATOM 184 OE1 GLU A 13 7.680 -20.053 -3.708 1.00 11.30 O ATOM 185 OE2 GLU A 13 7.940 -21.044 -1.774 1.00 73.35 O ATOM 0 H GLU A 13 4.515 -20.935 -0.230 1.00 22.50 H new ATOM 0 HA GLU A 13 6.242 -18.806 -0.886 1.00 65.41 H new ATOM 0 HB2 GLU A 13 3.819 -19.929 -2.381 1.00 62.54 H new ATOM 0 HB3 GLU A 13 5.064 -18.923 -3.095 1.00 62.54 H new ATOM 0 HG2 GLU A 13 5.499 -21.712 -1.932 1.00 62.45 H new ATOM 0 HG3 GLU A 13 5.376 -21.331 -3.638 1.00 62.45 H new ATOM 192 N ILE A 14 3.062 -17.954 -0.407 1.00 12.32 N ATOM 193 CA ILE A 14 2.143 -16.826 -0.153 1.00 52.22 C ATOM 194 C ILE A 14 2.593 -16.021 1.091 1.00 1.12 C ATOM 195 O ILE A 14 2.566 -14.805 1.068 1.00 64.15 O ATOM 196 CB ILE A 14 0.643 -17.289 0.031 1.00 73.33 C ATOM 197 CG1 ILE A 14 0.208 -18.233 -1.139 1.00 23.41 C ATOM 198 CG2 ILE A 14 -0.308 -16.062 0.129 1.00 24.41 C ATOM 199 CD1 ILE A 14 -1.249 -18.690 -1.119 1.00 25.43 C ATOM 0 H ILE A 14 2.624 -18.871 -0.318 1.00 12.32 H new ATOM 0 HA ILE A 14 2.186 -16.191 -1.038 1.00 52.22 H new ATOM 0 HB ILE A 14 0.573 -17.847 0.965 1.00 73.33 H new ATOM 0 HG12 ILE A 14 0.395 -17.721 -2.083 1.00 23.41 H new ATOM 0 HG13 ILE A 14 0.846 -19.116 -1.124 1.00 23.41 H new ATOM 0 HG21 ILE A 14 -1.334 -16.406 0.255 1.00 24.41 H new ATOM 0 HG22 ILE A 14 -0.023 -15.448 0.984 1.00 24.41 H new ATOM 0 HG23 ILE A 14 -0.233 -15.470 -0.783 1.00 24.41 H new ATOM 0 HD11 ILE A 14 -1.439 -19.339 -1.974 1.00 25.43 H new ATOM 0 HD12 ILE A 14 -1.446 -19.238 -0.197 1.00 25.43 H new ATOM 0 HD13 ILE A 14 -1.904 -17.820 -1.171 1.00 25.43 H new ATOM 211 N ASN A 15 3.036 -16.726 2.159 1.00 45.33 N ATOM 212 CA ASN A 15 3.530 -16.090 3.414 1.00 31.33 C ATOM 213 C ASN A 15 4.765 -15.183 3.170 1.00 42.21 C ATOM 214 O ASN A 15 4.926 -14.150 3.830 1.00 45.53 O ATOM 215 CB ASN A 15 3.853 -17.163 4.484 1.00 62.34 C ATOM 216 CG ASN A 15 2.620 -17.922 4.982 1.00 24.11 C ATOM 217 OD1 ASN A 15 1.516 -17.388 5.037 1.00 4.14 O ATOM 218 ND2 ASN A 15 2.801 -19.177 5.354 1.00 0.00 N ATOM 0 H ASN A 15 3.063 -17.745 2.180 1.00 45.33 H new ATOM 0 HA ASN A 15 2.726 -15.452 3.782 1.00 31.33 H new ATOM 0 HB2 ASN A 15 4.565 -17.876 4.068 1.00 62.34 H new ATOM 0 HB3 ASN A 15 4.341 -16.683 5.332 1.00 62.34 H new ATOM 0 HD21 ASN A 15 2.013 -19.726 5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.729 -19.597 5.298 1.00 0.00 H new ATOM 225 N ALA A 16 5.622 -15.580 2.211 1.00 63.13 N ATOM 226 CA ALA A 16 6.792 -14.774 1.783 1.00 12.43 C ATOM 227 C ALA A 16 6.347 -13.487 1.033 1.00 2.24 C ATOM 228 O ALA A 16 6.962 -12.424 1.169 1.00 70.12 O ATOM 229 CB ALA A 16 7.718 -15.629 0.902 1.00 42.20 C ATOM 0 H ALA A 16 5.528 -16.464 1.710 1.00 63.13 H new ATOM 0 HA ALA A 16 7.340 -14.460 2.672 1.00 12.43 H new ATOM 0 HB1 ALA A 16 8.576 -15.033 0.590 1.00 42.20 H new ATOM 0 HB2 ALA A 16 8.064 -16.493 1.469 1.00 42.20 H new ATOM 0 HB3 ALA A 16 7.172 -15.968 0.021 1.00 42.20 H new ATOM 235 N ILE A 17 5.261 -13.619 0.256 1.00 33.51 N ATOM 236 CA ILE A 17 4.635 -12.511 -0.510 1.00 22.21 C ATOM 237 C ILE A 17 3.879 -11.530 0.432 1.00 72.22 C ATOM 238 O ILE A 17 3.882 -10.318 0.213 1.00 62.21 O ATOM 239 CB ILE A 17 3.675 -13.126 -1.599 1.00 73.01 C ATOM 240 CG1 ILE A 17 4.513 -14.019 -2.576 1.00 23.11 C ATOM 241 CG2 ILE A 17 2.867 -12.046 -2.363 1.00 72.51 C ATOM 242 CD1 ILE A 17 3.713 -14.872 -3.539 1.00 3.52 C ATOM 0 H ILE A 17 4.779 -14.510 0.135 1.00 33.51 H new ATOM 0 HA ILE A 17 5.411 -11.928 -1.006 1.00 22.21 H new ATOM 0 HB ILE A 17 2.933 -13.742 -1.091 1.00 73.01 H new ATOM 0 HG12 ILE A 17 5.172 -13.372 -3.155 1.00 23.11 H new ATOM 0 HG13 ILE A 17 5.150 -14.675 -1.983 1.00 23.11 H new ATOM 0 HG21 ILE A 17 2.223 -12.527 -3.100 1.00 72.51 H new ATOM 0 HG22 ILE A 17 2.255 -11.483 -1.658 1.00 72.51 H new ATOM 0 HG23 ILE A 17 3.554 -11.368 -2.869 1.00 72.51 H new ATOM 0 HD11 ILE A 17 4.393 -15.448 -4.166 1.00 3.52 H new ATOM 0 HD12 ILE A 17 3.074 -15.553 -2.977 1.00 3.52 H new ATOM 0 HD13 ILE A 17 3.096 -14.230 -4.167 1.00 3.52 H new ATOM 254 N ILE A 18 3.269 -12.082 1.491 1.00 2.31 N ATOM 255 CA ILE A 18 2.618 -11.309 2.574 1.00 64.12 C ATOM 256 C ILE A 18 3.664 -10.454 3.309 1.00 71.02 C ATOM 257 O ILE A 18 3.449 -9.274 3.557 1.00 50.42 O ATOM 258 CB ILE A 18 1.925 -12.281 3.599 1.00 23.02 C ATOM 259 CG1 ILE A 18 0.752 -13.052 2.914 1.00 44.12 C ATOM 260 CG2 ILE A 18 1.441 -11.547 4.883 1.00 51.12 C ATOM 261 CD1 ILE A 18 0.296 -14.284 3.666 1.00 51.45 C ATOM 0 H ILE A 18 3.210 -13.091 1.627 1.00 2.31 H new ATOM 0 HA ILE A 18 1.863 -10.660 2.131 1.00 64.12 H new ATOM 0 HB ILE A 18 2.677 -13.002 3.920 1.00 23.02 H new ATOM 0 HG12 ILE A 18 -0.095 -12.375 2.800 1.00 44.12 H new ATOM 0 HG13 ILE A 18 1.062 -13.346 1.911 1.00 44.12 H new ATOM 0 HG21 ILE A 18 0.970 -12.264 5.556 1.00 51.12 H new ATOM 0 HG22 ILE A 18 2.294 -11.086 5.382 1.00 51.12 H new ATOM 0 HG23 ILE A 18 0.719 -10.776 4.611 1.00 51.12 H new ATOM 0 HD11 ILE A 18 -0.521 -14.760 3.123 1.00 51.45 H new ATOM 0 HD12 ILE A 18 1.127 -14.983 3.757 1.00 51.45 H new ATOM 0 HD13 ILE A 18 -0.048 -13.997 4.660 1.00 51.45 H new ATOM 273 N ARG A 19 4.800 -11.090 3.640 1.00 43.12 N ATOM 274 CA ARG A 19 5.949 -10.422 4.278 1.00 45.55 C ATOM 275 C ARG A 19 6.493 -9.304 3.352 1.00 63.34 C ATOM 276 O ARG A 19 6.862 -8.242 3.831 1.00 24.01 O ATOM 277 CB ARG A 19 7.044 -11.490 4.632 1.00 0.24 C ATOM 278 CG ARG A 19 8.126 -11.068 5.673 1.00 52.02 C ATOM 279 CD ARG A 19 9.183 -10.078 5.140 1.00 52.35 C ATOM 280 NE ARG A 19 10.055 -9.555 6.205 1.00 0.31 N ATOM 281 CZ ARG A 19 11.159 -8.861 6.019 1.00 43.13 C ATOM 282 NH1 ARG A 19 11.672 -8.699 4.838 1.00 35.41 N ATOM 283 NH2 ARG A 19 11.765 -8.354 7.037 1.00 1.45 N ATOM 0 H ARG A 19 4.949 -12.085 3.473 1.00 43.12 H new ATOM 0 HA ARG A 19 5.638 -9.946 5.208 1.00 45.55 H new ATOM 0 HB2 ARG A 19 6.541 -12.381 5.007 1.00 0.24 H new ATOM 0 HB3 ARG A 19 7.552 -11.775 3.710 1.00 0.24 H new ATOM 0 HG2 ARG A 19 7.628 -10.619 6.532 1.00 52.02 H new ATOM 0 HG3 ARG A 19 8.634 -11.963 6.031 1.00 52.02 H new ATOM 0 HD2 ARG A 19 9.794 -10.575 4.386 1.00 52.35 H new ATOM 0 HD3 ARG A 19 8.680 -9.247 4.646 1.00 52.35 H new ATOM 0 HE ARG A 19 9.781 -9.746 7.169 1.00 0.31 H new ATOM 0 HH11 ARG A 19 11.219 -9.114 4.024 1.00 35.41 H new ATOM 0 HH12 ARG A 19 12.528 -8.156 4.724 1.00 35.41 H new ATOM 0 HH21 ARG A 19 11.389 -8.492 7.975 1.00 1.45 H new ATOM 0 HH22 ARG A 19 12.621 -7.815 6.905 1.00 1.45 H new ATOM 297 N ALA A 20 6.506 -9.554 2.028 1.00 32.41 N ATOM 298 CA ALA A 20 6.952 -8.561 1.020 1.00 72.40 C ATOM 299 C ALA A 20 6.032 -7.311 0.986 1.00 72.42 C ATOM 300 O ALA A 20 6.524 -6.182 0.891 1.00 30.23 O ATOM 301 CB ALA A 20 7.034 -9.216 -0.368 1.00 41.54 C ATOM 0 H ALA A 20 6.210 -10.443 1.625 1.00 32.41 H new ATOM 0 HA ALA A 20 7.945 -8.218 1.310 1.00 72.40 H new ATOM 0 HB1 ALA A 20 7.362 -8.478 -1.100 1.00 41.54 H new ATOM 0 HB2 ALA A 20 7.746 -10.041 -0.340 1.00 41.54 H new ATOM 0 HB3 ALA A 20 6.052 -9.595 -0.650 1.00 41.54 H new ATOM 307 N VAL A 21 4.701 -7.530 1.083 1.00 61.14 N ATOM 308 CA VAL A 21 3.694 -6.436 1.111 1.00 64.41 C ATOM 309 C VAL A 21 3.780 -5.641 2.440 1.00 1.41 C ATOM 310 O VAL A 21 3.896 -4.420 2.426 1.00 12.51 O ATOM 311 CB VAL A 21 2.231 -6.988 0.912 1.00 41.34 C ATOM 312 CG1 VAL A 21 1.169 -5.867 1.067 1.00 50.33 C ATOM 313 CG2 VAL A 21 2.080 -7.700 -0.459 1.00 31.11 C ATOM 0 H VAL A 21 4.293 -8.463 1.144 1.00 61.14 H new ATOM 0 HA VAL A 21 3.922 -5.767 0.281 1.00 64.41 H new ATOM 0 HB VAL A 21 2.056 -7.722 1.698 1.00 41.34 H new ATOM 0 HG11 VAL A 21 0.173 -6.287 0.923 1.00 50.33 H new ATOM 0 HG12 VAL A 21 1.240 -5.434 2.065 1.00 50.33 H new ATOM 0 HG13 VAL A 21 1.347 -5.091 0.322 1.00 50.33 H new ATOM 0 HG21 VAL A 21 1.060 -8.070 -0.567 1.00 31.11 H new ATOM 0 HG22 VAL A 21 2.297 -6.995 -1.261 1.00 31.11 H new ATOM 0 HG23 VAL A 21 2.777 -8.536 -0.513 1.00 31.11 H new ATOM 323 N TYR A 22 3.728 -6.367 3.571 1.00 70.21 N ATOM 324 CA TYR A 22 3.865 -5.802 4.938 1.00 34.25 C ATOM 325 C TYR A 22 5.165 -4.949 5.083 1.00 34.53 C ATOM 326 O TYR A 22 5.120 -3.805 5.532 1.00 50.42 O ATOM 327 CB TYR A 22 3.852 -6.956 5.995 1.00 54.12 C ATOM 328 CG TYR A 22 2.471 -7.452 6.485 1.00 5.00 C ATOM 329 CD1 TYR A 22 1.433 -7.739 5.601 1.00 23.04 C ATOM 330 CD2 TYR A 22 2.227 -7.662 7.853 1.00 43.33 C ATOM 331 CE1 TYR A 22 0.213 -8.216 6.062 1.00 3.34 C ATOM 332 CE2 TYR A 22 1.009 -8.133 8.310 1.00 21.33 C ATOM 333 CZ TYR A 22 0.006 -8.409 7.411 1.00 55.33 C ATOM 334 OH TYR A 22 -1.205 -8.895 7.861 1.00 21.24 O ATOM 0 H TYR A 22 3.588 -7.377 3.568 1.00 70.21 H new ATOM 0 HA TYR A 22 3.017 -5.140 5.114 1.00 34.25 H new ATOM 0 HB2 TYR A 22 4.386 -7.807 5.572 1.00 54.12 H new ATOM 0 HB3 TYR A 22 4.419 -6.624 6.864 1.00 54.12 H new ATOM 0 HD1 TYR A 22 1.579 -7.588 4.542 1.00 23.04 H new ATOM 0 HD2 TYR A 22 3.010 -7.450 8.566 1.00 43.33 H new ATOM 0 HE1 TYR A 22 -0.578 -8.437 5.360 1.00 3.34 H new ATOM 0 HE2 TYR A 22 0.847 -8.283 9.367 1.00 21.33 H new ATOM 0 HH TYR A 22 -1.207 -9.873 7.802 1.00 21.24 H new ATOM 344 N ARG A 23 6.305 -5.525 4.661 1.00 53.14 N ATOM 345 CA ARG A 23 7.629 -4.852 4.692 1.00 11.13 C ATOM 346 C ARG A 23 7.631 -3.560 3.850 1.00 60.03 C ATOM 347 O ARG A 23 8.191 -2.546 4.261 1.00 63.52 O ATOM 348 CB ARG A 23 8.729 -5.792 4.147 1.00 32.55 C ATOM 349 CG ARG A 23 10.163 -5.192 4.168 1.00 3.31 C ATOM 350 CD ARG A 23 11.100 -5.877 3.163 1.00 33.33 C ATOM 351 NE ARG A 23 10.635 -5.707 1.764 1.00 34.12 N ATOM 352 CZ ARG A 23 11.373 -5.891 0.688 1.00 23.30 C ATOM 353 NH1 ARG A 23 12.607 -6.274 0.770 1.00 32.12 N ATOM 354 NH2 ARG A 23 10.860 -5.693 -0.481 1.00 41.24 N ATOM 0 H ARG A 23 6.341 -6.473 4.287 1.00 53.14 H new ATOM 0 HA ARG A 23 7.831 -4.599 5.733 1.00 11.13 H new ATOM 0 HB2 ARG A 23 8.726 -6.711 4.733 1.00 32.55 H new ATOM 0 HB3 ARG A 23 8.479 -6.066 3.122 1.00 32.55 H new ATOM 0 HG2 ARG A 23 10.111 -4.127 3.944 1.00 3.31 H new ATOM 0 HG3 ARG A 23 10.579 -5.287 5.171 1.00 3.31 H new ATOM 0 HD2 ARG A 23 12.104 -5.464 3.264 1.00 33.33 H new ATOM 0 HD3 ARG A 23 11.167 -6.940 3.396 1.00 33.33 H new ATOM 0 HE ARG A 23 9.665 -5.425 1.624 1.00 34.12 H new ATOM 0 HH11 ARG A 23 13.030 -6.441 1.683 1.00 32.12 H new ATOM 0 HH12 ARG A 23 13.157 -6.409 -0.079 1.00 32.12 H new ATOM 0 HH21 ARG A 23 9.888 -5.396 -0.568 1.00 41.24 H new ATOM 0 HH22 ARG A 23 11.427 -5.834 -1.317 1.00 41.24 H new ATOM 368 N GLN A 24 7.019 -3.629 2.657 1.00 43.21 N ATOM 369 CA GLN A 24 6.995 -2.503 1.702 1.00 52.30 C ATOM 370 C GLN A 24 6.097 -1.342 2.214 1.00 62.44 C ATOM 371 O GLN A 24 6.503 -0.179 2.176 1.00 4.40 O ATOM 372 CB GLN A 24 6.513 -3.011 0.310 1.00 1.21 C ATOM 373 CG GLN A 24 6.513 -1.955 -0.817 1.00 51.35 C ATOM 374 CD GLN A 24 7.899 -1.382 -1.166 1.00 45.30 C ATOM 375 OE1 GLN A 24 8.920 -2.059 -1.064 1.00 15.21 O ATOM 376 NE2 GLN A 24 7.942 -0.126 -1.578 1.00 11.23 N ATOM 0 H GLN A 24 6.529 -4.460 2.326 1.00 43.21 H new ATOM 0 HA GLN A 24 8.006 -2.106 1.606 1.00 52.30 H new ATOM 0 HB2 GLN A 24 7.149 -3.843 0.006 1.00 1.21 H new ATOM 0 HB3 GLN A 24 5.502 -3.405 0.416 1.00 1.21 H new ATOM 0 HG2 GLN A 24 6.084 -2.402 -1.714 1.00 51.35 H new ATOM 0 HG3 GLN A 24 5.859 -1.133 -0.526 1.00 51.35 H new ATOM 0 HE21 GLN A 24 7.081 0.415 -1.654 1.00 11.23 H new ATOM 0 HE22 GLN A 24 8.836 0.301 -1.819 1.00 11.23 H new ATOM 385 N VAL A 25 4.909 -1.690 2.744 1.00 15.23 N ATOM 386 CA VAL A 25 3.890 -0.703 3.177 1.00 31.15 C ATOM 387 C VAL A 25 4.262 -0.004 4.514 1.00 21.03 C ATOM 388 O VAL A 25 4.069 1.202 4.648 1.00 34.13 O ATOM 389 CB VAL A 25 2.459 -1.350 3.282 1.00 40.25 C ATOM 390 CG1 VAL A 25 1.428 -0.347 3.858 1.00 11.15 C ATOM 391 CG2 VAL A 25 1.984 -1.898 1.905 1.00 72.01 C ATOM 0 H VAL A 25 4.625 -2.659 2.886 1.00 15.23 H new ATOM 0 HA VAL A 25 3.869 0.062 2.401 1.00 31.15 H new ATOM 0 HB VAL A 25 2.532 -2.191 3.972 1.00 40.25 H new ATOM 0 HG11 VAL A 25 0.450 -0.825 3.918 1.00 11.15 H new ATOM 0 HG12 VAL A 25 1.741 -0.035 4.854 1.00 11.15 H new ATOM 0 HG13 VAL A 25 1.367 0.526 3.208 1.00 11.15 H new ATOM 0 HG21 VAL A 25 0.993 -2.338 2.011 1.00 72.01 H new ATOM 0 HG22 VAL A 25 1.943 -1.082 1.183 1.00 72.01 H new ATOM 0 HG23 VAL A 25 2.683 -2.658 1.555 1.00 72.01 H new ATOM 401 N LEU A 26 4.779 -0.745 5.509 1.00 74.14 N ATOM 402 CA LEU A 26 5.242 -0.122 6.777 1.00 15.42 C ATOM 403 C LEU A 26 6.684 0.426 6.634 1.00 53.40 C ATOM 404 O LEU A 26 7.063 1.390 7.311 1.00 45.22 O ATOM 405 CB LEU A 26 5.133 -1.092 7.994 1.00 60.43 C ATOM 406 CG LEU A 26 3.667 -1.488 8.431 1.00 32.22 C ATOM 407 CD1 LEU A 26 3.152 -2.756 7.713 1.00 72.54 C ATOM 408 CD2 LEU A 26 3.542 -1.617 9.969 1.00 75.13 C ATOM 0 H LEU A 26 4.889 -1.758 5.470 1.00 74.14 H new ATOM 0 HA LEU A 26 4.573 0.715 6.978 1.00 15.42 H new ATOM 0 HB2 LEU A 26 5.680 -2.005 7.757 1.00 60.43 H new ATOM 0 HB3 LEU A 26 5.634 -0.633 8.846 1.00 60.43 H new ATOM 0 HG LEU A 26 3.022 -0.668 8.115 1.00 32.22 H new ATOM 0 HD11 LEU A 26 2.141 -2.981 8.052 1.00 72.54 H new ATOM 0 HD12 LEU A 26 3.145 -2.587 6.636 1.00 72.54 H new ATOM 0 HD13 LEU A 26 3.807 -3.596 7.944 1.00 72.54 H new ATOM 0 HD21 LEU A 26 2.519 -1.890 10.229 1.00 75.13 H new ATOM 0 HD22 LEU A 26 4.226 -2.387 10.326 1.00 75.13 H new ATOM 0 HD23 LEU A 26 3.793 -0.664 10.436 1.00 75.13 H new ATOM 420 N GLY A 27 7.475 -0.161 5.717 1.00 52.01 N ATOM 421 CA GLY A 27 8.876 0.243 5.510 1.00 44.33 C ATOM 422 C GLY A 27 9.824 -0.421 6.509 1.00 1.33 C ATOM 423 O GLY A 27 10.644 -1.266 6.137 1.00 74.35 O ATOM 0 H GLY A 27 7.166 -0.918 5.107 1.00 52.01 H new ATOM 0 HA2 GLY A 27 9.181 -0.016 4.496 1.00 44.33 H new ATOM 0 HA3 GLY A 27 8.957 1.326 5.600 1.00 44.33 H new ATOM 427 N ASN A 28 9.702 -0.032 7.793 1.00 33.14 N ATOM 428 CA ASN A 28 10.499 -0.620 8.893 1.00 52.12 C ATOM 429 C ASN A 28 9.865 -1.966 9.312 1.00 42.41 C ATOM 430 O ASN A 28 9.145 -2.043 10.323 1.00 53.23 O ATOM 431 CB ASN A 28 10.583 0.363 10.100 1.00 33.43 C ATOM 432 CG ASN A 28 11.693 0.056 11.132 1.00 44.34 C ATOM 433 OD1 ASN A 28 12.144 0.954 11.824 1.00 15.34 O ATOM 434 ND2 ASN A 28 12.154 -1.186 11.259 1.00 71.33 N ATOM 0 H ASN A 28 9.053 0.694 8.098 1.00 33.14 H new ATOM 0 HA ASN A 28 11.518 -0.799 8.549 1.00 52.12 H new ATOM 0 HB2 ASN A 28 10.737 1.371 9.715 1.00 33.43 H new ATOM 0 HB3 ASN A 28 9.622 0.362 10.615 1.00 33.43 H new ATOM 0 HD21 ASN A 28 12.888 -1.391 11.937 1.00 71.33 H new ATOM 0 HD22 ASN A 28 11.774 -1.933 10.678 1.00 71.33 H new ATOM 441 N ASP A 29 10.148 -3.007 8.504 1.00 44.34 N ATOM 442 CA ASP A 29 9.550 -4.347 8.642 1.00 14.35 C ATOM 443 C ASP A 29 7.998 -4.244 8.684 1.00 63.15 C ATOM 444 O ASP A 29 7.395 -3.801 7.703 1.00 25.13 O ATOM 445 CB ASP A 29 10.157 -5.110 9.855 1.00 24.05 C ATOM 446 CG ASP A 29 11.681 -5.271 9.744 1.00 5.52 C ATOM 447 OD1 ASP A 29 12.419 -4.333 10.131 1.00 62.44 O ATOM 448 OD2 ASP A 29 12.149 -6.325 9.248 1.00 11.30 O ATOM 0 H ASP A 29 10.807 -2.938 7.728 1.00 44.34 H new ATOM 0 HA ASP A 29 9.798 -4.944 7.765 1.00 14.35 H new ATOM 0 HB2 ASP A 29 9.917 -4.575 10.774 1.00 24.05 H new ATOM 0 HB3 ASP A 29 9.695 -6.094 9.929 1.00 24.05 H new ATOM 453 N TYR A 30 7.367 -4.572 9.841 1.00 43.43 N ATOM 454 CA TYR A 30 5.892 -4.609 9.978 1.00 22.22 C ATOM 455 C TYR A 30 5.449 -4.947 11.414 1.00 75.51 C ATOM 456 O TYR A 30 6.268 -5.138 12.316 1.00 74.04 O ATOM 457 CB TYR A 30 5.264 -5.641 8.999 1.00 54.53 C ATOM 458 CG TYR A 30 5.875 -7.052 9.086 1.00 22.14 C ATOM 459 CD1 TYR A 30 5.495 -7.960 10.083 1.00 14.54 C ATOM 460 CD2 TYR A 30 6.846 -7.463 8.177 1.00 71.44 C ATOM 461 CE1 TYR A 30 6.069 -9.208 10.161 1.00 12.22 C ATOM 462 CE2 TYR A 30 7.412 -8.707 8.255 1.00 74.24 C ATOM 463 CZ TYR A 30 7.025 -9.579 9.247 1.00 45.34 C ATOM 464 OH TYR A 30 7.605 -10.829 9.323 1.00 32.22 O ATOM 0 H TYR A 30 7.864 -4.816 10.698 1.00 43.43 H new ATOM 0 HA TYR A 30 5.537 -3.608 9.733 1.00 22.22 H new ATOM 0 HB2 TYR A 30 4.194 -5.708 9.198 1.00 54.53 H new ATOM 0 HB3 TYR A 30 5.376 -5.272 7.980 1.00 54.53 H new ATOM 0 HD1 TYR A 30 4.740 -7.676 10.801 1.00 14.54 H new ATOM 0 HD2 TYR A 30 7.159 -6.787 7.395 1.00 71.44 H new ATOM 0 HE1 TYR A 30 5.769 -9.894 10.939 1.00 12.22 H new ATOM 0 HE2 TYR A 30 8.163 -9.004 7.538 1.00 74.24 H new ATOM 0 HH TYR A 30 8.260 -10.930 8.601 1.00 32.22 H new ATOM 474 N VAL A 31 4.121 -5.045 11.581 1.00 4.45 N ATOM 475 CA VAL A 31 3.466 -5.534 12.807 1.00 41.21 C ATOM 476 C VAL A 31 2.816 -6.920 12.551 1.00 11.15 C ATOM 477 O VAL A 31 2.221 -7.148 11.492 1.00 42.33 O ATOM 478 CB VAL A 31 2.375 -4.513 13.280 1.00 55.25 C ATOM 479 CG1 VAL A 31 1.615 -5.032 14.516 1.00 50.14 C ATOM 480 CG2 VAL A 31 2.999 -3.122 13.546 1.00 61.23 C ATOM 0 H VAL A 31 3.457 -4.781 10.853 1.00 4.45 H new ATOM 0 HA VAL A 31 4.219 -5.635 13.588 1.00 41.21 H new ATOM 0 HB VAL A 31 1.649 -4.406 12.474 1.00 55.25 H new ATOM 0 HG11 VAL A 31 0.866 -4.299 14.817 1.00 50.14 H new ATOM 0 HG12 VAL A 31 1.123 -5.974 14.272 1.00 50.14 H new ATOM 0 HG13 VAL A 31 2.317 -5.191 15.335 1.00 50.14 H new ATOM 0 HG21 VAL A 31 2.222 -2.431 13.873 1.00 61.23 H new ATOM 0 HG22 VAL A 31 3.759 -3.207 14.322 1.00 61.23 H new ATOM 0 HG23 VAL A 31 3.456 -2.747 12.630 1.00 61.23 H new ATOM 490 N MET A 32 2.938 -7.830 13.536 1.00 12.12 N ATOM 491 CA MET A 32 2.374 -9.194 13.460 1.00 3.04 C ATOM 492 C MET A 32 2.115 -9.767 14.877 1.00 23.44 C ATOM 493 O MET A 32 1.054 -10.353 15.137 1.00 22.23 O ATOM 494 CB MET A 32 3.322 -10.118 12.653 1.00 43.22 C ATOM 495 CG MET A 32 2.835 -11.567 12.493 1.00 44.52 C ATOM 496 SD MET A 32 3.862 -12.537 11.363 1.00 44.14 S ATOM 497 CE MET A 32 3.463 -11.805 9.770 1.00 12.22 C ATOM 0 H MET A 32 3.431 -7.641 14.409 1.00 12.12 H new ATOM 0 HA MET A 32 1.415 -9.144 12.944 1.00 3.04 H new ATOM 0 HB2 MET A 32 3.468 -9.688 11.662 1.00 43.22 H new ATOM 0 HB3 MET A 32 4.296 -10.130 13.142 1.00 43.22 H new ATOM 0 HG2 MET A 32 2.823 -12.050 13.470 1.00 44.52 H new ATOM 0 HG3 MET A 32 1.808 -11.561 12.128 1.00 44.52 H new ATOM 0 HE1 MET A 32 3.058 -12.571 9.109 1.00 12.22 H new ATOM 0 HE2 MET A 32 2.724 -11.016 9.907 1.00 12.22 H new ATOM 0 HE3 MET A 32 4.365 -11.384 9.327 1.00 12.22 H new ATOM 507 N SER A 33 3.099 -9.586 15.788 1.00 72.13 N ATOM 508 CA SER A 33 3.012 -10.063 17.199 1.00 65.11 C ATOM 509 C SER A 33 1.912 -9.335 18.017 1.00 50.13 C ATOM 510 O SER A 33 1.442 -9.855 19.032 1.00 25.33 O ATOM 511 CB SER A 33 4.380 -9.899 17.904 1.00 24.21 C ATOM 512 OG SER A 33 5.389 -10.668 17.263 1.00 24.35 O ATOM 0 H SER A 33 3.974 -9.108 15.573 1.00 72.13 H new ATOM 0 HA SER A 33 2.737 -11.117 17.156 1.00 65.11 H new ATOM 0 HB2 SER A 33 4.667 -8.847 17.905 1.00 24.21 H new ATOM 0 HB3 SER A 33 4.293 -10.206 18.946 1.00 24.21 H new ATOM 0 HG SER A 33 6.242 -10.543 17.730 1.00 24.35 H new ATOM 518 N THR A 34 1.508 -8.136 17.559 1.00 74.22 N ATOM 519 CA THR A 34 0.496 -7.290 18.235 1.00 60.32 C ATOM 520 C THR A 34 -0.570 -6.794 17.220 1.00 2.42 C ATOM 521 O THR A 34 -0.566 -5.631 16.791 1.00 11.21 O ATOM 522 CB THR A 34 1.195 -6.099 18.991 1.00 2.33 C ATOM 523 OG1 THR A 34 0.211 -5.205 19.545 1.00 51.34 O ATOM 524 CG2 THR A 34 2.179 -5.311 18.090 1.00 52.33 C ATOM 0 H THR A 34 1.875 -7.720 16.703 1.00 74.22 H new ATOM 0 HA THR A 34 -0.026 -7.889 18.981 1.00 60.32 H new ATOM 0 HB THR A 34 1.780 -6.542 19.796 1.00 2.33 H new ATOM 0 HG1 THR A 34 0.662 -4.471 20.013 1.00 51.34 H new ATOM 0 HG21 THR A 34 2.631 -4.502 18.665 1.00 52.33 H new ATOM 0 HG22 THR A 34 2.960 -5.981 17.731 1.00 52.33 H new ATOM 0 HG23 THR A 34 1.639 -4.894 17.240 1.00 52.33 H new ATOM 532 N GLU A 35 -1.472 -7.725 16.838 1.00 32.00 N ATOM 533 CA GLU A 35 -2.478 -7.537 15.752 1.00 41.43 C ATOM 534 C GLU A 35 -1.831 -7.471 14.346 1.00 62.02 C ATOM 535 O GLU A 35 -0.656 -7.151 14.186 1.00 35.41 O ATOM 536 CB GLU A 35 -3.413 -6.304 16.000 1.00 14.43 C ATOM 537 CG GLU A 35 -4.459 -6.496 17.120 1.00 65.52 C ATOM 538 CD GLU A 35 -5.549 -7.522 16.750 1.00 4.41 C ATOM 539 OE1 GLU A 35 -6.553 -7.143 16.099 1.00 2.35 O ATOM 540 OE2 GLU A 35 -5.395 -8.720 17.079 1.00 44.14 O ATOM 0 H GLU A 35 -1.528 -8.644 17.278 1.00 32.00 H new ATOM 0 HA GLU A 35 -3.105 -8.428 15.779 1.00 41.43 H new ATOM 0 HB2 GLU A 35 -2.794 -5.441 16.245 1.00 14.43 H new ATOM 0 HB3 GLU A 35 -3.935 -6.069 15.072 1.00 14.43 H new ATOM 0 HG2 GLU A 35 -3.955 -6.821 18.030 1.00 65.52 H new ATOM 0 HG3 GLU A 35 -4.929 -5.537 17.341 1.00 65.52 H new ATOM 547 N ARG A 36 -2.639 -7.839 13.345 1.00 24.23 N ATOM 548 CA ARG A 36 -2.304 -7.808 11.899 1.00 45.31 C ATOM 549 C ARG A 36 -3.569 -8.173 11.102 1.00 12.35 C ATOM 550 O ARG A 36 -4.614 -8.470 11.698 1.00 61.01 O ATOM 551 CB ARG A 36 -1.067 -8.728 11.556 1.00 24.02 C ATOM 552 CG ARG A 36 -1.066 -10.124 12.239 1.00 74.33 C ATOM 553 CD ARG A 36 -1.843 -11.214 11.481 1.00 13.25 C ATOM 554 NE ARG A 36 -1.000 -11.925 10.495 1.00 74.44 N ATOM 555 CZ ARG A 36 -0.203 -12.950 10.768 1.00 61.22 C ATOM 556 NH1 ARG A 36 -0.145 -13.456 11.956 1.00 4.05 N ATOM 557 NH2 ARG A 36 0.519 -13.470 9.839 1.00 74.53 N ATOM 0 H ARG A 36 -3.584 -8.182 13.517 1.00 24.23 H new ATOM 0 HA ARG A 36 -1.988 -6.804 11.614 1.00 45.31 H new ATOM 0 HB2 ARG A 36 -1.030 -8.871 10.476 1.00 24.02 H new ATOM 0 HB3 ARG A 36 -0.155 -8.203 11.840 1.00 24.02 H new ATOM 0 HG2 ARG A 36 -0.034 -10.452 12.362 1.00 74.33 H new ATOM 0 HG3 ARG A 36 -1.490 -10.024 13.238 1.00 74.33 H new ATOM 0 HD2 ARG A 36 -2.246 -11.932 12.195 1.00 13.25 H new ATOM 0 HD3 ARG A 36 -2.693 -10.762 10.970 1.00 13.25 H new ATOM 0 HE ARG A 36 -1.034 -11.601 9.528 1.00 74.44 H new ATOM 0 HH11 ARG A 36 -0.719 -13.067 12.704 1.00 4.05 H new ATOM 0 HH12 ARG A 36 0.474 -14.244 12.145 1.00 4.05 H new ATOM 0 HH21 ARG A 36 0.479 -13.094 8.892 1.00 74.53 H new ATOM 0 HH22 ARG A 36 1.131 -14.258 10.050 1.00 74.53 H new ATOM 571 N LEU A 37 -3.494 -8.149 9.766 1.00 50.22 N ATOM 572 CA LEU A 37 -4.678 -8.379 8.910 1.00 15.41 C ATOM 573 C LEU A 37 -4.986 -9.877 8.747 1.00 61.14 C ATOM 574 O LEU A 37 -4.882 -10.408 7.659 1.00 44.25 O ATOM 575 CB LEU A 37 -4.483 -7.723 7.530 1.00 32.22 C ATOM 576 CG LEU A 37 -4.231 -6.196 7.524 1.00 52.42 C ATOM 577 CD1 LEU A 37 -4.084 -5.703 6.090 1.00 64.24 C ATOM 578 CD2 LEU A 37 -5.339 -5.419 8.270 1.00 14.13 C ATOM 0 H LEU A 37 -2.632 -7.974 9.250 1.00 50.22 H new ATOM 0 HA LEU A 37 -5.532 -7.918 9.407 1.00 15.41 H new ATOM 0 HB2 LEU A 37 -3.642 -8.210 7.036 1.00 32.22 H new ATOM 0 HB3 LEU A 37 -5.368 -7.926 6.927 1.00 32.22 H new ATOM 0 HG LEU A 37 -3.303 -6.006 8.063 1.00 52.42 H new ATOM 0 HD11 LEU A 37 -3.907 -4.628 6.091 1.00 64.24 H new ATOM 0 HD12 LEU A 37 -3.243 -6.209 5.616 1.00 64.24 H new ATOM 0 HD13 LEU A 37 -4.997 -5.920 5.535 1.00 64.24 H new ATOM 0 HD21 LEU A 37 -5.119 -4.352 8.239 1.00 14.13 H new ATOM 0 HD22 LEU A 37 -6.300 -5.605 7.790 1.00 14.13 H new ATOM 0 HD23 LEU A 37 -5.381 -5.751 9.307 1.00 14.13 H new ATOM 590 N THR A 38 -5.389 -10.541 9.839 1.00 21.24 N ATOM 591 CA THR A 38 -5.696 -11.991 9.830 1.00 30.30 C ATOM 592 C THR A 38 -6.845 -12.350 8.843 1.00 72.42 C ATOM 593 O THR A 38 -6.832 -13.421 8.241 1.00 75.15 O ATOM 594 CB THR A 38 -6.036 -12.506 11.270 1.00 52.40 C ATOM 595 OG1 THR A 38 -6.326 -13.917 11.236 1.00 74.33 O ATOM 596 CG2 THR A 38 -7.220 -11.746 11.905 1.00 71.44 C ATOM 0 H THR A 38 -5.513 -10.099 10.750 1.00 21.24 H new ATOM 0 HA THR A 38 -4.796 -12.495 9.479 1.00 30.30 H new ATOM 0 HB THR A 38 -5.159 -12.321 11.890 1.00 52.40 H new ATOM 0 HG1 THR A 38 -6.536 -14.230 12.141 1.00 74.33 H new ATOM 0 HG21 THR A 38 -7.414 -12.142 12.902 1.00 71.44 H new ATOM 0 HG22 THR A 38 -6.976 -10.686 11.977 1.00 71.44 H new ATOM 0 HG23 THR A 38 -8.108 -11.872 11.285 1.00 71.44 H new ATOM 604 N SER A 39 -7.815 -11.423 8.661 1.00 61.50 N ATOM 605 CA SER A 39 -8.958 -11.618 7.726 1.00 3.12 C ATOM 606 C SER A 39 -8.522 -11.491 6.244 1.00 32.32 C ATOM 607 O SER A 39 -8.747 -12.406 5.445 1.00 2.43 O ATOM 608 CB SER A 39 -10.085 -10.599 8.036 1.00 41.42 C ATOM 609 OG SER A 39 -11.155 -10.693 7.102 1.00 53.25 O ATOM 0 H SER A 39 -7.832 -10.528 9.150 1.00 61.50 H new ATOM 0 HA SER A 39 -9.333 -12.631 7.876 1.00 3.12 H new ATOM 0 HB2 SER A 39 -10.465 -10.773 9.043 1.00 41.42 H new ATOM 0 HB3 SER A 39 -9.676 -9.589 8.020 1.00 41.42 H new ATOM 0 HG SER A 39 -11.847 -10.037 7.330 1.00 53.25 H new ATOM 615 N ALA A 40 -7.852 -10.366 5.901 1.00 40.41 N ATOM 616 CA ALA A 40 -7.416 -10.073 4.503 1.00 14.31 C ATOM 617 C ALA A 40 -6.333 -11.064 4.030 1.00 22.40 C ATOM 618 O ALA A 40 -6.302 -11.479 2.865 1.00 34.11 O ATOM 619 CB ALA A 40 -6.899 -8.628 4.387 1.00 0.41 C ATOM 0 H ALA A 40 -7.598 -9.640 6.571 1.00 40.41 H new ATOM 0 HA ALA A 40 -8.286 -10.190 3.857 1.00 14.31 H new ATOM 0 HB1 ALA A 40 -6.586 -8.435 3.361 1.00 0.41 H new ATOM 0 HB2 ALA A 40 -7.694 -7.934 4.661 1.00 0.41 H new ATOM 0 HB3 ALA A 40 -6.050 -8.490 5.057 1.00 0.41 H new ATOM 625 N GLU A 41 -5.452 -11.425 4.962 1.00 53.10 N ATOM 626 CA GLU A 41 -4.370 -12.398 4.741 1.00 54.41 C ATOM 627 C GLU A 41 -4.919 -13.807 4.444 1.00 73.15 C ATOM 628 O GLU A 41 -4.435 -14.484 3.539 1.00 41.54 O ATOM 629 CB GLU A 41 -3.470 -12.425 5.988 1.00 32.35 C ATOM 630 CG GLU A 41 -2.173 -13.206 5.829 1.00 50.52 C ATOM 631 CD GLU A 41 -1.332 -13.236 7.107 1.00 2.12 C ATOM 632 OE1 GLU A 41 -0.784 -12.173 7.496 1.00 13.52 O ATOM 633 OE2 GLU A 41 -1.218 -14.316 7.730 1.00 30.02 O ATOM 0 H GLU A 41 -5.466 -11.046 5.909 1.00 53.10 H new ATOM 0 HA GLU A 41 -3.795 -12.090 3.868 1.00 54.41 H new ATOM 0 HB2 GLU A 41 -3.227 -11.399 6.264 1.00 32.35 H new ATOM 0 HB3 GLU A 41 -4.035 -12.853 6.816 1.00 32.35 H new ATOM 0 HG2 GLU A 41 -2.405 -14.228 5.530 1.00 50.52 H new ATOM 0 HG3 GLU A 41 -1.585 -12.764 5.024 1.00 50.52 H new ATOM 640 N SER A 42 -5.939 -14.234 5.219 1.00 51.44 N ATOM 641 CA SER A 42 -6.660 -15.515 4.983 1.00 40.13 C ATOM 642 C SER A 42 -7.342 -15.547 3.597 1.00 44.51 C ATOM 643 O SER A 42 -7.514 -16.619 3.014 1.00 12.50 O ATOM 644 CB SER A 42 -7.717 -15.774 6.088 1.00 54.12 C ATOM 645 OG SER A 42 -7.110 -16.035 7.343 1.00 21.35 O ATOM 0 H SER A 42 -6.288 -13.709 6.021 1.00 51.44 H new ATOM 0 HA SER A 42 -5.910 -16.305 5.014 1.00 40.13 H new ATOM 0 HB2 SER A 42 -8.373 -14.908 6.174 1.00 54.12 H new ATOM 0 HB3 SER A 42 -8.342 -16.620 5.803 1.00 54.12 H new ATOM 0 HG SER A 42 -6.937 -15.188 7.805 1.00 21.35 H new ATOM 651 N LEU A 43 -7.739 -14.364 3.087 1.00 53.05 N ATOM 652 CA LEU A 43 -8.339 -14.222 1.742 1.00 55.15 C ATOM 653 C LEU A 43 -7.273 -14.295 0.614 1.00 53.12 C ATOM 654 O LEU A 43 -7.566 -14.771 -0.478 1.00 24.42 O ATOM 655 CB LEU A 43 -9.155 -12.905 1.656 1.00 74.43 C ATOM 656 CG LEU A 43 -10.369 -12.795 2.639 1.00 55.15 C ATOM 657 CD1 LEU A 43 -11.065 -11.423 2.536 1.00 24.24 C ATOM 658 CD2 LEU A 43 -11.376 -13.950 2.422 1.00 22.14 C ATOM 0 H LEU A 43 -7.654 -13.482 3.592 1.00 53.05 H new ATOM 0 HA LEU A 43 -9.014 -15.064 1.590 1.00 55.15 H new ATOM 0 HB2 LEU A 43 -8.482 -12.069 1.844 1.00 74.43 H new ATOM 0 HB3 LEU A 43 -9.525 -12.794 0.637 1.00 74.43 H new ATOM 0 HG LEU A 43 -9.973 -12.884 3.651 1.00 55.15 H new ATOM 0 HD11 LEU A 43 -11.902 -11.386 3.233 1.00 24.24 H new ATOM 0 HD12 LEU A 43 -10.353 -10.635 2.781 1.00 24.24 H new ATOM 0 HD13 LEU A 43 -11.433 -11.277 1.520 1.00 24.24 H new ATOM 0 HD21 LEU A 43 -12.207 -13.844 3.120 1.00 22.14 H new ATOM 0 HD22 LEU A 43 -11.754 -13.916 1.400 1.00 22.14 H new ATOM 0 HD23 LEU A 43 -10.878 -14.904 2.593 1.00 22.14 H new ATOM 670 N LEU A 44 -6.039 -13.814 0.873 1.00 21.43 N ATOM 671 CA LEU A 44 -4.916 -13.949 -0.102 1.00 10.22 C ATOM 672 C LEU A 44 -4.429 -15.423 -0.160 1.00 14.31 C ATOM 673 O LEU A 44 -4.244 -15.998 -1.237 1.00 2.12 O ATOM 674 CB LEU A 44 -3.739 -13.000 0.265 1.00 42.55 C ATOM 675 CG LEU A 44 -2.570 -12.937 -0.781 1.00 71.10 C ATOM 676 CD1 LEU A 44 -3.046 -12.350 -2.131 1.00 42.52 C ATOM 677 CD2 LEU A 44 -1.351 -12.164 -0.226 1.00 24.25 C ATOM 0 H LEU A 44 -5.788 -13.333 1.737 1.00 21.43 H new ATOM 0 HA LEU A 44 -5.284 -13.662 -1.087 1.00 10.22 H new ATOM 0 HB2 LEU A 44 -4.136 -11.994 0.402 1.00 42.55 H new ATOM 0 HB3 LEU A 44 -3.328 -13.314 1.225 1.00 42.55 H new ATOM 0 HG LEU A 44 -2.248 -13.961 -0.967 1.00 71.10 H new ATOM 0 HD11 LEU A 44 -2.210 -12.322 -2.830 1.00 42.52 H new ATOM 0 HD12 LEU A 44 -3.840 -12.975 -2.540 1.00 42.52 H new ATOM 0 HD13 LEU A 44 -3.423 -11.339 -1.975 1.00 42.52 H new ATOM 0 HD21 LEU A 44 -0.562 -12.141 -0.978 1.00 24.25 H new ATOM 0 HD22 LEU A 44 -1.648 -11.144 0.020 1.00 24.25 H new ATOM 0 HD23 LEU A 44 -0.983 -12.661 0.672 1.00 24.25 H new ATOM 689 N ARG A 45 -4.249 -16.012 1.034 1.00 22.12 N ATOM 690 CA ARG A 45 -3.888 -17.440 1.222 1.00 64.42 C ATOM 691 C ARG A 45 -5.018 -18.394 0.753 1.00 12.50 C ATOM 692 O ARG A 45 -4.752 -19.527 0.342 1.00 55.21 O ATOM 693 CB ARG A 45 -3.551 -17.683 2.722 1.00 31.31 C ATOM 694 CG ARG A 45 -2.270 -16.959 3.207 1.00 73.21 C ATOM 695 CD ARG A 45 -2.198 -16.786 4.739 1.00 63.20 C ATOM 696 NE ARG A 45 -2.201 -18.050 5.483 1.00 44.02 N ATOM 697 CZ ARG A 45 -2.171 -18.150 6.797 1.00 44.32 C ATOM 698 NH1 ARG A 45 -2.094 -17.099 7.563 1.00 2.32 N ATOM 699 NH2 ARG A 45 -2.208 -19.316 7.341 1.00 31.41 N ATOM 0 H ARG A 45 -4.350 -15.507 1.914 1.00 22.12 H new ATOM 0 HA ARG A 45 -3.017 -17.660 0.605 1.00 64.42 H new ATOM 0 HB2 ARG A 45 -4.394 -17.355 3.331 1.00 31.31 H new ATOM 0 HB3 ARG A 45 -3.436 -18.754 2.889 1.00 31.31 H new ATOM 0 HG2 ARG A 45 -1.397 -17.520 2.872 1.00 73.21 H new ATOM 0 HG3 ARG A 45 -2.218 -15.977 2.736 1.00 73.21 H new ATOM 0 HD2 ARG A 45 -1.294 -16.231 4.990 1.00 63.20 H new ATOM 0 HD3 ARG A 45 -3.044 -16.182 5.066 1.00 63.20 H new ATOM 0 HE ARG A 45 -2.228 -18.915 4.944 1.00 44.02 H new ATOM 0 HH11 ARG A 45 -2.055 -16.168 7.149 1.00 2.32 H new ATOM 0 HH12 ARG A 45 -2.073 -17.207 8.577 1.00 2.32 H new ATOM 0 HH21 ARG A 45 -2.260 -20.150 6.756 1.00 31.41 H new ATOM 0 HH22 ARG A 45 -2.185 -19.406 8.357 1.00 31.41 H new ATOM 713 N GLY A 46 -6.275 -17.918 0.831 1.00 20.04 N ATOM 714 CA GLY A 46 -7.451 -18.674 0.368 1.00 31.14 C ATOM 715 C GLY A 46 -7.764 -18.486 -1.124 1.00 1.14 C ATOM 716 O GLY A 46 -8.705 -19.098 -1.638 1.00 2.41 O ATOM 0 H GLY A 46 -6.502 -17.001 1.216 1.00 20.04 H new ATOM 0 HA2 GLY A 46 -7.290 -19.734 0.565 1.00 31.14 H new ATOM 0 HA3 GLY A 46 -8.319 -18.370 0.952 1.00 31.14 H new ATOM 720 N GLY A 47 -6.968 -17.644 -1.822 1.00 61.53 N ATOM 721 CA GLY A 47 -7.162 -17.370 -3.264 1.00 5.35 C ATOM 722 C GLY A 47 -8.359 -16.468 -3.604 1.00 23.45 C ATOM 723 O GLY A 47 -8.731 -16.334 -4.775 1.00 1.30 O ATOM 0 H GLY A 47 -6.183 -17.141 -1.408 1.00 61.53 H new ATOM 0 HA2 GLY A 47 -6.256 -16.907 -3.654 1.00 5.35 H new ATOM 0 HA3 GLY A 47 -7.284 -18.320 -3.785 1.00 5.35 H new ATOM 727 N GLU A 48 -8.950 -15.848 -2.580 1.00 14.32 N ATOM 728 CA GLU A 48 -10.163 -15.010 -2.708 1.00 41.55 C ATOM 729 C GLU A 48 -9.866 -13.565 -3.187 1.00 14.33 C ATOM 730 O GLU A 48 -10.714 -12.948 -3.842 1.00 44.50 O ATOM 731 CB GLU A 48 -10.906 -14.983 -1.352 1.00 75.34 C ATOM 732 CG GLU A 48 -11.312 -16.375 -0.820 1.00 23.34 C ATOM 733 CD GLU A 48 -12.251 -17.134 -1.777 1.00 61.42 C ATOM 734 OE1 GLU A 48 -13.436 -16.747 -1.885 1.00 34.12 O ATOM 735 OE2 GLU A 48 -11.807 -18.103 -2.435 1.00 22.23 O ATOM 0 H GLU A 48 -8.602 -15.909 -1.623 1.00 14.32 H new ATOM 0 HA GLU A 48 -10.788 -15.461 -3.479 1.00 41.55 H new ATOM 0 HB2 GLU A 48 -10.270 -14.496 -0.613 1.00 75.34 H new ATOM 0 HB3 GLU A 48 -11.802 -14.371 -1.454 1.00 75.34 H new ATOM 0 HG2 GLU A 48 -10.414 -16.970 -0.653 1.00 23.34 H new ATOM 0 HG3 GLU A 48 -11.803 -16.260 0.146 1.00 23.34 H new ATOM 742 N ILE A 49 -8.679 -13.015 -2.840 1.00 43.52 N ATOM 743 CA ILE A 49 -8.250 -11.663 -3.300 1.00 20.34 C ATOM 744 C ILE A 49 -6.875 -11.716 -4.007 1.00 62.45 C ATOM 745 O ILE A 49 -6.116 -12.686 -3.869 1.00 4.01 O ATOM 746 CB ILE A 49 -8.190 -10.592 -2.129 1.00 65.44 C ATOM 747 CG1 ILE A 49 -7.076 -10.933 -1.078 1.00 52.02 C ATOM 748 CG2 ILE A 49 -9.573 -10.425 -1.446 1.00 14.20 C ATOM 749 CD1 ILE A 49 -6.861 -9.875 -0.002 1.00 64.13 C ATOM 0 H ILE A 49 -7.997 -13.483 -2.243 1.00 43.52 H new ATOM 0 HA ILE A 49 -9.016 -11.343 -4.006 1.00 20.34 H new ATOM 0 HB ILE A 49 -7.923 -9.637 -2.583 1.00 65.44 H new ATOM 0 HG12 ILE A 49 -7.331 -11.876 -0.594 1.00 52.02 H new ATOM 0 HG13 ILE A 49 -6.135 -11.090 -1.606 1.00 52.02 H new ATOM 0 HG21 ILE A 49 -9.498 -9.685 -0.649 1.00 14.20 H new ATOM 0 HG22 ILE A 49 -10.305 -10.092 -2.182 1.00 14.20 H new ATOM 0 HG23 ILE A 49 -9.889 -11.380 -1.026 1.00 14.20 H new ATOM 0 HD11 ILE A 49 -6.072 -10.201 0.676 1.00 64.13 H new ATOM 0 HD12 ILE A 49 -6.571 -8.934 -0.470 1.00 64.13 H new ATOM 0 HD13 ILE A 49 -7.785 -9.732 0.558 1.00 64.13 H new ATOM 761 N SER A 50 -6.585 -10.648 -4.769 1.00 61.34 N ATOM 762 CA SER A 50 -5.285 -10.434 -5.441 1.00 50.42 C ATOM 763 C SER A 50 -4.343 -9.611 -4.544 1.00 50.30 C ATOM 764 O SER A 50 -4.764 -9.078 -3.504 1.00 32.44 O ATOM 765 CB SER A 50 -5.484 -9.706 -6.801 1.00 25.40 C ATOM 766 OG SER A 50 -6.261 -10.482 -7.699 1.00 52.41 O ATOM 0 H SER A 50 -7.254 -9.897 -4.940 1.00 61.34 H new ATOM 0 HA SER A 50 -4.836 -11.410 -5.626 1.00 50.42 H new ATOM 0 HB2 SER A 50 -5.972 -8.746 -6.633 1.00 25.40 H new ATOM 0 HB3 SER A 50 -4.512 -9.496 -7.248 1.00 25.40 H new ATOM 0 HG SER A 50 -6.047 -10.228 -8.621 1.00 52.41 H new ATOM 772 N VAL A 51 -3.069 -9.497 -4.967 1.00 23.44 N ATOM 773 CA VAL A 51 -2.046 -8.705 -4.245 1.00 54.02 C ATOM 774 C VAL A 51 -2.454 -7.217 -4.137 1.00 4.52 C ATOM 775 O VAL A 51 -2.246 -6.611 -3.104 1.00 51.51 O ATOM 776 CB VAL A 51 -0.628 -8.825 -4.921 1.00 55.43 C ATOM 777 CG1 VAL A 51 0.443 -7.958 -4.201 1.00 71.13 C ATOM 778 CG2 VAL A 51 -0.181 -10.303 -4.985 1.00 31.52 C ATOM 0 H VAL A 51 -2.719 -9.947 -5.813 1.00 23.44 H new ATOM 0 HA VAL A 51 -1.982 -9.122 -3.240 1.00 54.02 H new ATOM 0 HB VAL A 51 -0.721 -8.440 -5.936 1.00 55.43 H new ATOM 0 HG11 VAL A 51 1.403 -8.074 -4.704 1.00 71.13 H new ATOM 0 HG12 VAL A 51 0.143 -6.911 -4.230 1.00 71.13 H new ATOM 0 HG13 VAL A 51 0.535 -8.281 -3.164 1.00 71.13 H new ATOM 0 HG21 VAL A 51 0.800 -10.366 -5.455 1.00 31.52 H new ATOM 0 HG22 VAL A 51 -0.127 -10.711 -3.976 1.00 31.52 H new ATOM 0 HG23 VAL A 51 -0.901 -10.876 -5.570 1.00 31.52 H new ATOM 788 N ARG A 52 -3.066 -6.662 -5.202 1.00 20.45 N ATOM 789 CA ARG A 52 -3.515 -5.241 -5.239 1.00 54.44 C ATOM 790 C ARG A 52 -4.498 -4.886 -4.089 1.00 44.52 C ATOM 791 O ARG A 52 -4.321 -3.874 -3.396 1.00 3.03 O ATOM 792 CB ARG A 52 -4.168 -4.925 -6.605 1.00 43.20 C ATOM 793 CG ARG A 52 -4.779 -3.509 -6.727 1.00 21.30 C ATOM 794 CD ARG A 52 -5.307 -3.211 -8.140 1.00 60.34 C ATOM 795 NE ARG A 52 -4.236 -3.311 -9.144 1.00 62.52 N ATOM 796 CZ ARG A 52 -4.406 -3.309 -10.443 1.00 33.14 C ATOM 797 NH1 ARG A 52 -5.576 -3.228 -10.978 1.00 14.21 N ATOM 798 NH2 ARG A 52 -3.386 -3.390 -11.207 1.00 33.21 N ATOM 0 H ARG A 52 -3.266 -7.176 -6.060 1.00 20.45 H new ATOM 0 HA ARG A 52 -2.626 -4.627 -5.099 1.00 54.44 H new ATOM 0 HB2 ARG A 52 -3.418 -5.049 -7.386 1.00 43.20 H new ATOM 0 HB3 ARG A 52 -4.951 -5.659 -6.795 1.00 43.20 H new ATOM 0 HG2 ARG A 52 -5.593 -3.406 -6.010 1.00 21.30 H new ATOM 0 HG3 ARG A 52 -4.025 -2.768 -6.461 1.00 21.30 H new ATOM 0 HD2 ARG A 52 -6.106 -3.910 -8.387 1.00 60.34 H new ATOM 0 HD3 ARG A 52 -5.740 -2.211 -8.165 1.00 60.34 H new ATOM 0 HE ARG A 52 -3.279 -3.389 -8.799 1.00 62.52 H new ATOM 0 HH11 ARG A 52 -6.404 -3.163 -10.386 1.00 14.21 H new ATOM 0 HH12 ARG A 52 -5.674 -3.229 -11.993 1.00 14.21 H new ATOM 0 HH21 ARG A 52 -2.451 -3.455 -10.804 1.00 33.21 H new ATOM 0 HH22 ARG A 52 -3.506 -3.389 -12.220 1.00 33.21 H new ATOM 812 N ASP A 53 -5.533 -5.731 -3.909 1.00 32.22 N ATOM 813 CA ASP A 53 -6.541 -5.559 -2.835 1.00 72.24 C ATOM 814 C ASP A 53 -5.889 -5.696 -1.434 1.00 74.32 C ATOM 815 O ASP A 53 -6.278 -5.011 -0.477 1.00 13.05 O ATOM 816 CB ASP A 53 -7.677 -6.598 -3.008 1.00 32.00 C ATOM 817 CG ASP A 53 -8.877 -6.330 -2.080 1.00 44.34 C ATOM 818 OD1 ASP A 53 -9.753 -5.522 -2.455 1.00 22.31 O ATOM 819 OD2 ASP A 53 -8.941 -6.897 -0.967 1.00 13.43 O ATOM 0 H ASP A 53 -5.696 -6.548 -4.498 1.00 32.22 H new ATOM 0 HA ASP A 53 -6.961 -4.556 -2.912 1.00 72.24 H new ATOM 0 HB2 ASP A 53 -8.016 -6.590 -4.044 1.00 32.00 H new ATOM 0 HB3 ASP A 53 -7.285 -7.595 -2.808 1.00 32.00 H new ATOM 824 N PHE A 54 -4.886 -6.587 -1.351 1.00 24.24 N ATOM 825 CA PHE A 54 -4.129 -6.855 -0.113 1.00 61.33 C ATOM 826 C PHE A 54 -3.192 -5.668 0.260 1.00 54.14 C ATOM 827 O PHE A 54 -3.085 -5.311 1.427 1.00 20.43 O ATOM 828 CB PHE A 54 -3.325 -8.172 -0.276 1.00 61.45 C ATOM 829 CG PHE A 54 -2.658 -8.670 1.006 1.00 71.12 C ATOM 830 CD1 PHE A 54 -3.432 -9.082 2.090 1.00 44.41 C ATOM 831 CD2 PHE A 54 -1.269 -8.730 1.129 1.00 63.24 C ATOM 832 CE1 PHE A 54 -2.840 -9.538 3.247 1.00 3.33 C ATOM 833 CE2 PHE A 54 -0.682 -9.187 2.293 1.00 14.54 C ATOM 834 CZ PHE A 54 -1.469 -9.592 3.348 1.00 54.40 C ATOM 0 H PHE A 54 -4.575 -7.146 -2.146 1.00 24.24 H new ATOM 0 HA PHE A 54 -4.837 -6.966 0.709 1.00 61.33 H new ATOM 0 HB2 PHE A 54 -3.994 -8.948 -0.647 1.00 61.45 H new ATOM 0 HB3 PHE A 54 -2.558 -8.023 -1.036 1.00 61.45 H new ATOM 0 HD1 PHE A 54 -4.509 -9.043 2.022 1.00 44.41 H new ATOM 0 HD2 PHE A 54 -0.646 -8.416 0.305 1.00 63.24 H new ATOM 0 HE1 PHE A 54 -3.454 -9.854 4.077 1.00 3.33 H new ATOM 0 HE2 PHE A 54 0.394 -9.227 2.376 1.00 14.54 H new ATOM 0 HZ PHE A 54 -1.009 -9.953 4.256 1.00 54.40 H new ATOM 844 N VAL A 55 -2.532 -5.062 -0.750 1.00 13.24 N ATOM 845 CA VAL A 55 -1.662 -3.866 -0.573 1.00 43.50 C ATOM 846 C VAL A 55 -2.496 -2.658 -0.094 1.00 22.33 C ATOM 847 O VAL A 55 -2.073 -1.906 0.797 1.00 42.04 O ATOM 848 CB VAL A 55 -0.899 -3.504 -1.908 1.00 71.12 C ATOM 849 CG1 VAL A 55 -0.137 -2.159 -1.797 1.00 74.31 C ATOM 850 CG2 VAL A 55 0.065 -4.640 -2.321 1.00 3.24 C ATOM 0 H VAL A 55 -2.584 -5.385 -1.716 1.00 13.24 H new ATOM 0 HA VAL A 55 -0.918 -4.108 0.186 1.00 43.50 H new ATOM 0 HB VAL A 55 -1.655 -3.389 -2.685 1.00 71.12 H new ATOM 0 HG11 VAL A 55 0.373 -1.951 -2.738 1.00 74.31 H new ATOM 0 HG12 VAL A 55 -0.843 -1.357 -1.582 1.00 74.31 H new ATOM 0 HG13 VAL A 55 0.597 -2.222 -0.993 1.00 74.31 H new ATOM 0 HG21 VAL A 55 0.577 -4.365 -3.243 1.00 3.24 H new ATOM 0 HG22 VAL A 55 0.799 -4.799 -1.531 1.00 3.24 H new ATOM 0 HG23 VAL A 55 -0.501 -5.558 -2.480 1.00 3.24 H new ATOM 860 N ARG A 56 -3.691 -2.510 -0.696 1.00 64.22 N ATOM 861 CA ARG A 56 -4.698 -1.524 -0.266 1.00 54.20 C ATOM 862 C ARG A 56 -5.043 -1.721 1.222 1.00 43.22 C ATOM 863 O ARG A 56 -5.030 -0.774 1.995 1.00 31.25 O ATOM 864 CB ARG A 56 -5.984 -1.667 -1.118 1.00 11.32 C ATOM 865 CG ARG A 56 -7.081 -0.630 -0.795 1.00 21.12 C ATOM 866 CD ARG A 56 -8.389 -0.891 -1.558 1.00 70.20 C ATOM 867 NE ARG A 56 -8.964 -2.221 -1.239 1.00 20.54 N ATOM 868 CZ ARG A 56 -10.125 -2.439 -0.654 1.00 73.13 C ATOM 869 NH1 ARG A 56 -10.867 -1.466 -0.238 1.00 20.44 N ATOM 870 NH2 ARG A 56 -10.531 -3.647 -0.468 1.00 71.51 N ATOM 0 H ARG A 56 -3.985 -3.072 -1.495 1.00 64.22 H new ATOM 0 HA ARG A 56 -4.282 -0.526 -0.406 1.00 54.20 H new ATOM 0 HB2 ARG A 56 -5.719 -1.581 -2.172 1.00 11.32 H new ATOM 0 HB3 ARG A 56 -6.392 -2.667 -0.973 1.00 11.32 H new ATOM 0 HG2 ARG A 56 -7.282 -0.642 0.276 1.00 21.12 H new ATOM 0 HG3 ARG A 56 -6.715 0.367 -1.040 1.00 21.12 H new ATOM 0 HD2 ARG A 56 -9.113 -0.115 -1.312 1.00 70.20 H new ATOM 0 HD3 ARG A 56 -8.203 -0.824 -2.630 1.00 70.20 H new ATOM 0 HE ARG A 56 -8.412 -3.039 -1.495 1.00 20.54 H new ATOM 0 HH11 ARG A 56 -10.558 -0.501 -0.359 1.00 20.44 H new ATOM 0 HH12 ARG A 56 -11.761 -1.663 0.211 1.00 20.44 H new ATOM 0 HH21 ARG A 56 -9.955 -4.431 -0.773 1.00 71.51 H new ATOM 0 HH22 ARG A 56 -11.429 -3.819 -0.016 1.00 71.51 H new ATOM 884 N ALA A 57 -5.302 -2.986 1.597 1.00 63.53 N ATOM 885 CA ALA A 57 -5.679 -3.373 2.970 1.00 12.14 C ATOM 886 C ALA A 57 -4.580 -3.032 4.011 1.00 60.41 C ATOM 887 O ALA A 57 -4.886 -2.509 5.086 1.00 52.32 O ATOM 888 CB ALA A 57 -6.008 -4.872 3.010 1.00 24.33 C ATOM 0 H ALA A 57 -5.256 -3.775 0.952 1.00 63.53 H new ATOM 0 HA ALA A 57 -6.560 -2.792 3.244 1.00 12.14 H new ATOM 0 HB1 ALA A 57 -6.286 -5.156 4.025 1.00 24.33 H new ATOM 0 HB2 ALA A 57 -6.837 -5.081 2.334 1.00 24.33 H new ATOM 0 HB3 ALA A 57 -5.134 -5.445 2.699 1.00 24.33 H new ATOM 894 N VAL A 58 -3.301 -3.352 3.690 1.00 73.41 N ATOM 895 CA VAL A 58 -2.149 -3.120 4.611 1.00 31.33 C ATOM 896 C VAL A 58 -1.845 -1.608 4.745 1.00 75.43 C ATOM 897 O VAL A 58 -1.407 -1.134 5.797 1.00 34.41 O ATOM 898 CB VAL A 58 -0.860 -3.937 4.170 1.00 71.41 C ATOM 899 CG1 VAL A 58 0.304 -3.805 5.195 1.00 42.11 C ATOM 900 CG2 VAL A 58 -1.201 -5.434 3.957 1.00 34.54 C ATOM 0 H VAL A 58 -3.037 -3.773 2.799 1.00 73.41 H new ATOM 0 HA VAL A 58 -2.436 -3.493 5.594 1.00 31.33 H new ATOM 0 HB VAL A 58 -0.525 -3.504 3.227 1.00 71.41 H new ATOM 0 HG11 VAL A 58 1.162 -4.381 4.848 1.00 42.11 H new ATOM 0 HG12 VAL A 58 0.587 -2.757 5.292 1.00 42.11 H new ATOM 0 HG13 VAL A 58 -0.020 -4.184 6.164 1.00 42.11 H new ATOM 0 HG21 VAL A 58 -0.303 -5.973 3.656 1.00 34.54 H new ATOM 0 HG22 VAL A 58 -1.582 -5.856 4.887 1.00 34.54 H new ATOM 0 HG23 VAL A 58 -1.958 -5.527 3.179 1.00 34.54 H new ATOM 910 N ALA A 59 -2.102 -0.855 3.663 1.00 31.33 N ATOM 911 CA ALA A 59 -2.045 0.624 3.678 1.00 24.23 C ATOM 912 C ALA A 59 -3.226 1.237 4.480 1.00 51.12 C ATOM 913 O ALA A 59 -3.078 2.270 5.123 1.00 4.34 O ATOM 914 CB ALA A 59 -2.013 1.157 2.243 1.00 63.30 C ATOM 0 H ALA A 59 -2.354 -1.247 2.756 1.00 31.33 H new ATOM 0 HA ALA A 59 -1.129 0.926 4.186 1.00 24.23 H new ATOM 0 HB1 ALA A 59 -1.971 2.246 2.260 1.00 63.30 H new ATOM 0 HB2 ALA A 59 -1.133 0.768 1.730 1.00 63.30 H new ATOM 0 HB3 ALA A 59 -2.912 0.837 1.716 1.00 63.30 H new ATOM 920 N LEU A 60 -4.395 0.578 4.437 1.00 4.34 N ATOM 921 CA LEU A 60 -5.605 0.994 5.193 1.00 71.21 C ATOM 922 C LEU A 60 -5.640 0.408 6.626 1.00 2.22 C ATOM 923 O LEU A 60 -6.589 0.669 7.373 1.00 11.32 O ATOM 924 CB LEU A 60 -6.890 0.599 4.410 1.00 44.12 C ATOM 925 CG LEU A 60 -7.116 1.360 3.065 1.00 42.24 C ATOM 926 CD1 LEU A 60 -8.381 0.856 2.333 1.00 54.13 C ATOM 927 CD2 LEU A 60 -7.166 2.885 3.298 1.00 1.02 C ATOM 0 H LEU A 60 -4.536 -0.263 3.877 1.00 4.34 H new ATOM 0 HA LEU A 60 -5.564 2.078 5.296 1.00 71.21 H new ATOM 0 HB2 LEU A 60 -6.853 -0.470 4.201 1.00 44.12 H new ATOM 0 HB3 LEU A 60 -7.753 0.769 5.053 1.00 44.12 H new ATOM 0 HG LEU A 60 -6.266 1.150 2.416 1.00 42.24 H new ATOM 0 HD11 LEU A 60 -8.507 1.408 1.402 1.00 54.13 H new ATOM 0 HD12 LEU A 60 -8.276 -0.207 2.114 1.00 54.13 H new ATOM 0 HD13 LEU A 60 -9.254 1.011 2.967 1.00 54.13 H new ATOM 0 HD21 LEU A 60 -7.324 3.393 2.347 1.00 1.02 H new ATOM 0 HD22 LEU A 60 -7.985 3.123 3.977 1.00 1.02 H new ATOM 0 HD23 LEU A 60 -6.224 3.217 3.735 1.00 1.02 H new ATOM 939 N SER A 61 -4.636 -0.422 6.992 1.00 2.22 N ATOM 940 CA SER A 61 -4.552 -1.005 8.358 1.00 20.12 C ATOM 941 C SER A 61 -4.373 0.105 9.417 1.00 2.12 C ATOM 942 O SER A 61 -3.639 1.082 9.189 1.00 51.14 O ATOM 943 CB SER A 61 -3.389 -2.028 8.487 1.00 50.41 C ATOM 944 OG SER A 61 -2.117 -1.397 8.554 1.00 74.11 O ATOM 0 H SER A 61 -3.878 -0.703 6.370 1.00 2.22 H new ATOM 0 HA SER A 61 -5.491 -1.531 8.532 1.00 20.12 H new ATOM 0 HB2 SER A 61 -3.539 -2.633 9.381 1.00 50.41 H new ATOM 0 HB3 SER A 61 -3.410 -2.707 7.635 1.00 50.41 H new ATOM 0 HG SER A 61 -1.773 -1.257 7.647 1.00 74.11 H new ATOM 950 N GLU A 62 -5.039 -0.066 10.572 1.00 53.45 N ATOM 951 CA GLU A 62 -4.948 0.872 11.713 1.00 1.42 C ATOM 952 C GLU A 62 -3.506 0.926 12.281 1.00 62.32 C ATOM 953 O GLU A 62 -3.095 1.933 12.835 1.00 23.31 O ATOM 954 CB GLU A 62 -5.952 0.453 12.823 1.00 70.04 C ATOM 955 CG GLU A 62 -5.698 -0.952 13.421 1.00 0.12 C ATOM 956 CD GLU A 62 -6.735 -1.356 14.480 1.00 51.22 C ATOM 957 OE1 GLU A 62 -6.602 -0.929 15.647 1.00 72.23 O ATOM 958 OE2 GLU A 62 -7.695 -2.091 14.150 1.00 0.04 O ATOM 0 H GLU A 62 -5.657 -0.859 10.745 1.00 53.45 H new ATOM 0 HA GLU A 62 -5.204 1.870 11.357 1.00 1.42 H new ATOM 0 HB2 GLU A 62 -5.913 1.188 13.627 1.00 70.04 H new ATOM 0 HB3 GLU A 62 -6.961 0.482 12.412 1.00 70.04 H new ATOM 0 HG2 GLU A 62 -5.703 -1.688 12.617 1.00 0.12 H new ATOM 0 HG3 GLU A 62 -4.704 -0.975 13.868 1.00 0.12 H new ATOM 965 N LEU A 63 -2.763 -0.186 12.110 1.00 75.51 N ATOM 966 CA LEU A 63 -1.358 -0.330 12.551 1.00 21.10 C ATOM 967 C LEU A 63 -0.411 0.624 11.783 1.00 54.33 C ATOM 968 O LEU A 63 0.397 1.324 12.394 1.00 50.35 O ATOM 969 CB LEU A 63 -0.927 -1.803 12.351 1.00 51.31 C ATOM 970 CG LEU A 63 -1.781 -2.855 13.133 1.00 50.23 C ATOM 971 CD1 LEU A 63 -1.502 -4.280 12.629 1.00 1.20 C ATOM 972 CD2 LEU A 63 -1.563 -2.736 14.664 1.00 0.33 C ATOM 0 H LEU A 63 -3.127 -1.023 11.655 1.00 75.51 H new ATOM 0 HA LEU A 63 -1.290 -0.058 13.604 1.00 21.10 H new ATOM 0 HB2 LEU A 63 -0.974 -2.038 11.288 1.00 51.31 H new ATOM 0 HB3 LEU A 63 0.115 -1.905 12.655 1.00 51.31 H new ATOM 0 HG LEU A 63 -2.832 -2.640 12.940 1.00 50.23 H new ATOM 0 HD11 LEU A 63 -2.109 -4.990 13.190 1.00 1.20 H new ATOM 0 HD12 LEU A 63 -1.752 -4.347 11.570 1.00 1.20 H new ATOM 0 HD13 LEU A 63 -0.447 -4.515 12.769 1.00 1.20 H new ATOM 0 HD21 LEU A 63 -2.171 -3.481 15.177 1.00 0.33 H new ATOM 0 HD22 LEU A 63 -0.511 -2.904 14.896 1.00 0.33 H new ATOM 0 HD23 LEU A 63 -1.853 -1.739 14.996 1.00 0.33 H new ATOM 984 N TYR A 64 -0.541 0.660 10.438 1.00 34.12 N ATOM 985 CA TYR A 64 0.283 1.545 9.578 1.00 52.32 C ATOM 986 C TYR A 64 -0.094 3.032 9.802 1.00 14.40 C ATOM 987 O TYR A 64 0.787 3.888 9.964 1.00 72.32 O ATOM 988 CB TYR A 64 0.134 1.149 8.076 1.00 71.51 C ATOM 989 CG TYR A 64 0.788 2.131 7.077 1.00 31.31 C ATOM 990 CD1 TYR A 64 2.137 2.475 7.180 1.00 55.11 C ATOM 991 CD2 TYR A 64 0.048 2.739 6.056 1.00 23.24 C ATOM 992 CE1 TYR A 64 2.717 3.381 6.311 1.00 12.11 C ATOM 993 CE2 TYR A 64 0.627 3.644 5.186 1.00 22.02 C ATOM 994 CZ TYR A 64 1.960 3.962 5.317 1.00 13.14 C ATOM 995 OH TYR A 64 2.541 4.873 4.451 1.00 73.41 O ATOM 0 H TYR A 64 -1.209 0.087 9.922 1.00 34.12 H new ATOM 0 HA TYR A 64 1.329 1.418 9.857 1.00 52.32 H new ATOM 0 HB2 TYR A 64 0.571 0.161 7.931 1.00 71.51 H new ATOM 0 HB3 TYR A 64 -0.927 1.066 7.840 1.00 71.51 H new ATOM 0 HD1 TYR A 64 2.740 2.024 7.954 1.00 55.11 H new ATOM 0 HD2 TYR A 64 -0.998 2.496 5.946 1.00 23.24 H new ATOM 0 HE1 TYR A 64 3.762 3.633 6.411 1.00 12.11 H new ATOM 0 HE2 TYR A 64 0.035 4.100 4.406 1.00 22.02 H new ATOM 0 HH TYR A 64 3.483 4.641 4.316 1.00 73.41 H new ATOM 1005 N ARG A 65 -1.406 3.314 9.820 1.00 41.24 N ATOM 1006 CA ARG A 65 -1.929 4.684 10.010 1.00 44.24 C ATOM 1007 C ARG A 65 -1.506 5.277 11.379 1.00 60.22 C ATOM 1008 O ARG A 65 -0.925 6.350 11.429 1.00 10.43 O ATOM 1009 CB ARG A 65 -3.473 4.702 9.887 1.00 14.23 C ATOM 1010 CG ARG A 65 -4.103 6.118 9.991 1.00 42.20 C ATOM 1011 CD ARG A 65 -5.636 6.078 10.082 1.00 20.11 C ATOM 1012 NE ARG A 65 -6.093 5.327 11.268 1.00 35.11 N ATOM 1013 CZ ARG A 65 -7.286 4.799 11.431 1.00 50.22 C ATOM 1014 NH1 ARG A 65 -8.203 4.900 10.523 1.00 74.13 N ATOM 1015 NH2 ARG A 65 -7.549 4.174 12.522 1.00 52.44 N ATOM 0 H ARG A 65 -2.133 2.608 9.705 1.00 41.24 H new ATOM 0 HA ARG A 65 -1.498 5.304 9.224 1.00 44.24 H new ATOM 0 HB2 ARG A 65 -3.755 4.260 8.931 1.00 14.23 H new ATOM 0 HB3 ARG A 65 -3.896 4.070 10.668 1.00 14.23 H new ATOM 0 HG2 ARG A 65 -3.704 6.625 10.869 1.00 42.20 H new ATOM 0 HG3 ARG A 65 -3.810 6.707 9.122 1.00 42.20 H new ATOM 0 HD2 ARG A 65 -6.025 7.095 10.123 1.00 20.11 H new ATOM 0 HD3 ARG A 65 -6.042 5.618 9.181 1.00 20.11 H new ATOM 0 HE ARG A 65 -5.424 5.207 12.028 1.00 35.11 H new ATOM 0 HH11 ARG A 65 -8.008 5.399 9.655 1.00 74.13 H new ATOM 0 HH12 ARG A 65 -9.120 4.481 10.676 1.00 74.13 H new ATOM 0 HH21 ARG A 65 -6.837 4.093 13.248 1.00 52.44 H new ATOM 0 HH22 ARG A 65 -8.470 3.759 12.663 1.00 52.44 H new ATOM 1029 N GLU A 66 -1.778 4.545 12.472 1.00 70.35 N ATOM 1030 CA GLU A 66 -1.551 5.038 13.860 1.00 13.33 C ATOM 1031 C GLU A 66 -0.049 5.340 14.116 1.00 32.24 C ATOM 1032 O GLU A 66 0.299 6.438 14.560 1.00 31.12 O ATOM 1033 CB GLU A 66 -2.102 3.993 14.884 1.00 20.34 C ATOM 1034 CG GLU A 66 -2.387 4.498 16.327 1.00 50.43 C ATOM 1035 CD GLU A 66 -1.137 4.797 17.172 1.00 52.14 C ATOM 1036 OE1 GLU A 66 -0.434 3.841 17.556 1.00 33.12 O ATOM 1037 OE2 GLU A 66 -0.844 5.986 17.441 1.00 3.21 O ATOM 0 H GLU A 66 -2.159 3.600 12.430 1.00 70.35 H new ATOM 0 HA GLU A 66 -2.090 5.976 13.990 1.00 13.33 H new ATOM 0 HB2 GLU A 66 -3.027 3.580 14.481 1.00 20.34 H new ATOM 0 HB3 GLU A 66 -1.387 3.172 14.948 1.00 20.34 H new ATOM 0 HG2 GLU A 66 -2.990 5.404 16.266 1.00 50.43 H new ATOM 0 HG3 GLU A 66 -2.987 3.750 16.845 1.00 50.43 H new ATOM 1044 N LYS A 67 0.819 4.372 13.780 1.00 21.41 N ATOM 1045 CA LYS A 67 2.279 4.482 14.003 1.00 41.40 C ATOM 1046 C LYS A 67 2.919 5.641 13.199 1.00 75.10 C ATOM 1047 O LYS A 67 3.644 6.469 13.751 1.00 22.43 O ATOM 1048 CB LYS A 67 2.972 3.153 13.609 1.00 0.42 C ATOM 1049 CG LYS A 67 2.721 1.966 14.562 1.00 13.30 C ATOM 1050 CD LYS A 67 3.311 0.635 14.021 1.00 50.32 C ATOM 1051 CE LYS A 67 4.805 0.736 13.642 1.00 44.22 C ATOM 1052 NZ LYS A 67 5.663 1.131 14.791 1.00 3.40 N ATOM 0 H LYS A 67 0.535 3.493 13.348 1.00 21.41 H new ATOM 0 HA LYS A 67 2.423 4.693 15.063 1.00 41.40 H new ATOM 0 HB2 LYS A 67 2.638 2.872 12.610 1.00 0.42 H new ATOM 0 HB3 LYS A 67 4.046 3.327 13.549 1.00 0.42 H new ATOM 0 HG2 LYS A 67 3.161 2.186 15.535 1.00 13.30 H new ATOM 0 HG3 LYS A 67 1.648 1.848 14.716 1.00 13.30 H new ATOM 0 HD2 LYS A 67 3.187 -0.142 14.775 1.00 50.32 H new ATOM 0 HD3 LYS A 67 2.742 0.323 13.145 1.00 50.32 H new ATOM 0 HE2 LYS A 67 5.143 -0.225 13.255 1.00 44.22 H new ATOM 0 HE3 LYS A 67 4.924 1.463 12.838 1.00 44.22 H new ATOM 0 HZ1 LYS A 67 6.655 1.184 14.482 1.00 3.40 H new ATOM 0 HZ2 LYS A 67 5.361 2.061 15.146 1.00 3.40 H new ATOM 0 HZ3 LYS A 67 5.574 0.425 15.550 1.00 3.40 H new ATOM 1066 N PHE A 68 2.627 5.691 11.893 1.00 44.02 N ATOM 1067 CA PHE A 68 3.348 6.569 10.942 1.00 31.12 C ATOM 1068 C PHE A 68 2.654 7.934 10.722 1.00 30.14 C ATOM 1069 O PHE A 68 3.236 8.813 10.083 1.00 2.31 O ATOM 1070 CB PHE A 68 3.565 5.811 9.606 1.00 0.21 C ATOM 1071 CG PHE A 68 4.467 4.575 9.754 1.00 25.50 C ATOM 1072 CD1 PHE A 68 5.854 4.685 9.653 1.00 72.35 C ATOM 1073 CD2 PHE A 68 3.931 3.315 10.025 1.00 14.14 C ATOM 1074 CE1 PHE A 68 6.668 3.579 9.812 1.00 43.21 C ATOM 1075 CE2 PHE A 68 4.746 2.212 10.186 1.00 61.41 C ATOM 1076 CZ PHE A 68 6.114 2.345 10.081 1.00 34.30 C ATOM 0 H PHE A 68 1.891 5.132 11.461 1.00 44.02 H new ATOM 0 HA PHE A 68 4.316 6.811 11.382 1.00 31.12 H new ATOM 0 HB2 PHE A 68 2.598 5.502 9.209 1.00 0.21 H new ATOM 0 HB3 PHE A 68 4.007 6.491 8.877 1.00 0.21 H new ATOM 0 HD1 PHE A 68 6.298 5.648 9.448 1.00 72.35 H new ATOM 0 HD2 PHE A 68 2.860 3.201 10.110 1.00 14.14 H new ATOM 0 HE1 PHE A 68 7.740 3.681 9.725 1.00 43.21 H new ATOM 0 HE2 PHE A 68 4.312 1.245 10.394 1.00 61.41 H new ATOM 0 HZ PHE A 68 6.752 1.483 10.209 1.00 34.30 H new ATOM 1086 N PHE A 69 1.398 8.101 11.184 1.00 71.41 N ATOM 1087 CA PHE A 69 0.738 9.436 11.217 1.00 74.35 C ATOM 1088 C PHE A 69 0.954 10.168 12.569 1.00 72.15 C ATOM 1089 O PHE A 69 1.265 11.359 12.584 1.00 44.11 O ATOM 1090 CB PHE A 69 -0.778 9.323 10.902 1.00 33.40 C ATOM 1091 CG PHE A 69 -1.523 10.665 10.893 1.00 53.20 C ATOM 1092 CD1 PHE A 69 -1.374 11.558 9.833 1.00 71.13 C ATOM 1093 CD2 PHE A 69 -2.353 11.042 11.955 1.00 21.41 C ATOM 1094 CE1 PHE A 69 -2.027 12.777 9.836 1.00 51.45 C ATOM 1095 CE2 PHE A 69 -3.010 12.260 11.952 1.00 53.50 C ATOM 1096 CZ PHE A 69 -2.844 13.127 10.891 1.00 31.21 C ATOM 0 H PHE A 69 0.819 7.340 11.538 1.00 71.41 H new ATOM 0 HA PHE A 69 1.213 10.035 10.440 1.00 74.35 H new ATOM 0 HB2 PHE A 69 -0.901 8.846 9.929 1.00 33.40 H new ATOM 0 HB3 PHE A 69 -1.242 8.668 11.639 1.00 33.40 H new ATOM 0 HD1 PHE A 69 -0.741 11.295 8.999 1.00 71.13 H new ATOM 0 HD2 PHE A 69 -2.483 10.371 12.791 1.00 21.41 H new ATOM 0 HE1 PHE A 69 -1.897 13.458 9.008 1.00 51.45 H new ATOM 0 HE2 PHE A 69 -3.651 12.531 12.778 1.00 53.50 H new ATOM 0 HZ PHE A 69 -3.354 14.079 10.887 1.00 31.21 H new ATOM 1106 N HIS A 70 0.775 9.456 13.707 1.00 51.02 N ATOM 1107 CA HIS A 70 0.759 10.106 15.055 1.00 60.35 C ATOM 1108 C HIS A 70 2.174 10.321 15.635 1.00 70.43 C ATOM 1109 O HIS A 70 2.426 11.331 16.297 1.00 52.21 O ATOM 1110 CB HIS A 70 -0.108 9.302 16.050 1.00 54.40 C ATOM 1111 CG HIS A 70 -1.567 9.244 15.686 1.00 42.14 C ATOM 1112 ND1 HIS A 70 -2.400 8.194 15.510 1.00 12.44 N flip ATOM 1113 CD2 HIS A 70 -2.337 10.367 15.479 1.00 64.31 C flip ATOM 1114 CE1 HIS A 70 -3.634 8.698 15.206 1.00 50.12 C flip ATOM 1115 NE2 HIS A 70 -3.569 10.005 15.193 1.00 14.21 N flip ATOM 0 H HIS A 70 0.641 8.445 13.728 1.00 51.02 H new ATOM 0 HA HIS A 70 0.317 11.092 14.911 1.00 60.35 H new ATOM 0 HB2 HIS A 70 0.280 8.285 16.114 1.00 54.40 H new ATOM 0 HB3 HIS A 70 -0.009 9.744 17.041 1.00 54.40 H new ATOM 0 HD2 HIS A 70 -1.984 11.386 15.542 1.00 64.31 H new ATOM 0 HE1 HIS A 70 -4.519 8.112 15.008 1.00 50.12 H new ATOM 0 HE2 HIS A 70 -4.344 10.637 14.994 1.00 14.21 H new ATOM 1124 N ASN A 71 3.101 9.381 15.372 1.00 13.52 N ATOM 1125 CA ASN A 71 4.515 9.493 15.832 1.00 1.42 C ATOM 1126 C ASN A 71 5.380 10.264 14.778 1.00 31.04 C ATOM 1127 O ASN A 71 6.616 10.279 14.844 1.00 11.11 O ATOM 1128 CB ASN A 71 5.079 8.059 16.102 1.00 10.12 C ATOM 1129 CG ASN A 71 6.241 8.003 17.103 1.00 14.03 C ATOM 1130 OD1 ASN A 71 6.395 6.878 17.771 1.00 45.14 O flip ATOM 1131 ND2 ASN A 71 7.004 8.945 17.273 1.00 32.12 N flip ATOM 0 H ASN A 71 2.905 8.531 14.843 1.00 13.52 H new ATOM 0 HA ASN A 71 4.556 10.065 16.759 1.00 1.42 H new ATOM 0 HB2 ASN A 71 4.270 7.429 16.471 1.00 10.12 H new ATOM 0 HB3 ASN A 71 5.411 7.630 15.156 1.00 10.12 H new ATOM 0 HD21 ASN A 71 6.872 9.810 16.748 1.00 32.12 H new ATOM 0 HD22 ASN A 71 7.772 8.865 17.939 1.00 32.12 H new ATOM 1138 N ASN A 72 4.703 10.927 13.818 1.00 22.44 N ATOM 1139 CA ASN A 72 5.345 11.555 12.643 1.00 43.31 C ATOM 1140 C ASN A 72 4.580 12.827 12.186 1.00 11.32 C ATOM 1141 O ASN A 72 3.400 12.995 12.493 1.00 61.22 O ATOM 1142 CB ASN A 72 5.402 10.503 11.511 1.00 34.51 C ATOM 1143 CG ASN A 72 6.157 10.942 10.262 1.00 63.20 C ATOM 1144 OD1 ASN A 72 7.135 11.676 10.338 1.00 20.45 O ATOM 1145 ND2 ASN A 72 5.694 10.520 9.105 1.00 14.02 N ATOM 0 H ASN A 72 3.690 11.043 13.836 1.00 22.44 H new ATOM 0 HA ASN A 72 6.352 11.879 12.905 1.00 43.31 H new ATOM 0 HB2 ASN A 72 5.868 9.598 11.900 1.00 34.51 H new ATOM 0 HB3 ASN A 72 4.383 10.240 11.228 1.00 34.51 H new ATOM 0 HD21 ASN A 72 6.152 10.803 8.239 1.00 14.02 H new ATOM 0 HD22 ASN A 72 4.878 9.909 9.074 1.00 14.02 H new ATOM 1152 N ALA A 73 5.280 13.733 11.472 1.00 62.54 N ATOM 1153 CA ALA A 73 4.648 14.891 10.794 1.00 72.42 C ATOM 1154 C ALA A 73 3.839 14.418 9.558 1.00 11.30 C ATOM 1155 O ALA A 73 4.293 13.529 8.831 1.00 60.32 O ATOM 1156 CB ALA A 73 5.717 15.916 10.386 1.00 72.30 C ATOM 0 H ALA A 73 6.291 13.686 11.348 1.00 62.54 H new ATOM 0 HA ALA A 73 3.959 15.371 11.489 1.00 72.42 H new ATOM 0 HB1 ALA A 73 5.240 16.761 9.889 1.00 72.30 H new ATOM 0 HB2 ALA A 73 6.243 16.267 11.274 1.00 72.30 H new ATOM 0 HB3 ALA A 73 6.428 15.449 9.705 1.00 72.30 H new ATOM 1162 N HIS A 74 2.638 15.005 9.336 1.00 21.00 N ATOM 1163 CA HIS A 74 1.740 14.617 8.214 1.00 31.14 C ATOM 1164 C HIS A 74 2.430 14.743 6.822 1.00 15.45 C ATOM 1165 O HIS A 74 2.283 13.853 5.988 1.00 34.11 O ATOM 1166 CB HIS A 74 0.433 15.451 8.253 1.00 0.51 C ATOM 1167 CG HIS A 74 -0.526 15.188 7.102 1.00 33.41 C ATOM 1168 ND1 HIS A 74 -1.060 16.218 6.366 1.00 24.31 N ATOM 1169 CD2 HIS A 74 -0.995 14.009 6.600 1.00 63.12 C ATOM 1170 CE1 HIS A 74 -1.825 15.657 5.454 1.00 44.45 C ATOM 1171 NE2 HIS A 74 -1.817 14.323 5.553 1.00 24.54 N ATOM 0 H HIS A 74 2.265 15.753 9.921 1.00 21.00 H new ATOM 0 HA HIS A 74 1.496 13.563 8.351 1.00 31.14 H new ATOM 0 HB2 HIS A 74 -0.083 15.248 9.191 1.00 0.51 H new ATOM 0 HB3 HIS A 74 0.694 16.509 8.256 1.00 0.51 H new ATOM 0 HD2 HIS A 74 -0.762 13.018 6.960 1.00 63.12 H new ATOM 0 HE1 HIS A 74 -2.390 16.206 4.716 1.00 44.45 H new ATOM 0 HE2 HIS A 74 -2.326 13.666 4.961 1.00 24.54 H new ATOM 1179 N ASN A 75 3.190 15.834 6.591 1.00 23.35 N ATOM 1180 CA ASN A 75 3.936 16.037 5.312 1.00 3.51 C ATOM 1181 C ASN A 75 5.027 14.955 5.092 1.00 4.11 C ATOM 1182 O ASN A 75 5.282 14.536 3.956 1.00 20.10 O ATOM 1183 CB ASN A 75 4.564 17.449 5.245 1.00 32.12 C ATOM 1184 CG ASN A 75 3.516 18.559 5.225 1.00 75.02 C ATOM 1185 OD1 ASN A 75 3.164 19.124 6.254 1.00 1.31 O ATOM 1186 ND2 ASN A 75 2.991 18.867 4.058 1.00 14.51 N ATOM 0 H ASN A 75 3.309 16.590 7.265 1.00 23.35 H new ATOM 0 HA ASN A 75 3.206 15.941 4.509 1.00 3.51 H new ATOM 0 HB2 ASN A 75 5.221 17.591 6.103 1.00 32.12 H new ATOM 0 HB3 ASN A 75 5.184 17.524 4.352 1.00 32.12 H new ATOM 0 HD21 ASN A 75 2.274 19.590 3.996 1.00 14.51 H new ATOM 0 HD22 ASN A 75 3.301 18.382 3.216 1.00 14.51 H new ATOM 1193 N ARG A 76 5.653 14.508 6.194 1.00 52.31 N ATOM 1194 CA ARG A 76 6.630 13.399 6.167 1.00 15.00 C ATOM 1195 C ARG A 76 5.915 12.035 5.968 1.00 34.14 C ATOM 1196 O ARG A 76 6.477 11.113 5.379 1.00 64.32 O ATOM 1197 CB ARG A 76 7.476 13.403 7.468 1.00 64.14 C ATOM 1198 CG ARG A 76 8.596 12.334 7.529 1.00 33.14 C ATOM 1199 CD ARG A 76 9.596 12.443 6.367 1.00 14.11 C ATOM 1200 NE ARG A 76 10.711 11.493 6.510 1.00 63.23 N ATOM 1201 CZ ARG A 76 11.761 11.423 5.728 1.00 72.14 C ATOM 1202 NH1 ARG A 76 11.892 12.204 4.705 1.00 12.11 N ATOM 1203 NH2 ARG A 76 12.690 10.570 5.996 1.00 43.34 N ATOM 0 H ARG A 76 5.500 14.900 7.123 1.00 52.31 H new ATOM 0 HA ARG A 76 7.300 13.545 5.320 1.00 15.00 H new ATOM 0 HB2 ARG A 76 7.929 14.388 7.585 1.00 64.14 H new ATOM 0 HB3 ARG A 76 6.809 13.256 8.317 1.00 64.14 H new ATOM 0 HG2 ARG A 76 9.132 12.432 8.473 1.00 33.14 H new ATOM 0 HG3 ARG A 76 8.144 11.342 7.520 1.00 33.14 H new ATOM 0 HD2 ARG A 76 9.080 12.257 5.425 1.00 14.11 H new ATOM 0 HD3 ARG A 76 9.989 13.459 6.320 1.00 14.11 H new ATOM 0 HE ARG A 76 10.663 10.832 7.285 1.00 63.23 H new ATOM 0 HH11 ARG A 76 11.170 12.892 4.493 1.00 12.11 H new ATOM 0 HH12 ARG A 76 12.718 12.132 4.110 1.00 12.11 H new ATOM 0 HH21 ARG A 76 12.603 9.960 6.809 1.00 43.34 H new ATOM 0 HH22 ARG A 76 13.512 10.506 5.395 1.00 43.34 H new ATOM 1217 N PHE A 77 4.668 11.926 6.466 1.00 31.01 N ATOM 1218 CA PHE A 77 3.804 10.739 6.257 1.00 54.40 C ATOM 1219 C PHE A 77 3.336 10.645 4.779 1.00 1.43 C ATOM 1220 O PHE A 77 3.105 9.551 4.263 1.00 65.13 O ATOM 1221 CB PHE A 77 2.594 10.785 7.232 1.00 41.24 C ATOM 1222 CG PHE A 77 1.593 9.635 7.074 1.00 32.42 C ATOM 1223 CD1 PHE A 77 2.002 8.308 7.230 1.00 0.15 C ATOM 1224 CD2 PHE A 77 0.256 9.877 6.754 1.00 42.23 C ATOM 1225 CE1 PHE A 77 1.108 7.267 7.079 1.00 2.02 C ATOM 1226 CE2 PHE A 77 -0.634 8.833 6.601 1.00 4.01 C ATOM 1227 CZ PHE A 77 -0.205 7.528 6.765 1.00 73.20 C ATOM 0 H PHE A 77 4.228 12.657 7.025 1.00 31.01 H new ATOM 0 HA PHE A 77 4.384 9.841 6.471 1.00 54.40 H new ATOM 0 HB2 PHE A 77 2.970 10.782 8.255 1.00 41.24 H new ATOM 0 HB3 PHE A 77 2.067 11.728 7.089 1.00 41.24 H new ATOM 0 HD1 PHE A 77 3.032 8.094 7.472 1.00 0.15 H new ATOM 0 HD2 PHE A 77 -0.086 10.893 6.625 1.00 42.23 H new ATOM 0 HE1 PHE A 77 1.440 6.247 7.208 1.00 2.02 H new ATOM 0 HE2 PHE A 77 -1.666 9.035 6.353 1.00 4.01 H new ATOM 0 HZ PHE A 77 -0.903 6.712 6.646 1.00 73.20 H new ATOM 1237 N ILE A 78 3.204 11.811 4.120 1.00 62.42 N ATOM 1238 CA ILE A 78 2.948 11.896 2.664 1.00 32.14 C ATOM 1239 C ILE A 78 4.159 11.350 1.872 1.00 13.21 C ATOM 1240 O ILE A 78 3.984 10.621 0.890 1.00 33.30 O ATOM 1241 CB ILE A 78 2.627 13.374 2.232 1.00 51.41 C ATOM 1242 CG1 ILE A 78 1.323 13.874 2.940 1.00 4.51 C ATOM 1243 CG2 ILE A 78 2.521 13.518 0.690 1.00 75.24 C ATOM 1244 CD1 ILE A 78 1.060 15.361 2.814 1.00 55.41 C ATOM 0 H ILE A 78 3.271 12.720 4.577 1.00 62.42 H new ATOM 0 HA ILE A 78 2.076 11.282 2.436 1.00 32.14 H new ATOM 0 HB ILE A 78 3.458 14.003 2.550 1.00 51.41 H new ATOM 0 HG12 ILE A 78 0.472 13.333 2.527 1.00 4.51 H new ATOM 0 HG13 ILE A 78 1.380 13.618 3.998 1.00 4.51 H new ATOM 0 HG21 ILE A 78 2.298 14.554 0.436 1.00 75.24 H new ATOM 0 HG22 ILE A 78 3.466 13.227 0.232 1.00 75.24 H new ATOM 0 HG23 ILE A 78 1.724 12.874 0.318 1.00 75.24 H new ATOM 0 HD11 ILE A 78 0.136 15.613 3.335 1.00 55.41 H new ATOM 0 HD12 ILE A 78 1.888 15.916 3.255 1.00 55.41 H new ATOM 0 HD13 ILE A 78 0.966 15.626 1.761 1.00 55.41 H new ATOM 1256 N GLU A 79 5.389 11.697 2.319 1.00 51.15 N ATOM 1257 CA GLU A 79 6.620 11.070 1.789 1.00 62.14 C ATOM 1258 C GLU A 79 6.565 9.539 1.935 1.00 43.15 C ATOM 1259 O GLU A 79 6.792 8.808 0.961 1.00 13.32 O ATOM 1260 CB GLU A 79 7.910 11.606 2.467 1.00 11.42 C ATOM 1261 CG GLU A 79 8.358 13.011 2.014 1.00 61.04 C ATOM 1262 CD GLU A 79 9.829 13.283 2.364 1.00 24.11 C ATOM 1263 OE1 GLU A 79 10.715 12.619 1.769 1.00 71.43 O ATOM 1264 OE2 GLU A 79 10.112 14.106 3.257 1.00 51.45 O ATOM 0 H GLU A 79 5.553 12.401 3.038 1.00 51.15 H new ATOM 0 HA GLU A 79 6.664 11.338 0.733 1.00 62.14 H new ATOM 0 HB2 GLU A 79 7.754 11.623 3.546 1.00 11.42 H new ATOM 0 HB3 GLU A 79 8.721 10.904 2.273 1.00 11.42 H new ATOM 0 HG2 GLU A 79 8.217 13.108 0.937 1.00 61.04 H new ATOM 0 HG3 GLU A 79 7.727 13.763 2.487 1.00 61.04 H new ATOM 1271 N LEU A 80 6.236 9.084 3.159 1.00 64.20 N ATOM 1272 CA LEU A 80 6.111 7.653 3.488 1.00 4.13 C ATOM 1273 C LEU A 80 5.095 6.950 2.563 1.00 60.54 C ATOM 1274 O LEU A 80 5.367 5.872 2.074 1.00 74.42 O ATOM 1275 CB LEU A 80 5.710 7.462 4.976 1.00 44.34 C ATOM 1276 CG LEU A 80 6.750 7.954 6.033 1.00 23.24 C ATOM 1277 CD1 LEU A 80 6.237 7.733 7.471 1.00 3.15 C ATOM 1278 CD2 LEU A 80 8.136 7.296 5.819 1.00 53.44 C ATOM 0 H LEU A 80 6.049 9.701 3.949 1.00 64.20 H new ATOM 0 HA LEU A 80 7.086 7.193 3.329 1.00 4.13 H new ATOM 0 HB2 LEU A 80 4.770 7.986 5.149 1.00 44.34 H new ATOM 0 HB3 LEU A 80 5.520 6.402 5.148 1.00 44.34 H new ATOM 0 HG LEU A 80 6.876 9.027 5.890 1.00 23.24 H new ATOM 0 HD11 LEU A 80 6.984 8.086 8.182 1.00 3.15 H new ATOM 0 HD12 LEU A 80 5.309 8.286 7.615 1.00 3.15 H new ATOM 0 HD13 LEU A 80 6.055 6.671 7.633 1.00 3.15 H new ATOM 0 HD21 LEU A 80 8.833 7.662 6.573 1.00 53.44 H new ATOM 0 HD22 LEU A 80 8.042 6.214 5.907 1.00 53.44 H new ATOM 0 HD23 LEU A 80 8.509 7.548 4.826 1.00 53.44 H new ATOM 1290 N ASN A 81 3.968 7.618 2.289 1.00 71.30 N ATOM 1291 CA ASN A 81 2.878 7.081 1.444 1.00 32.20 C ATOM 1292 C ASN A 81 3.375 6.730 0.003 1.00 15.12 C ATOM 1293 O ASN A 81 3.064 5.662 -0.527 1.00 14.42 O ATOM 1294 CB ASN A 81 1.723 8.120 1.401 1.00 22.51 C ATOM 1295 CG ASN A 81 0.404 7.575 0.854 1.00 54.53 C ATOM 1296 OD1 ASN A 81 0.118 6.393 0.958 1.00 32.21 O ATOM 1297 ND2 ASN A 81 -0.428 8.438 0.311 1.00 33.23 N ATOM 0 H ASN A 81 3.779 8.554 2.647 1.00 71.30 H new ATOM 0 HA ASN A 81 2.519 6.149 1.881 1.00 32.20 H new ATOM 0 HB2 ASN A 81 1.555 8.500 2.409 1.00 22.51 H new ATOM 0 HB3 ASN A 81 2.034 8.966 0.789 1.00 22.51 H new ATOM 0 HD21 ASN A 81 -1.335 8.124 -0.034 1.00 33.23 H new ATOM 0 HD22 ASN A 81 -0.166 9.421 0.235 1.00 33.23 H new ATOM 1304 N PHE A 82 4.179 7.634 -0.598 1.00 42.31 N ATOM 1305 CA PHE A 82 4.771 7.429 -1.952 1.00 54.11 C ATOM 1306 C PHE A 82 5.826 6.292 -1.968 1.00 40.22 C ATOM 1307 O PHE A 82 5.788 5.419 -2.832 1.00 31.03 O ATOM 1308 CB PHE A 82 5.435 8.734 -2.471 1.00 51.34 C ATOM 1309 CG PHE A 82 4.486 9.819 -2.979 1.00 20.32 C ATOM 1310 CD1 PHE A 82 3.535 10.398 -2.146 1.00 2.33 C ATOM 1311 CD2 PHE A 82 4.585 10.292 -4.288 1.00 74.13 C ATOM 1312 CE1 PHE A 82 2.716 11.408 -2.604 1.00 33.11 C ATOM 1313 CE2 PHE A 82 3.760 11.297 -4.747 1.00 12.34 C ATOM 1314 CZ PHE A 82 2.827 11.858 -3.903 1.00 20.41 C ATOM 0 H PHE A 82 4.439 8.522 -0.168 1.00 42.31 H new ATOM 0 HA PHE A 82 3.946 7.145 -2.606 1.00 54.11 H new ATOM 0 HB2 PHE A 82 6.037 9.155 -1.666 1.00 51.34 H new ATOM 0 HB3 PHE A 82 6.119 8.472 -3.278 1.00 51.34 H new ATOM 0 HD1 PHE A 82 3.437 10.052 -1.128 1.00 2.33 H new ATOM 0 HD2 PHE A 82 5.320 9.864 -4.953 1.00 74.13 H new ATOM 0 HE1 PHE A 82 1.984 11.849 -1.943 1.00 33.11 H new ATOM 0 HE2 PHE A 82 3.845 11.644 -5.766 1.00 12.34 H new ATOM 0 HZ PHE A 82 2.183 12.649 -4.258 1.00 20.41 H new ATOM 1324 N LYS A 83 6.793 6.344 -1.031 1.00 51.42 N ATOM 1325 CA LYS A 83 7.930 5.386 -0.993 1.00 21.24 C ATOM 1326 C LYS A 83 7.514 3.974 -0.511 1.00 43.02 C ATOM 1327 O LYS A 83 8.177 2.983 -0.820 1.00 22.51 O ATOM 1328 CB LYS A 83 9.115 5.970 -0.175 1.00 12.33 C ATOM 1329 CG LYS A 83 8.819 6.291 1.305 1.00 55.13 C ATOM 1330 CD LYS A 83 9.903 7.197 1.960 1.00 22.54 C ATOM 1331 CE LYS A 83 10.048 8.569 1.249 1.00 55.22 C ATOM 1332 NZ LYS A 83 10.921 9.514 1.992 1.00 44.02 N ATOM 0 H LYS A 83 6.814 7.040 -0.285 1.00 51.42 H new ATOM 0 HA LYS A 83 8.272 5.249 -2.019 1.00 21.24 H new ATOM 0 HB2 LYS A 83 9.942 5.262 -0.215 1.00 12.33 H new ATOM 0 HB3 LYS A 83 9.454 6.883 -0.664 1.00 12.33 H new ATOM 0 HG2 LYS A 83 7.849 6.784 1.377 1.00 55.13 H new ATOM 0 HG3 LYS A 83 8.745 5.359 1.865 1.00 55.13 H new ATOM 0 HD2 LYS A 83 9.649 7.360 3.007 1.00 22.54 H new ATOM 0 HD3 LYS A 83 10.862 6.680 1.941 1.00 22.54 H new ATOM 0 HE2 LYS A 83 10.456 8.414 0.250 1.00 55.22 H new ATOM 0 HE3 LYS A 83 9.061 9.015 1.125 1.00 55.22 H new ATOM 0 HZ1 LYS A 83 10.748 10.483 1.657 1.00 44.02 H new ATOM 0 HZ2 LYS A 83 10.709 9.456 3.009 1.00 44.02 H new ATOM 0 HZ3 LYS A 83 11.918 9.265 1.831 1.00 44.02 H new ATOM 1346 N HIS A 84 6.425 3.900 0.257 1.00 75.34 N ATOM 1347 CA HIS A 84 5.858 2.612 0.710 1.00 11.13 C ATOM 1348 C HIS A 84 4.986 1.930 -0.366 1.00 71.30 C ATOM 1349 O HIS A 84 4.976 0.710 -0.465 1.00 22.20 O ATOM 1350 CB HIS A 84 5.043 2.803 2.008 1.00 62.05 C ATOM 1351 CG HIS A 84 5.877 3.137 3.220 1.00 35.23 C ATOM 1352 ND1 HIS A 84 5.376 3.825 4.299 1.00 53.14 N ATOM 1353 CD2 HIS A 84 7.149 2.814 3.551 1.00 51.15 C ATOM 1354 CE1 HIS A 84 6.291 3.911 5.237 1.00 25.51 C ATOM 1355 NE2 HIS A 84 7.378 3.307 4.815 1.00 54.00 N ATOM 0 H HIS A 84 5.910 4.718 0.584 1.00 75.34 H new ATOM 0 HA HIS A 84 6.704 1.952 0.904 1.00 11.13 H new ATOM 0 HB2 HIS A 84 4.314 3.599 1.852 1.00 62.05 H new ATOM 0 HB3 HIS A 84 4.481 1.891 2.208 1.00 62.05 H new ATOM 0 HD2 HIS A 84 7.853 2.271 2.938 1.00 51.15 H new ATOM 0 HE1 HIS A 84 6.170 4.397 6.194 1.00 25.51 H new ATOM 0 HE2 HIS A 84 8.249 3.218 5.338 1.00 54.00 H new ATOM 1364 N LEU A 85 4.232 2.708 -1.154 1.00 51.31 N ATOM 1365 CA LEU A 85 3.276 2.129 -2.131 1.00 25.25 C ATOM 1366 C LEU A 85 3.837 2.068 -3.577 1.00 73.21 C ATOM 1367 O LEU A 85 3.511 1.153 -4.330 1.00 1.13 O ATOM 1368 CB LEU A 85 1.956 2.941 -2.069 1.00 51.43 C ATOM 1369 CG LEU A 85 1.186 2.880 -0.704 1.00 53.33 C ATOM 1370 CD1 LEU A 85 -0.088 3.751 -0.739 1.00 3.35 C ATOM 1371 CD2 LEU A 85 0.855 1.421 -0.308 1.00 73.11 C ATOM 0 H LEU A 85 4.258 3.728 -1.142 1.00 51.31 H new ATOM 0 HA LEU A 85 3.093 1.091 -1.854 1.00 25.25 H new ATOM 0 HB2 LEU A 85 2.181 3.984 -2.292 1.00 51.43 H new ATOM 0 HB3 LEU A 85 1.293 2.583 -2.856 1.00 51.43 H new ATOM 0 HG LEU A 85 1.845 3.288 0.062 1.00 53.33 H new ATOM 0 HD11 LEU A 85 -0.599 3.687 0.222 1.00 3.35 H new ATOM 0 HD12 LEU A 85 0.185 4.788 -0.937 1.00 3.35 H new ATOM 0 HD13 LEU A 85 -0.751 3.394 -1.527 1.00 3.35 H new ATOM 0 HD21 LEU A 85 0.322 1.414 0.642 1.00 73.11 H new ATOM 0 HD22 LEU A 85 0.231 0.968 -1.078 1.00 73.11 H new ATOM 0 HD23 LEU A 85 1.780 0.852 -0.209 1.00 73.11 H new ATOM 1383 N LEU A 86 4.717 3.007 -3.940 1.00 55.12 N ATOM 1384 CA LEU A 86 5.309 3.098 -5.313 1.00 74.42 C ATOM 1385 C LEU A 86 6.853 3.042 -5.280 1.00 33.03 C ATOM 1386 O LEU A 86 7.492 2.864 -6.322 1.00 12.21 O ATOM 1387 CB LEU A 86 4.813 4.403 -6.013 1.00 72.41 C ATOM 1388 CG LEU A 86 3.309 4.397 -6.460 1.00 73.10 C ATOM 1389 CD1 LEU A 86 2.816 5.808 -6.840 1.00 24.14 C ATOM 1390 CD2 LEU A 86 3.079 3.394 -7.621 1.00 51.44 C ATOM 0 H LEU A 86 5.050 3.732 -3.304 1.00 55.12 H new ATOM 0 HA LEU A 86 4.974 2.234 -5.886 1.00 74.42 H new ATOM 0 HB2 LEU A 86 4.969 5.241 -5.334 1.00 72.41 H new ATOM 0 HB3 LEU A 86 5.434 4.583 -6.890 1.00 72.41 H new ATOM 0 HG LEU A 86 2.718 4.069 -5.605 1.00 73.10 H new ATOM 0 HD11 LEU A 86 1.770 5.759 -7.143 1.00 24.14 H new ATOM 0 HD12 LEU A 86 2.914 6.471 -5.981 1.00 24.14 H new ATOM 0 HD13 LEU A 86 3.415 6.193 -7.665 1.00 24.14 H new ATOM 0 HD21 LEU A 86 2.029 3.409 -7.912 1.00 51.44 H new ATOM 0 HD22 LEU A 86 3.696 3.677 -8.474 1.00 51.44 H new ATOM 0 HD23 LEU A 86 3.350 2.390 -7.294 1.00 51.44 H new ATOM 1402 N GLY A 87 7.442 3.209 -4.081 1.00 34.44 N ATOM 1403 CA GLY A 87 8.903 3.126 -3.901 1.00 14.42 C ATOM 1404 C GLY A 87 9.651 4.446 -4.127 1.00 13.20 C ATOM 1405 O GLY A 87 10.867 4.496 -3.930 1.00 15.55 O ATOM 0 H GLY A 87 6.927 3.402 -3.222 1.00 34.44 H new ATOM 0 HA2 GLY A 87 9.112 2.774 -2.891 1.00 14.42 H new ATOM 0 HA3 GLY A 87 9.298 2.378 -4.588 1.00 14.42 H new ATOM 1409 N ARG A 88 8.926 5.516 -4.524 1.00 43.23 N ATOM 1410 CA ARG A 88 9.533 6.813 -4.939 1.00 73.01 C ATOM 1411 C ARG A 88 9.382 7.919 -3.858 1.00 64.52 C ATOM 1412 O ARG A 88 8.525 7.841 -2.980 1.00 62.21 O ATOM 1413 CB ARG A 88 8.891 7.297 -6.269 1.00 42.34 C ATOM 1414 CG ARG A 88 7.414 7.746 -6.144 1.00 41.11 C ATOM 1415 CD ARG A 88 6.848 8.322 -7.452 1.00 41.23 C ATOM 1416 NE ARG A 88 5.513 8.907 -7.243 1.00 14.43 N ATOM 1417 CZ ARG A 88 4.487 8.773 -8.042 1.00 40.04 C ATOM 1418 NH1 ARG A 88 4.567 8.055 -9.112 1.00 0.44 N ATOM 1419 NH2 ARG A 88 3.373 9.348 -7.749 1.00 11.32 N ATOM 0 H ARG A 88 7.907 5.511 -4.568 1.00 43.23 H new ATOM 0 HA ARG A 88 10.600 6.635 -5.076 1.00 73.01 H new ATOM 0 HB2 ARG A 88 9.478 8.128 -6.660 1.00 42.34 H new ATOM 0 HB3 ARG A 88 8.952 6.492 -7.001 1.00 42.34 H new ATOM 0 HG2 ARG A 88 6.806 6.895 -5.835 1.00 41.11 H new ATOM 0 HG3 ARG A 88 7.334 8.497 -5.358 1.00 41.11 H new ATOM 0 HD2 ARG A 88 7.525 9.083 -7.840 1.00 41.23 H new ATOM 0 HD3 ARG A 88 6.789 7.535 -8.204 1.00 41.23 H new ATOM 0 HE ARG A 88 5.377 9.466 -6.401 1.00 14.43 H new ATOM 0 HH11 ARG A 88 5.440 7.582 -9.345 1.00 0.44 H new ATOM 0 HH12 ARG A 88 3.757 7.961 -9.725 1.00 0.44 H new ATOM 0 HH21 ARG A 88 3.295 9.904 -6.898 1.00 11.32 H new ATOM 0 HH22 ARG A 88 2.569 9.247 -8.368 1.00 11.32 H new ATOM 1433 N ALA A 89 10.223 8.960 -3.956 1.00 51.03 N ATOM 1434 CA ALA A 89 10.209 10.127 -3.039 1.00 51.02 C ATOM 1435 C ALA A 89 9.501 11.343 -3.701 1.00 31.14 C ATOM 1436 O ALA A 89 9.887 11.734 -4.812 1.00 61.32 O ATOM 1437 CB ALA A 89 11.647 10.491 -2.625 1.00 53.52 C ATOM 0 H ALA A 89 10.941 9.023 -4.678 1.00 51.03 H new ATOM 0 HA ALA A 89 9.646 9.859 -2.145 1.00 51.02 H new ATOM 0 HB1 ALA A 89 11.626 11.348 -1.952 1.00 53.52 H new ATOM 0 HB2 ALA A 89 12.105 9.642 -2.117 1.00 53.52 H new ATOM 0 HB3 ALA A 89 12.229 10.740 -3.512 1.00 53.52 H new ATOM 1443 N PRO A 90 8.432 11.944 -3.063 1.00 11.32 N ATOM 1444 CA PRO A 90 7.791 13.183 -3.577 1.00 12.12 C ATOM 1445 C PRO A 90 8.675 14.431 -3.299 1.00 41.33 C ATOM 1446 O PRO A 90 8.421 15.231 -2.387 1.00 54.51 O ATOM 1447 CB PRO A 90 6.442 13.229 -2.821 1.00 25.44 C ATOM 1448 CG PRO A 90 6.732 12.559 -1.516 1.00 63.21 C ATOM 1449 CD PRO A 90 7.790 11.494 -1.800 1.00 72.21 C ATOM 0 HA PRO A 90 7.654 13.184 -4.658 1.00 12.12 H new ATOM 0 HB2 PRO A 90 6.101 14.254 -2.676 1.00 25.44 H new ATOM 0 HB3 PRO A 90 5.659 12.708 -3.371 1.00 25.44 H new ATOM 0 HG2 PRO A 90 7.094 13.279 -0.782 1.00 63.21 H new ATOM 0 HG3 PRO A 90 5.830 12.109 -1.102 1.00 63.21 H new ATOM 0 HD2 PRO A 90 8.514 11.425 -0.988 1.00 72.21 H new ATOM 0 HD3 PRO A 90 7.341 10.507 -1.911 1.00 72.21 H new ATOM 1457 N TYR A 91 9.742 14.545 -4.103 1.00 14.31 N ATOM 1458 CA TYR A 91 10.742 15.633 -4.021 1.00 23.32 C ATOM 1459 C TYR A 91 10.117 17.029 -4.278 1.00 20.33 C ATOM 1460 O TYR A 91 10.642 18.047 -3.819 1.00 64.12 O ATOM 1461 CB TYR A 91 11.889 15.354 -5.039 1.00 74.01 C ATOM 1462 CG TYR A 91 11.416 15.238 -6.509 1.00 21.42 C ATOM 1463 CD1 TYR A 91 11.342 16.362 -7.338 1.00 43.33 C ATOM 1464 CD2 TYR A 91 11.018 14.011 -7.052 1.00 74.33 C ATOM 1465 CE1 TYR A 91 10.899 16.267 -8.638 1.00 0.30 C ATOM 1466 CE2 TYR A 91 10.578 13.915 -8.358 1.00 52.11 C ATOM 1467 CZ TYR A 91 10.520 15.044 -9.146 1.00 74.45 C ATOM 1468 OH TYR A 91 10.091 14.948 -10.448 1.00 64.45 O ATOM 0 H TYR A 91 9.943 13.874 -4.844 1.00 14.31 H new ATOM 0 HA TYR A 91 11.140 15.649 -3.006 1.00 23.32 H new ATOM 0 HB2 TYR A 91 12.626 16.154 -4.968 1.00 74.01 H new ATOM 0 HB3 TYR A 91 12.394 14.430 -4.757 1.00 74.01 H new ATOM 0 HD1 TYR A 91 11.639 17.325 -6.950 1.00 43.33 H new ATOM 0 HD2 TYR A 91 11.056 13.123 -6.439 1.00 74.33 H new ATOM 0 HE1 TYR A 91 10.849 17.150 -9.258 1.00 0.30 H new ATOM 0 HE2 TYR A 91 10.280 12.958 -8.760 1.00 52.11 H new ATOM 0 HH TYR A 91 9.862 14.017 -10.649 1.00 64.45 H new ATOM 1478 N ASP A 92 8.996 17.062 -5.027 1.00 63.54 N ATOM 1479 CA ASP A 92 8.334 18.308 -5.444 1.00 11.41 C ATOM 1480 C ASP A 92 7.103 18.586 -4.555 1.00 60.30 C ATOM 1481 O ASP A 92 6.315 17.677 -4.257 1.00 22.51 O ATOM 1482 CB ASP A 92 7.941 18.205 -6.933 1.00 32.35 C ATOM 1483 CG ASP A 92 7.386 19.520 -7.499 1.00 70.13 C ATOM 1484 OD1 ASP A 92 8.188 20.395 -7.881 1.00 13.20 O ATOM 1485 OD2 ASP A 92 6.154 19.697 -7.542 1.00 73.24 O ATOM 0 H ASP A 92 8.525 16.220 -5.359 1.00 63.54 H new ATOM 0 HA ASP A 92 9.021 19.145 -5.324 1.00 11.41 H new ATOM 0 HB2 ASP A 92 8.814 17.906 -7.514 1.00 32.35 H new ATOM 0 HB3 ASP A 92 7.194 17.420 -7.053 1.00 32.35 H new ATOM 1490 N GLN A 93 6.950 19.857 -4.158 1.00 2.32 N ATOM 1491 CA GLN A 93 5.903 20.304 -3.209 1.00 24.22 C ATOM 1492 C GLN A 93 4.462 20.166 -3.751 1.00 1.53 C ATOM 1493 O GLN A 93 3.534 20.065 -2.956 1.00 34.02 O ATOM 1494 CB GLN A 93 6.156 21.768 -2.747 1.00 50.42 C ATOM 1495 CG GLN A 93 7.430 21.962 -1.902 1.00 13.25 C ATOM 1496 CD GLN A 93 7.560 23.380 -1.333 1.00 65.01 C ATOM 1497 OE1 GLN A 93 8.140 24.263 -1.950 1.00 43.51 O ATOM 1498 NE2 GLN A 93 7.013 23.606 -0.154 1.00 12.03 N ATOM 0 H GLN A 93 7.550 20.614 -4.485 1.00 2.32 H new ATOM 0 HA GLN A 93 5.981 19.629 -2.357 1.00 24.22 H new ATOM 0 HB2 GLN A 93 6.219 22.407 -3.628 1.00 50.42 H new ATOM 0 HB3 GLN A 93 5.297 22.106 -2.168 1.00 50.42 H new ATOM 0 HG2 GLN A 93 7.427 21.245 -1.081 1.00 13.25 H new ATOM 0 HG3 GLN A 93 8.304 21.741 -2.515 1.00 13.25 H new ATOM 0 HE21 GLN A 93 6.535 22.852 0.339 1.00 12.03 H new ATOM 0 HE22 GLN A 93 7.068 24.535 0.264 1.00 12.03 H new ATOM 1507 N ALA A 94 4.268 20.182 -5.086 1.00 20.31 N ATOM 1508 CA ALA A 94 2.920 20.024 -5.695 1.00 41.24 C ATOM 1509 C ALA A 94 2.319 18.622 -5.417 1.00 12.13 C ATOM 1510 O ALA A 94 1.113 18.497 -5.231 1.00 52.53 O ATOM 1511 CB ALA A 94 2.971 20.300 -7.202 1.00 61.32 C ATOM 0 H ALA A 94 5.020 20.302 -5.764 1.00 20.31 H new ATOM 0 HA ALA A 94 2.264 20.758 -5.226 1.00 41.24 H new ATOM 0 HB1 ALA A 94 1.975 20.179 -7.628 1.00 61.32 H new ATOM 0 HB2 ALA A 94 3.318 21.319 -7.374 1.00 61.32 H new ATOM 0 HB3 ALA A 94 3.657 19.598 -7.677 1.00 61.32 H new ATOM 1517 N GLU A 95 3.183 17.584 -5.385 1.00 4.13 N ATOM 1518 CA GLU A 95 2.770 16.191 -5.055 1.00 30.51 C ATOM 1519 C GLU A 95 2.460 16.028 -3.549 1.00 14.12 C ATOM 1520 O GLU A 95 1.512 15.319 -3.169 1.00 40.33 O ATOM 1521 CB GLU A 95 3.864 15.162 -5.488 1.00 21.24 C ATOM 1522 CG GLU A 95 3.923 14.861 -7.004 1.00 64.13 C ATOM 1523 CD GLU A 95 4.400 16.041 -7.872 1.00 55.33 C ATOM 1524 OE1 GLU A 95 5.619 16.171 -8.089 1.00 0.30 O ATOM 1525 OE2 GLU A 95 3.552 16.834 -8.343 1.00 21.41 O ATOM 0 H GLU A 95 4.179 17.680 -5.584 1.00 4.13 H new ATOM 0 HA GLU A 95 1.856 15.990 -5.614 1.00 30.51 H new ATOM 0 HB2 GLU A 95 4.837 15.536 -5.170 1.00 21.24 H new ATOM 0 HB3 GLU A 95 3.692 14.227 -4.955 1.00 21.24 H new ATOM 0 HG2 GLU A 95 4.589 14.014 -7.168 1.00 64.13 H new ATOM 0 HG3 GLU A 95 2.932 14.557 -7.340 1.00 64.13 H new ATOM 1532 N VAL A 96 3.282 16.678 -2.702 1.00 35.33 N ATOM 1533 CA VAL A 96 3.108 16.659 -1.232 1.00 5.11 C ATOM 1534 C VAL A 96 1.788 17.365 -0.824 1.00 65.30 C ATOM 1535 O VAL A 96 0.953 16.793 -0.120 1.00 34.14 O ATOM 1536 CB VAL A 96 4.337 17.322 -0.494 1.00 1.04 C ATOM 1537 CG1 VAL A 96 4.187 17.241 1.052 1.00 32.43 C ATOM 1538 CG2 VAL A 96 5.673 16.682 -0.957 1.00 1.31 C ATOM 0 H VAL A 96 4.082 17.229 -3.013 1.00 35.33 H new ATOM 0 HA VAL A 96 3.055 15.615 -0.923 1.00 5.11 H new ATOM 0 HB VAL A 96 4.353 18.377 -0.767 1.00 1.04 H new ATOM 0 HG11 VAL A 96 5.051 17.707 1.526 1.00 32.43 H new ATOM 0 HG12 VAL A 96 3.280 17.763 1.357 1.00 32.43 H new ATOM 0 HG13 VAL A 96 4.125 16.196 1.357 1.00 32.43 H new ATOM 0 HG21 VAL A 96 6.504 17.156 -0.434 1.00 1.31 H new ATOM 0 HG22 VAL A 96 5.663 15.616 -0.731 1.00 1.31 H new ATOM 0 HG23 VAL A 96 5.792 16.824 -2.031 1.00 1.31 H new ATOM 1548 N ALA A 97 1.616 18.603 -1.315 1.00 55.41 N ATOM 1549 CA ALA A 97 0.403 19.424 -1.093 1.00 72.12 C ATOM 1550 C ALA A 97 -0.868 18.780 -1.698 1.00 34.41 C ATOM 1551 O ALA A 97 -1.968 18.954 -1.158 1.00 51.30 O ATOM 1552 CB ALA A 97 0.606 20.836 -1.669 1.00 24.45 C ATOM 0 H ALA A 97 2.320 19.072 -1.884 1.00 55.41 H new ATOM 0 HA ALA A 97 0.250 19.486 -0.016 1.00 72.12 H new ATOM 0 HB1 ALA A 97 -0.292 21.430 -1.500 1.00 24.45 H new ATOM 0 HB2 ALA A 97 1.454 21.312 -1.176 1.00 24.45 H new ATOM 0 HB3 ALA A 97 0.800 20.768 -2.739 1.00 24.45 H new ATOM 1558 N ALA A 98 -0.703 18.041 -2.821 1.00 73.32 N ATOM 1559 CA ALA A 98 -1.812 17.296 -3.471 1.00 62.40 C ATOM 1560 C ALA A 98 -2.420 16.236 -2.530 1.00 1.13 C ATOM 1561 O ALA A 98 -3.635 16.171 -2.353 1.00 73.22 O ATOM 1562 CB ALA A 98 -1.325 16.620 -4.760 1.00 40.01 C ATOM 0 H ALA A 98 0.193 17.944 -3.299 1.00 73.32 H new ATOM 0 HA ALA A 98 -2.588 18.022 -3.712 1.00 62.40 H new ATOM 0 HB1 ALA A 98 -2.151 16.079 -5.222 1.00 40.01 H new ATOM 0 HB2 ALA A 98 -0.956 17.378 -5.451 1.00 40.01 H new ATOM 0 HB3 ALA A 98 -0.522 15.922 -4.524 1.00 40.01 H new ATOM 1568 N HIS A 99 -1.543 15.415 -1.924 1.00 62.31 N ATOM 1569 CA HIS A 99 -1.953 14.356 -0.974 1.00 55.20 C ATOM 1570 C HIS A 99 -2.364 14.921 0.396 1.00 21.34 C ATOM 1571 O HIS A 99 -3.136 14.291 1.106 1.00 20.01 O ATOM 1572 CB HIS A 99 -0.849 13.281 -0.840 1.00 30.42 C ATOM 1573 CG HIS A 99 -0.838 12.302 -1.984 1.00 74.43 C ATOM 1574 ND1 HIS A 99 -1.164 10.971 -1.831 1.00 14.10 N ATOM 1575 CD2 HIS A 99 -0.557 12.464 -3.297 1.00 33.54 C ATOM 1576 CE1 HIS A 99 -1.083 10.360 -2.988 1.00 21.23 C ATOM 1577 NE2 HIS A 99 -0.718 11.238 -3.898 1.00 41.13 N ATOM 0 H HIS A 99 -0.535 15.463 -2.075 1.00 62.31 H new ATOM 0 HA HIS A 99 -2.842 13.880 -1.387 1.00 55.20 H new ATOM 0 HB2 HIS A 99 0.122 13.772 -0.780 1.00 30.42 H new ATOM 0 HB3 HIS A 99 -0.990 12.738 0.094 1.00 30.42 H new ATOM 0 HD1 HIS A 99 -1.428 10.529 -0.951 1.00 14.10 H new ATOM 0 HD2 HIS A 99 -0.262 13.383 -3.782 1.00 33.54 H new ATOM 0 HE1 HIS A 99 -1.282 9.313 -3.165 1.00 21.23 H new ATOM 1586 N ALA A 100 -1.812 16.085 0.777 1.00 64.32 N ATOM 1587 CA ALA A 100 -2.276 16.834 1.965 1.00 5.20 C ATOM 1588 C ALA A 100 -3.759 17.251 1.819 1.00 40.30 C ATOM 1589 O ALA A 100 -4.578 17.012 2.711 1.00 11.04 O ATOM 1590 CB ALA A 100 -1.384 18.061 2.205 1.00 62.33 C ATOM 0 H ALA A 100 -1.041 16.532 0.280 1.00 64.32 H new ATOM 0 HA ALA A 100 -2.201 16.177 2.832 1.00 5.20 H new ATOM 0 HB1 ALA A 100 -1.738 18.602 3.083 1.00 62.33 H new ATOM 0 HB2 ALA A 100 -0.356 17.737 2.368 1.00 62.33 H new ATOM 0 HB3 ALA A 100 -1.424 18.716 1.334 1.00 62.33 H new ATOM 1596 N ALA A 101 -4.089 17.841 0.658 1.00 50.15 N ATOM 1597 CA ALA A 101 -5.462 18.296 0.341 1.00 13.30 C ATOM 1598 C ALA A 101 -6.435 17.108 0.144 1.00 1.01 C ATOM 1599 O ALA A 101 -7.591 17.178 0.563 1.00 10.42 O ATOM 1600 CB ALA A 101 -5.446 19.190 -0.907 1.00 71.51 C ATOM 0 H ALA A 101 -3.417 18.018 -0.088 1.00 50.15 H new ATOM 0 HA ALA A 101 -5.824 18.873 1.192 1.00 13.30 H new ATOM 0 HB1 ALA A 101 -6.460 19.519 -1.132 1.00 71.51 H new ATOM 0 HB2 ALA A 101 -4.814 20.059 -0.724 1.00 71.51 H new ATOM 0 HB3 ALA A 101 -5.052 18.627 -1.753 1.00 71.51 H new ATOM 1606 N THR A 102 -5.949 16.021 -0.493 1.00 14.11 N ATOM 1607 CA THR A 102 -6.758 14.789 -0.725 1.00 40.42 C ATOM 1608 C THR A 102 -7.077 14.070 0.607 1.00 13.11 C ATOM 1609 O THR A 102 -8.209 13.629 0.831 1.00 70.23 O ATOM 1610 CB THR A 102 -6.057 13.793 -1.718 1.00 14.24 C ATOM 1611 OG1 THR A 102 -5.801 14.459 -2.966 1.00 73.35 O ATOM 1612 CG2 THR A 102 -6.902 12.528 -1.998 1.00 61.32 C ATOM 0 H THR A 102 -4.999 15.965 -0.859 1.00 14.11 H new ATOM 0 HA THR A 102 -7.691 15.115 -1.184 1.00 40.42 H new ATOM 0 HB THR A 102 -5.129 13.475 -1.243 1.00 14.24 H new ATOM 0 HG1 THR A 102 -5.056 15.086 -2.855 1.00 73.35 H new ATOM 0 HG21 THR A 102 -6.366 11.878 -2.690 1.00 61.32 H new ATOM 0 HG22 THR A 102 -7.080 11.995 -1.064 1.00 61.32 H new ATOM 0 HG23 THR A 102 -7.856 12.818 -2.438 1.00 61.32 H new ATOM 1620 N TYR A 103 -6.067 13.978 1.488 1.00 61.23 N ATOM 1621 CA TYR A 103 -6.215 13.437 2.860 1.00 40.15 C ATOM 1622 C TYR A 103 -7.293 14.202 3.677 1.00 62.50 C ATOM 1623 O TYR A 103 -8.116 13.589 4.357 1.00 65.40 O ATOM 1624 CB TYR A 103 -4.842 13.505 3.587 1.00 44.43 C ATOM 1625 CG TYR A 103 -4.815 12.908 5.010 1.00 35.33 C ATOM 1626 CD1 TYR A 103 -5.142 13.680 6.132 1.00 55.03 C ATOM 1627 CD2 TYR A 103 -4.468 11.575 5.226 1.00 25.13 C ATOM 1628 CE1 TYR A 103 -5.125 13.141 7.402 1.00 43.44 C ATOM 1629 CE2 TYR A 103 -4.451 11.041 6.500 1.00 35.01 C ATOM 1630 CZ TYR A 103 -4.781 11.823 7.576 1.00 1.34 C ATOM 1631 OH TYR A 103 -4.772 11.277 8.840 1.00 11.41 O ATOM 0 H TYR A 103 -5.116 14.278 1.272 1.00 61.23 H new ATOM 0 HA TYR A 103 -6.547 12.402 2.782 1.00 40.15 H new ATOM 0 HB2 TYR A 103 -4.102 12.984 2.979 1.00 44.43 H new ATOM 0 HB3 TYR A 103 -4.531 14.548 3.643 1.00 44.43 H new ATOM 0 HD1 TYR A 103 -5.413 14.717 6.001 1.00 55.03 H new ATOM 0 HD2 TYR A 103 -4.208 10.950 4.384 1.00 25.13 H new ATOM 0 HE1 TYR A 103 -5.381 13.752 8.255 1.00 43.44 H new ATOM 0 HE2 TYR A 103 -4.178 10.007 6.648 1.00 35.01 H new ATOM 0 HH TYR A 103 -4.092 11.726 9.385 1.00 11.41 H new ATOM 1641 N HIS A 104 -7.254 15.544 3.625 1.00 24.34 N ATOM 1642 CA HIS A 104 -8.174 16.406 4.413 1.00 13.04 C ATOM 1643 C HIS A 104 -9.608 16.453 3.819 1.00 35.13 C ATOM 1644 O HIS A 104 -10.592 16.271 4.543 1.00 64.14 O ATOM 1645 CB HIS A 104 -7.582 17.835 4.547 1.00 34.13 C ATOM 1646 CG HIS A 104 -6.452 17.955 5.544 1.00 42.35 C ATOM 1647 ND1 HIS A 104 -6.489 18.818 6.616 1.00 45.20 N ATOM 1648 CD2 HIS A 104 -5.257 17.317 5.631 1.00 42.40 C ATOM 1649 CE1 HIS A 104 -5.377 18.708 7.308 1.00 3.45 C ATOM 1650 NE2 HIS A 104 -4.614 17.806 6.736 1.00 1.21 N ATOM 0 H HIS A 104 -6.595 16.064 3.045 1.00 24.34 H new ATOM 0 HA HIS A 104 -8.266 15.961 5.404 1.00 13.04 H new ATOM 0 HB2 HIS A 104 -7.223 18.159 3.570 1.00 34.13 H new ATOM 0 HB3 HIS A 104 -8.379 18.519 4.837 1.00 34.13 H new ATOM 0 HD2 HIS A 104 -4.883 16.563 4.954 1.00 42.40 H new ATOM 0 HE1 HIS A 104 -5.132 19.267 8.199 1.00 3.45 H new ATOM 0 HE2 HIS A 104 -3.692 17.517 7.062 1.00 1.21 H new ATOM 1659 N SER A 105 -9.713 16.672 2.497 1.00 52.12 N ATOM 1660 CA SER A 105 -11.020 16.918 1.823 1.00 23.15 C ATOM 1661 C SER A 105 -11.753 15.609 1.442 1.00 33.24 C ATOM 1662 O SER A 105 -12.983 15.529 1.527 1.00 50.50 O ATOM 1663 CB SER A 105 -10.803 17.780 0.554 1.00 20.13 C ATOM 1664 OG SER A 105 -12.020 18.040 -0.136 1.00 32.12 O ATOM 0 H SER A 105 -8.913 16.686 1.865 1.00 52.12 H new ATOM 0 HA SER A 105 -11.652 17.447 2.537 1.00 23.15 H new ATOM 0 HB2 SER A 105 -10.338 18.725 0.834 1.00 20.13 H new ATOM 0 HB3 SER A 105 -10.110 17.270 -0.115 1.00 20.13 H new ATOM 0 HG SER A 105 -11.837 18.587 -0.928 1.00 32.12 H new ATOM 1670 N HIS A 106 -10.990 14.586 1.017 1.00 45.15 N ATOM 1671 CA HIS A 106 -11.561 13.284 0.560 1.00 45.14 C ATOM 1672 C HIS A 106 -11.360 12.145 1.593 1.00 32.23 C ATOM 1673 O HIS A 106 -11.999 11.093 1.492 1.00 52.30 O ATOM 1674 CB HIS A 106 -10.918 12.897 -0.798 1.00 60.23 C ATOM 1675 CG HIS A 106 -11.015 13.971 -1.860 1.00 11.32 C ATOM 1676 ND1 HIS A 106 -10.183 14.997 -2.164 1.00 4.32 N flip ATOM 1677 CD2 HIS A 106 -12.059 14.066 -2.753 1.00 44.31 C flip ATOM 1678 CE1 HIS A 106 -10.737 15.678 -3.217 1.00 60.51 C flip ATOM 1679 NE2 HIS A 106 -11.867 15.095 -3.549 1.00 32.30 N flip ATOM 0 H HIS A 106 -9.972 14.626 0.977 1.00 45.15 H new ATOM 0 HA HIS A 106 -12.637 13.414 0.447 1.00 45.14 H new ATOM 0 HB2 HIS A 106 -9.867 12.658 -0.634 1.00 60.23 H new ATOM 0 HB3 HIS A 106 -11.397 11.991 -1.169 1.00 60.23 H new ATOM 0 HD2 HIS A 106 -12.906 13.397 -2.793 1.00 44.31 H new ATOM 0 HE1 HIS A 106 -10.315 16.550 -3.695 1.00 60.51 H new ATOM 0 HE2 HIS A 106 -12.491 15.391 -4.299 1.00 32.30 H new ATOM 1688 N GLY A 107 -10.469 12.362 2.579 1.00 44.41 N ATOM 1689 CA GLY A 107 -10.185 11.361 3.628 1.00 0.20 C ATOM 1690 C GLY A 107 -8.954 10.490 3.336 1.00 3.31 C ATOM 1691 O GLY A 107 -8.475 10.436 2.195 1.00 62.45 O ATOM 0 H GLY A 107 -9.931 13.224 2.672 1.00 44.41 H new ATOM 0 HA2 GLY A 107 -10.038 11.875 4.578 1.00 0.20 H new ATOM 0 HA3 GLY A 107 -11.055 10.716 3.747 1.00 0.20 H new ATOM 1695 N TYR A 108 -8.458 9.794 4.383 1.00 35.22 N ATOM 1696 CA TYR A 108 -7.259 8.922 4.299 1.00 43.24 C ATOM 1697 C TYR A 108 -7.463 7.750 3.318 1.00 53.12 C ATOM 1698 O TYR A 108 -6.569 7.432 2.524 1.00 63.31 O ATOM 1699 CB TYR A 108 -6.899 8.363 5.696 1.00 31.04 C ATOM 1700 CG TYR A 108 -5.682 7.415 5.719 1.00 31.42 C ATOM 1701 CD1 TYR A 108 -4.436 7.850 5.266 1.00 11.51 C ATOM 1702 CD2 TYR A 108 -5.775 6.096 6.188 1.00 24.11 C ATOM 1703 CE1 TYR A 108 -3.340 7.027 5.286 1.00 74.31 C ATOM 1704 CE2 TYR A 108 -4.664 5.269 6.209 1.00 51.43 C ATOM 1705 CZ TYR A 108 -3.452 5.745 5.755 1.00 22.23 C ATOM 1706 OH TYR A 108 -2.338 4.945 5.787 1.00 30.01 O ATOM 0 H TYR A 108 -8.877 9.819 5.313 1.00 35.22 H new ATOM 0 HA TYR A 108 -6.442 9.539 3.925 1.00 43.24 H new ATOM 0 HB2 TYR A 108 -6.703 9.199 6.367 1.00 31.04 H new ATOM 0 HB3 TYR A 108 -7.764 7.831 6.093 1.00 31.04 H new ATOM 0 HD1 TYR A 108 -4.333 8.858 4.891 1.00 11.51 H new ATOM 0 HD2 TYR A 108 -6.725 5.720 6.537 1.00 24.11 H new ATOM 0 HE1 TYR A 108 -2.387 7.390 4.931 1.00 74.31 H new ATOM 0 HE2 TYR A 108 -4.746 4.258 6.579 1.00 51.43 H new ATOM 0 HH TYR A 108 -2.586 4.028 5.545 1.00 30.01 H new ATOM 1716 N ASP A 109 -8.645 7.110 3.404 1.00 34.12 N ATOM 1717 CA ASP A 109 -8.990 5.948 2.567 1.00 14.41 C ATOM 1718 C ASP A 109 -8.905 6.293 1.063 1.00 74.33 C ATOM 1719 O ASP A 109 -8.323 5.544 0.288 1.00 15.21 O ATOM 1720 CB ASP A 109 -10.388 5.395 2.950 1.00 51.31 C ATOM 1721 CG ASP A 109 -11.507 6.440 2.826 1.00 32.41 C ATOM 1722 OD1 ASP A 109 -11.714 7.219 3.778 1.00 5.14 O ATOM 1723 OD2 ASP A 109 -12.161 6.502 1.768 1.00 14.22 O ATOM 0 H ASP A 109 -9.383 7.383 4.053 1.00 34.12 H new ATOM 0 HA ASP A 109 -8.258 5.163 2.756 1.00 14.41 H new ATOM 0 HB2 ASP A 109 -10.622 4.544 2.311 1.00 51.31 H new ATOM 0 HB3 ASP A 109 -10.357 5.025 3.975 1.00 51.31 H new ATOM 1728 N ALA A 110 -9.444 7.469 0.692 1.00 71.52 N ATOM 1729 CA ALA A 110 -9.428 7.969 -0.697 1.00 21.31 C ATOM 1730 C ALA A 110 -7.999 8.294 -1.191 1.00 25.31 C ATOM 1731 O ALA A 110 -7.686 8.099 -2.371 1.00 24.12 O ATOM 1732 CB ALA A 110 -10.323 9.204 -0.804 1.00 4.42 C ATOM 0 H ALA A 110 -9.904 8.101 1.347 1.00 71.52 H new ATOM 0 HA ALA A 110 -9.810 7.177 -1.340 1.00 21.31 H new ATOM 0 HB1 ALA A 110 -10.312 9.574 -1.829 1.00 4.42 H new ATOM 0 HB2 ALA A 110 -11.343 8.940 -0.525 1.00 4.42 H new ATOM 0 HB3 ALA A 110 -9.953 9.980 -0.134 1.00 4.42 H new ATOM 1738 N ASP A 111 -7.145 8.792 -0.276 1.00 31.40 N ATOM 1739 CA ASP A 111 -5.733 9.127 -0.579 1.00 50.14 C ATOM 1740 C ASP A 111 -4.914 7.847 -0.928 1.00 23.32 C ATOM 1741 O ASP A 111 -4.009 7.878 -1.776 1.00 42.35 O ATOM 1742 CB ASP A 111 -5.110 9.890 0.621 1.00 54.42 C ATOM 1743 CG ASP A 111 -3.773 10.560 0.272 1.00 61.23 C ATOM 1744 OD1 ASP A 111 -3.788 11.535 -0.506 1.00 42.44 O ATOM 1745 OD2 ASP A 111 -2.704 10.106 0.739 1.00 25.21 O ATOM 0 H ASP A 111 -7.410 8.974 0.692 1.00 31.40 H new ATOM 0 HA ASP A 111 -5.703 9.774 -1.456 1.00 50.14 H new ATOM 0 HB2 ASP A 111 -5.812 10.649 0.967 1.00 54.42 H new ATOM 0 HB3 ASP A 111 -4.958 9.196 1.448 1.00 54.42 H new ATOM 1750 N ILE A 112 -5.264 6.726 -0.269 1.00 61.52 N ATOM 1751 CA ILE A 112 -4.694 5.386 -0.560 1.00 51.20 C ATOM 1752 C ILE A 112 -5.302 4.794 -1.861 1.00 34.02 C ATOM 1753 O ILE A 112 -4.585 4.220 -2.697 1.00 21.23 O ATOM 1754 CB ILE A 112 -4.950 4.397 0.643 1.00 33.34 C ATOM 1755 CG1 ILE A 112 -4.297 4.937 1.963 1.00 51.35 C ATOM 1756 CG2 ILE A 112 -4.468 2.954 0.324 1.00 34.14 C ATOM 1757 CD1 ILE A 112 -2.783 5.085 1.926 1.00 62.40 C ATOM 0 H ILE A 112 -5.952 6.719 0.484 1.00 61.52 H new ATOM 0 HA ILE A 112 -3.620 5.507 -0.698 1.00 51.20 H new ATOM 0 HB ILE A 112 -6.028 4.345 0.796 1.00 33.34 H new ATOM 0 HG12 ILE A 112 -4.735 5.908 2.195 1.00 51.35 H new ATOM 0 HG13 ILE A 112 -4.560 4.265 2.780 1.00 51.35 H new ATOM 0 HG21 ILE A 112 -4.664 2.308 1.179 1.00 34.14 H new ATOM 0 HG22 ILE A 112 -5.003 2.576 -0.547 1.00 34.14 H new ATOM 0 HG23 ILE A 112 -3.398 2.966 0.115 1.00 34.14 H new ATOM 0 HD11 ILE A 112 -2.431 5.464 2.885 1.00 62.40 H new ATOM 0 HD12 ILE A 112 -2.327 4.114 1.730 1.00 62.40 H new ATOM 0 HD13 ILE A 112 -2.505 5.782 1.136 1.00 62.40 H new ATOM 1769 N ASN A 113 -6.632 4.952 -2.022 1.00 72.15 N ATOM 1770 CA ASN A 113 -7.386 4.459 -3.206 1.00 33.42 C ATOM 1771 C ASN A 113 -6.891 5.116 -4.510 1.00 32.44 C ATOM 1772 O ASN A 113 -6.978 4.509 -5.577 1.00 0.33 O ATOM 1773 CB ASN A 113 -8.909 4.692 -3.032 1.00 70.25 C ATOM 1774 CG ASN A 113 -9.523 3.860 -1.906 1.00 2.53 C ATOM 1775 OD1 ASN A 113 -9.060 2.765 -1.595 1.00 45.52 O ATOM 1776 ND2 ASN A 113 -10.571 4.369 -1.288 1.00 32.23 N ATOM 0 H ASN A 113 -7.220 5.426 -1.336 1.00 72.15 H new ATOM 0 HA ASN A 113 -7.204 3.387 -3.280 1.00 33.42 H new ATOM 0 HB2 ASN A 113 -9.087 5.749 -2.833 1.00 70.25 H new ATOM 0 HB3 ASN A 113 -9.415 4.454 -3.968 1.00 70.25 H new ATOM 0 HD21 ASN A 113 -11.018 3.851 -0.531 1.00 32.23 H new ATOM 0 HD22 ASN A 113 -10.935 5.280 -1.567 1.00 32.23 H new ATOM 1783 N SER A 114 -6.384 6.367 -4.399 1.00 13.23 N ATOM 1784 CA SER A 114 -5.742 7.097 -5.522 1.00 75.32 C ATOM 1785 C SER A 114 -4.597 6.270 -6.151 1.00 35.30 C ATOM 1786 O SER A 114 -4.518 6.141 -7.371 1.00 25.45 O ATOM 1787 CB SER A 114 -5.189 8.460 -5.037 1.00 71.35 C ATOM 1788 OG SER A 114 -4.559 9.180 -6.092 1.00 2.41 O ATOM 0 H SER A 114 -6.408 6.900 -3.529 1.00 13.23 H new ATOM 0 HA SER A 114 -6.505 7.265 -6.282 1.00 75.32 H new ATOM 0 HB2 SER A 114 -6.003 9.057 -4.625 1.00 71.35 H new ATOM 0 HB3 SER A 114 -4.474 8.296 -4.231 1.00 71.35 H new ATOM 0 HG SER A 114 -4.224 10.035 -5.750 1.00 2.41 H new ATOM 1794 N TYR A 115 -3.761 5.666 -5.287 1.00 44.14 N ATOM 1795 CA TYR A 115 -2.626 4.817 -5.712 1.00 3.34 C ATOM 1796 C TYR A 115 -3.124 3.516 -6.400 1.00 12.54 C ATOM 1797 O TYR A 115 -2.564 3.090 -7.416 1.00 61.20 O ATOM 1798 CB TYR A 115 -1.739 4.502 -4.462 1.00 74.31 C ATOM 1799 CG TYR A 115 -1.008 3.147 -4.495 1.00 10.42 C ATOM 1800 CD1 TYR A 115 0.075 2.927 -5.342 1.00 61.04 C ATOM 1801 CD2 TYR A 115 -1.424 2.086 -3.682 1.00 24.20 C ATOM 1802 CE1 TYR A 115 0.714 1.710 -5.370 1.00 63.01 C ATOM 1803 CE2 TYR A 115 -0.780 0.871 -3.712 1.00 63.12 C ATOM 1804 CZ TYR A 115 0.284 0.687 -4.553 1.00 12.43 C ATOM 1805 OH TYR A 115 0.942 -0.521 -4.566 1.00 1.32 O ATOM 0 H TYR A 115 -3.851 5.751 -4.274 1.00 44.14 H new ATOM 0 HA TYR A 115 -2.028 5.351 -6.451 1.00 3.34 H new ATOM 0 HB2 TYR A 115 -0.997 5.293 -4.355 1.00 74.31 H new ATOM 0 HB3 TYR A 115 -2.369 4.534 -3.573 1.00 74.31 H new ATOM 0 HD1 TYR A 115 0.418 3.723 -5.986 1.00 61.04 H new ATOM 0 HD2 TYR A 115 -2.266 2.224 -3.019 1.00 24.20 H new ATOM 0 HE1 TYR A 115 1.553 1.556 -6.032 1.00 63.01 H new ATOM 0 HE2 TYR A 115 -1.113 0.065 -3.074 1.00 63.12 H new ATOM 0 HH TYR A 115 0.870 -0.923 -5.457 1.00 1.32 H new ATOM 1815 N ILE A 116 -4.191 2.923 -5.843 1.00 34.04 N ATOM 1816 CA ILE A 116 -4.804 1.682 -6.377 1.00 33.23 C ATOM 1817 C ILE A 116 -5.447 1.948 -7.764 1.00 52.25 C ATOM 1818 O ILE A 116 -5.456 1.082 -8.647 1.00 12.05 O ATOM 1819 CB ILE A 116 -5.871 1.112 -5.356 1.00 14.34 C ATOM 1820 CG1 ILE A 116 -5.208 0.849 -3.965 1.00 13.34 C ATOM 1821 CG2 ILE A 116 -6.559 -0.176 -5.881 1.00 71.33 C ATOM 1822 CD1 ILE A 116 -4.150 -0.251 -3.957 1.00 25.31 C ATOM 0 H ILE A 116 -4.658 3.284 -5.011 1.00 34.04 H new ATOM 0 HA ILE A 116 -4.023 0.933 -6.506 1.00 33.23 H new ATOM 0 HB ILE A 116 -6.648 1.869 -5.245 1.00 14.34 H new ATOM 0 HG12 ILE A 116 -4.752 1.775 -3.615 1.00 13.34 H new ATOM 0 HG13 ILE A 116 -5.988 0.588 -3.250 1.00 13.34 H new ATOM 0 HG21 ILE A 116 -7.282 -0.528 -5.145 1.00 71.33 H new ATOM 0 HG22 ILE A 116 -7.071 0.041 -6.818 1.00 71.33 H new ATOM 0 HG23 ILE A 116 -5.807 -0.947 -6.049 1.00 71.33 H new ATOM 0 HD11 ILE A 116 -3.747 -0.361 -2.950 1.00 25.31 H new ATOM 0 HD12 ILE A 116 -4.601 -1.192 -4.272 1.00 25.31 H new ATOM 0 HD13 ILE A 116 -3.345 0.013 -4.643 1.00 25.31 H new ATOM 1834 N ASP A 117 -5.937 3.184 -7.937 1.00 54.52 N ATOM 1835 CA ASP A 117 -6.612 3.647 -9.160 1.00 3.20 C ATOM 1836 C ASP A 117 -5.599 4.108 -10.251 1.00 4.25 C ATOM 1837 O ASP A 117 -5.959 4.188 -11.434 1.00 15.21 O ATOM 1838 CB ASP A 117 -7.582 4.797 -8.769 1.00 63.41 C ATOM 1839 CG ASP A 117 -8.559 5.204 -9.885 1.00 15.20 C ATOM 1840 OD1 ASP A 117 -9.560 4.485 -10.093 1.00 53.40 O ATOM 1841 OD2 ASP A 117 -8.345 6.245 -10.548 1.00 54.24 O ATOM 0 H ASP A 117 -5.874 3.904 -7.218 1.00 54.52 H new ATOM 0 HA ASP A 117 -7.168 2.819 -9.599 1.00 3.20 H new ATOM 0 HB2 ASP A 117 -8.155 4.492 -7.893 1.00 63.41 H new ATOM 0 HB3 ASP A 117 -6.996 5.669 -8.479 1.00 63.41 H new ATOM 1846 N SER A 118 -4.325 4.374 -9.863 1.00 14.32 N ATOM 1847 CA SER A 118 -3.301 4.947 -10.779 1.00 30.20 C ATOM 1848 C SER A 118 -2.933 3.975 -11.926 1.00 52.42 C ATOM 1849 O SER A 118 -2.653 2.799 -11.681 1.00 30.11 O ATOM 1850 CB SER A 118 -2.013 5.319 -9.994 1.00 23.40 C ATOM 1851 OG SER A 118 -2.242 6.348 -9.043 1.00 3.51 O ATOM 0 H SER A 118 -3.980 4.200 -8.919 1.00 14.32 H new ATOM 0 HA SER A 118 -3.740 5.843 -11.219 1.00 30.20 H new ATOM 0 HB2 SER A 118 -1.632 4.434 -9.484 1.00 23.40 H new ATOM 0 HB3 SER A 118 -1.242 5.640 -10.695 1.00 23.40 H new ATOM 0 HG SER A 118 -3.058 6.151 -8.538 1.00 3.51 H new ATOM 1857 N ALA A 119 -2.940 4.496 -13.170 1.00 52.12 N ATOM 1858 CA ALA A 119 -2.550 3.741 -14.387 1.00 2.03 C ATOM 1859 C ALA A 119 -1.103 3.198 -14.313 1.00 0.55 C ATOM 1860 O ALA A 119 -0.835 2.074 -14.740 1.00 32.03 O ATOM 1861 CB ALA A 119 -2.719 4.628 -15.628 1.00 61.13 C ATOM 0 H ALA A 119 -3.218 5.458 -13.364 1.00 52.12 H new ATOM 0 HA ALA A 119 -3.211 2.877 -14.456 1.00 2.03 H new ATOM 0 HB1 ALA A 119 -2.431 4.068 -16.518 1.00 61.13 H new ATOM 0 HB2 ALA A 119 -3.761 4.937 -15.715 1.00 61.13 H new ATOM 0 HB3 ALA A 119 -2.085 5.510 -15.534 1.00 61.13 H new ATOM 1867 N GLU A 120 -0.187 4.015 -13.757 1.00 14.42 N ATOM 1868 CA GLU A 120 1.235 3.632 -13.556 1.00 65.04 C ATOM 1869 C GLU A 120 1.386 2.366 -12.669 1.00 21.22 C ATOM 1870 O GLU A 120 2.249 1.530 -12.916 1.00 71.31 O ATOM 1871 CB GLU A 120 2.031 4.805 -12.932 1.00 33.00 C ATOM 1872 CG GLU A 120 1.477 5.299 -11.574 1.00 61.21 C ATOM 1873 CD GLU A 120 2.434 6.256 -10.866 1.00 13.44 C ATOM 1874 OE1 GLU A 120 3.447 5.777 -10.318 1.00 61.13 O ATOM 1875 OE2 GLU A 120 2.213 7.489 -10.890 1.00 53.44 O ATOM 0 H GLU A 120 -0.405 4.957 -13.434 1.00 14.42 H new ATOM 0 HA GLU A 120 1.640 3.397 -14.540 1.00 65.04 H new ATOM 0 HB2 GLU A 120 3.067 4.495 -12.797 1.00 33.00 H new ATOM 0 HB3 GLU A 120 2.037 5.639 -13.634 1.00 33.00 H new ATOM 0 HG2 GLU A 120 0.522 5.798 -11.735 1.00 61.21 H new ATOM 0 HG3 GLU A 120 1.284 4.441 -10.930 1.00 61.21 H new ATOM 1882 N TYR A 121 0.532 2.244 -11.636 1.00 61.53 N ATOM 1883 CA TYR A 121 0.506 1.067 -10.740 1.00 34.21 C ATOM 1884 C TYR A 121 -0.167 -0.138 -11.444 1.00 1.03 C ATOM 1885 O TYR A 121 0.355 -1.262 -11.416 1.00 50.33 O ATOM 1886 CB TYR A 121 -0.232 1.414 -9.413 1.00 50.33 C ATOM 1887 CG TYR A 121 -0.513 0.204 -8.497 1.00 43.23 C ATOM 1888 CD1 TYR A 121 0.517 -0.655 -8.103 1.00 74.21 C ATOM 1889 CD2 TYR A 121 -1.803 -0.080 -8.037 1.00 44.51 C ATOM 1890 CE1 TYR A 121 0.273 -1.746 -7.298 1.00 74.24 C ATOM 1891 CE2 TYR A 121 -2.045 -1.168 -7.223 1.00 11.03 C ATOM 1892 CZ TYR A 121 -1.007 -1.997 -6.858 1.00 10.01 C ATOM 1893 OH TYR A 121 -1.245 -3.081 -6.045 1.00 44.33 O ATOM 0 H TYR A 121 -0.159 2.955 -11.397 1.00 61.53 H new ATOM 0 HA TYR A 121 1.533 0.790 -10.500 1.00 34.21 H new ATOM 0 HB2 TYR A 121 0.364 2.140 -8.861 1.00 50.33 H new ATOM 0 HB3 TYR A 121 -1.179 1.897 -9.655 1.00 50.33 H new ATOM 0 HD1 TYR A 121 1.525 -0.459 -8.437 1.00 74.21 H new ATOM 0 HD2 TYR A 121 -2.623 0.562 -8.323 1.00 44.51 H new ATOM 0 HE1 TYR A 121 1.083 -2.402 -7.013 1.00 74.24 H new ATOM 0 HE2 TYR A 121 -3.047 -1.369 -6.873 1.00 11.03 H new ATOM 0 HH TYR A 121 -1.464 -2.771 -5.142 1.00 44.33 H new ATOM 1903 N THR A 122 -1.324 0.133 -12.073 1.00 63.31 N ATOM 1904 CA THR A 122 -2.165 -0.893 -12.728 1.00 21.44 C ATOM 1905 C THR A 122 -1.400 -1.662 -13.827 1.00 52.53 C ATOM 1906 O THR A 122 -1.406 -2.891 -13.859 1.00 72.15 O ATOM 1907 CB THR A 122 -3.473 -0.258 -13.326 1.00 50.14 C ATOM 1908 OG1 THR A 122 -4.232 0.365 -12.275 1.00 51.14 O ATOM 1909 CG2 THR A 122 -4.368 -1.291 -14.047 1.00 44.33 C ATOM 0 H THR A 122 -1.707 1.076 -12.143 1.00 63.31 H new ATOM 0 HA THR A 122 -2.442 -1.608 -11.953 1.00 21.44 H new ATOM 0 HB THR A 122 -3.157 0.477 -14.067 1.00 50.14 H new ATOM 0 HG1 THR A 122 -3.797 1.202 -12.009 1.00 51.14 H new ATOM 0 HG21 THR A 122 -5.255 -0.793 -14.438 1.00 44.33 H new ATOM 0 HG22 THR A 122 -3.813 -1.743 -14.869 1.00 44.33 H new ATOM 0 HG23 THR A 122 -4.668 -2.067 -13.343 1.00 44.33 H new ATOM 1917 N GLU A 123 -0.748 -0.916 -14.719 1.00 73.21 N ATOM 1918 CA GLU A 123 0.031 -1.485 -15.837 1.00 14.54 C ATOM 1919 C GLU A 123 1.402 -2.073 -15.379 1.00 53.23 C ATOM 1920 O GLU A 123 1.714 -3.229 -15.693 1.00 12.13 O ATOM 1921 CB GLU A 123 0.204 -0.396 -16.926 1.00 13.40 C ATOM 1922 CG GLU A 123 -1.141 0.163 -17.453 1.00 15.40 C ATOM 1923 CD GLU A 123 -0.978 1.344 -18.425 1.00 21.12 C ATOM 1924 OE1 GLU A 123 -0.932 2.506 -17.962 1.00 75.15 O ATOM 1925 OE2 GLU A 123 -0.890 1.118 -19.652 1.00 3.10 O ATOM 0 H GLU A 123 -0.741 0.104 -14.693 1.00 73.21 H new ATOM 0 HA GLU A 123 -0.519 -2.330 -16.251 1.00 14.54 H new ATOM 0 HB2 GLU A 123 0.796 0.424 -16.519 1.00 13.40 H new ATOM 0 HB3 GLU A 123 0.768 -0.813 -17.760 1.00 13.40 H new ATOM 0 HG2 GLU A 123 -1.686 -0.637 -17.954 1.00 15.40 H new ATOM 0 HG3 GLU A 123 -1.749 0.481 -16.606 1.00 15.40 H new ATOM 1932 N SER A 124 2.196 -1.299 -14.602 1.00 22.44 N ATOM 1933 CA SER A 124 3.609 -1.677 -14.274 1.00 61.23 C ATOM 1934 C SER A 124 3.727 -2.782 -13.190 1.00 63.12 C ATOM 1935 O SER A 124 4.614 -3.641 -13.271 1.00 2.13 O ATOM 1936 CB SER A 124 4.409 -0.440 -13.811 1.00 74.11 C ATOM 1937 OG SER A 124 5.761 -0.756 -13.527 1.00 1.02 O ATOM 0 H SER A 124 1.895 -0.416 -14.190 1.00 22.44 H new ATOM 0 HA SER A 124 4.022 -2.082 -15.198 1.00 61.23 H new ATOM 0 HB2 SER A 124 4.371 0.326 -14.585 1.00 74.11 H new ATOM 0 HB3 SER A 124 3.941 -0.018 -12.922 1.00 74.11 H new ATOM 0 HG SER A 124 6.233 0.053 -13.239 1.00 1.02 H new ATOM 1943 N PHE A 125 2.830 -2.778 -12.187 1.00 2.31 N ATOM 1944 CA PHE A 125 2.855 -3.778 -11.081 1.00 53.25 C ATOM 1945 C PHE A 125 1.682 -4.781 -11.179 1.00 4.44 C ATOM 1946 O PHE A 125 1.681 -5.799 -10.492 1.00 13.12 O ATOM 1947 CB PHE A 125 2.795 -3.067 -9.702 1.00 41.50 C ATOM 1948 CG PHE A 125 3.944 -2.092 -9.422 1.00 62.55 C ATOM 1949 CD1 PHE A 125 5.151 -2.543 -8.891 1.00 24.03 C ATOM 1950 CD2 PHE A 125 3.804 -0.722 -9.658 1.00 1.51 C ATOM 1951 CE1 PHE A 125 6.180 -1.659 -8.614 1.00 14.24 C ATOM 1952 CE2 PHE A 125 4.834 0.159 -9.385 1.00 64.13 C ATOM 1953 CZ PHE A 125 6.021 -0.310 -8.856 1.00 5.44 C ATOM 0 H PHE A 125 2.075 -2.097 -12.111 1.00 2.31 H new ATOM 0 HA PHE A 125 3.790 -4.330 -11.177 1.00 53.25 H new ATOM 0 HB2 PHE A 125 1.853 -2.523 -9.632 1.00 41.50 H new ATOM 0 HB3 PHE A 125 2.784 -3.826 -8.920 1.00 41.50 H new ATOM 0 HD1 PHE A 125 5.286 -3.596 -8.693 1.00 24.03 H new ATOM 0 HD2 PHE A 125 2.875 -0.345 -10.060 1.00 1.51 H new ATOM 0 HE1 PHE A 125 7.110 -2.027 -8.207 1.00 14.24 H new ATOM 0 HE2 PHE A 125 4.711 1.213 -9.585 1.00 64.13 H new ATOM 0 HZ PHE A 125 6.823 0.378 -8.632 1.00 5.44 H new ATOM 1963 N GLY A 126 0.682 -4.483 -12.028 1.00 24.51 N ATOM 1964 CA GLY A 126 -0.513 -5.342 -12.144 1.00 41.41 C ATOM 1965 C GLY A 126 -1.295 -5.507 -10.826 1.00 21.22 C ATOM 1966 O GLY A 126 -1.089 -4.754 -9.863 1.00 32.31 O ATOM 0 H GLY A 126 0.675 -3.665 -12.637 1.00 24.51 H new ATOM 0 HA2 GLY A 126 -1.178 -4.923 -12.899 1.00 41.41 H new ATOM 0 HA3 GLY A 126 -0.208 -6.326 -12.499 1.00 41.41 H new ATOM 1970 N ASP A 127 -2.266 -6.427 -10.815 1.00 25.41 N ATOM 1971 CA ASP A 127 -2.963 -6.847 -9.575 1.00 51.33 C ATOM 1972 C ASP A 127 -2.235 -8.039 -8.891 1.00 62.42 C ATOM 1973 O ASP A 127 -2.520 -8.369 -7.736 1.00 1.14 O ATOM 1974 CB ASP A 127 -4.457 -7.175 -9.868 1.00 3.30 C ATOM 1975 CG ASP A 127 -4.660 -8.365 -10.820 1.00 3.13 C ATOM 1976 OD1 ASP A 127 -4.195 -8.291 -11.976 1.00 61.33 O ATOM 1977 OD2 ASP A 127 -5.281 -9.377 -10.417 1.00 13.53 O ATOM 0 H ASP A 127 -2.596 -6.904 -11.654 1.00 25.41 H new ATOM 0 HA ASP A 127 -2.937 -6.014 -8.873 1.00 51.33 H new ATOM 0 HB2 ASP A 127 -4.964 -7.386 -8.926 1.00 3.30 H new ATOM 0 HB3 ASP A 127 -4.935 -6.294 -10.297 1.00 3.30 H new ATOM 1982 N ASN A 128 -1.296 -8.683 -9.624 1.00 3.22 N ATOM 1983 CA ASN A 128 -0.624 -9.934 -9.179 1.00 63.12 C ATOM 1984 C ASN A 128 0.801 -9.715 -8.610 1.00 72.11 C ATOM 1985 O ASN A 128 1.277 -10.542 -7.831 1.00 53.13 O ATOM 1986 CB ASN A 128 -0.578 -10.957 -10.349 1.00 1.45 C ATOM 1987 CG ASN A 128 -1.952 -11.278 -10.965 1.00 32.30 C ATOM 1988 OD1 ASN A 128 -2.052 -11.563 -12.153 1.00 34.30 O ATOM 1989 ND2 ASN A 128 -3.017 -11.242 -10.185 1.00 42.33 N ATOM 0 H ASN A 128 -0.982 -8.354 -10.537 1.00 3.22 H new ATOM 0 HA ASN A 128 -1.222 -10.324 -8.356 1.00 63.12 H new ATOM 0 HB2 ASN A 128 0.075 -10.569 -11.130 1.00 1.45 H new ATOM 0 HB3 ASN A 128 -0.129 -11.883 -9.989 1.00 1.45 H new ATOM 0 HD21 ASN A 128 -3.938 -11.453 -10.569 1.00 42.33 H new ATOM 0 HD22 ASN A 128 -2.919 -11.003 -9.198 1.00 42.33 H new ATOM 1996 N VAL A 129 1.487 -8.621 -8.989 1.00 33.22 N ATOM 1997 CA VAL A 129 2.886 -8.363 -8.542 1.00 40.22 C ATOM 1998 C VAL A 129 2.905 -7.351 -7.365 1.00 61.12 C ATOM 1999 O VAL A 129 2.134 -6.386 -7.346 1.00 0.33 O ATOM 2000 CB VAL A 129 3.808 -7.843 -9.716 1.00 53.14 C ATOM 2001 CG1 VAL A 129 5.292 -7.706 -9.277 1.00 3.51 C ATOM 2002 CG2 VAL A 129 3.674 -8.737 -10.976 1.00 4.41 C ATOM 0 H VAL A 129 1.106 -7.899 -9.601 1.00 33.22 H new ATOM 0 HA VAL A 129 3.291 -9.318 -8.206 1.00 40.22 H new ATOM 0 HB VAL A 129 3.459 -6.844 -9.976 1.00 53.14 H new ATOM 0 HG11 VAL A 129 5.888 -7.346 -10.116 1.00 3.51 H new ATOM 0 HG12 VAL A 129 5.363 -6.998 -8.451 1.00 3.51 H new ATOM 0 HG13 VAL A 129 5.668 -8.678 -8.956 1.00 3.51 H new ATOM 0 HG21 VAL A 129 4.320 -8.353 -11.765 1.00 4.41 H new ATOM 0 HG22 VAL A 129 3.968 -9.758 -10.731 1.00 4.41 H new ATOM 0 HG23 VAL A 129 2.639 -8.730 -11.319 1.00 4.41 H new ATOM 2012 N VAL A 130 3.797 -7.605 -6.393 1.00 3.24 N ATOM 2013 CA VAL A 130 3.987 -6.760 -5.197 1.00 62.22 C ATOM 2014 C VAL A 130 4.797 -5.485 -5.566 1.00 73.11 C ATOM 2015 O VAL A 130 5.808 -5.588 -6.281 1.00 43.23 O ATOM 2016 CB VAL A 130 4.763 -7.551 -4.061 1.00 25.44 C ATOM 2017 CG1 VAL A 130 4.939 -6.704 -2.769 1.00 1.03 C ATOM 2018 CG2 VAL A 130 4.074 -8.900 -3.742 1.00 3.02 C ATOM 0 H VAL A 130 4.417 -8.415 -6.414 1.00 3.24 H new ATOM 0 HA VAL A 130 3.001 -6.480 -4.826 1.00 62.22 H new ATOM 0 HB VAL A 130 5.759 -7.759 -4.451 1.00 25.44 H new ATOM 0 HG11 VAL A 130 5.475 -7.288 -2.021 1.00 1.03 H new ATOM 0 HG12 VAL A 130 5.506 -5.802 -3.000 1.00 1.03 H new ATOM 0 HG13 VAL A 130 3.959 -6.427 -2.379 1.00 1.03 H new ATOM 0 HG21 VAL A 130 4.630 -9.417 -2.960 1.00 3.02 H new ATOM 0 HG22 VAL A 130 3.055 -8.717 -3.401 1.00 3.02 H new ATOM 0 HG23 VAL A 130 4.051 -9.518 -4.640 1.00 3.02 H new ATOM 2028 N PRO A 131 4.358 -4.262 -5.105 1.00 25.20 N ATOM 2029 CA PRO A 131 5.166 -3.022 -5.222 1.00 11.24 C ATOM 2030 C PRO A 131 6.575 -3.180 -4.593 1.00 13.32 C ATOM 2031 O PRO A 131 6.720 -3.735 -3.497 1.00 42.31 O ATOM 2032 CB PRO A 131 4.317 -1.952 -4.470 1.00 32.32 C ATOM 2033 CG PRO A 131 3.345 -2.743 -3.650 1.00 22.33 C ATOM 2034 CD PRO A 131 3.044 -3.976 -4.468 1.00 20.41 C ATOM 0 HA PRO A 131 5.360 -2.753 -6.260 1.00 11.24 H new ATOM 0 HB2 PRO A 131 4.944 -1.321 -3.840 1.00 32.32 H new ATOM 0 HB3 PRO A 131 3.801 -1.293 -5.169 1.00 32.32 H new ATOM 0 HG2 PRO A 131 3.771 -3.007 -2.682 1.00 22.33 H new ATOM 0 HG3 PRO A 131 2.439 -2.170 -3.454 1.00 22.33 H new ATOM 0 HD2 PRO A 131 2.705 -4.804 -3.846 1.00 20.41 H new ATOM 0 HD3 PRO A 131 2.265 -3.793 -5.208 1.00 20.41 H new ATOM 2042 N TYR A 132 7.603 -2.734 -5.320 1.00 25.04 N ATOM 2043 CA TYR A 132 9.008 -2.781 -4.859 1.00 44.12 C ATOM 2044 C TYR A 132 9.603 -1.361 -4.755 1.00 4.51 C ATOM 2045 O TYR A 132 9.170 -0.428 -5.446 1.00 11.41 O ATOM 2046 CB TYR A 132 9.865 -3.707 -5.777 1.00 11.33 C ATOM 2047 CG TYR A 132 9.640 -3.525 -7.292 1.00 24.22 C ATOM 2048 CD1 TYR A 132 10.203 -2.454 -7.993 1.00 61.14 C ATOM 2049 CD2 TYR A 132 8.854 -4.431 -8.016 1.00 63.43 C ATOM 2050 CE1 TYR A 132 9.995 -2.297 -9.349 1.00 12.13 C ATOM 2051 CE2 TYR A 132 8.647 -4.277 -9.370 1.00 3.15 C ATOM 2052 CZ TYR A 132 9.216 -3.211 -10.032 1.00 53.23 C ATOM 2053 OH TYR A 132 9.010 -3.058 -11.386 1.00 12.42 O ATOM 0 H TYR A 132 7.492 -2.327 -6.249 1.00 25.04 H new ATOM 0 HA TYR A 132 9.026 -3.212 -3.858 1.00 44.12 H new ATOM 0 HB2 TYR A 132 10.919 -3.532 -5.559 1.00 11.33 H new ATOM 0 HB3 TYR A 132 9.654 -4.744 -5.517 1.00 11.33 H new ATOM 0 HD1 TYR A 132 10.812 -1.736 -7.464 1.00 61.14 H new ATOM 0 HD2 TYR A 132 8.401 -5.267 -7.503 1.00 63.43 H new ATOM 0 HE1 TYR A 132 10.439 -1.464 -9.873 1.00 12.13 H new ATOM 0 HE2 TYR A 132 8.041 -4.989 -9.910 1.00 3.15 H new ATOM 0 HH TYR A 132 8.441 -3.785 -11.715 1.00 12.42 H new ATOM 2063 N PHE A 133 10.602 -1.228 -3.877 1.00 74.24 N ATOM 2064 CA PHE A 133 11.265 0.054 -3.569 1.00 72.33 C ATOM 2065 C PHE A 133 12.145 0.521 -4.764 1.00 34.30 C ATOM 2066 O PHE A 133 12.640 -0.306 -5.539 1.00 60.44 O ATOM 2067 CB PHE A 133 12.104 -0.124 -2.269 1.00 70.53 C ATOM 2068 CG PHE A 133 12.330 1.153 -1.458 1.00 63.42 C ATOM 2069 CD1 PHE A 133 11.243 1.855 -0.935 1.00 14.15 C ATOM 2070 CD2 PHE A 133 13.610 1.637 -1.190 1.00 75.13 C ATOM 2071 CE1 PHE A 133 11.429 2.995 -0.179 1.00 5.41 C ATOM 2072 CE2 PHE A 133 13.793 2.775 -0.428 1.00 25.30 C ATOM 2073 CZ PHE A 133 12.702 3.454 0.076 1.00 60.14 C ATOM 0 H PHE A 133 10.982 -2.015 -3.351 1.00 74.24 H new ATOM 0 HA PHE A 133 10.519 0.832 -3.407 1.00 72.33 H new ATOM 0 HB2 PHE A 133 11.607 -0.856 -1.633 1.00 70.53 H new ATOM 0 HB3 PHE A 133 13.075 -0.541 -2.537 1.00 70.53 H new ATOM 0 HD1 PHE A 133 10.241 1.501 -1.125 1.00 14.15 H new ATOM 0 HD2 PHE A 133 14.470 1.115 -1.583 1.00 75.13 H new ATOM 0 HE1 PHE A 133 10.575 3.528 0.213 1.00 5.41 H new ATOM 0 HE2 PHE A 133 14.791 3.134 -0.226 1.00 25.30 H new ATOM 0 HZ PHE A 133 12.847 4.344 0.670 1.00 60.14 H new ATOM 2083 N ARG A 134 12.318 1.850 -4.922 1.00 52.44 N ATOM 2084 CA ARG A 134 13.102 2.433 -6.046 1.00 74.42 C ATOM 2085 C ARG A 134 14.503 2.928 -5.591 1.00 63.01 C ATOM 2086 O ARG A 134 15.132 3.741 -6.279 1.00 11.33 O ATOM 2087 CB ARG A 134 12.283 3.576 -6.720 1.00 72.05 C ATOM 2088 CG ARG A 134 10.900 3.145 -7.300 1.00 3.43 C ATOM 2089 CD ARG A 134 10.991 2.263 -8.572 1.00 44.43 C ATOM 2090 NE ARG A 134 11.640 0.951 -8.336 1.00 42.11 N ATOM 2091 CZ ARG A 134 12.560 0.401 -9.109 1.00 73.24 C ATOM 2092 NH1 ARG A 134 12.983 0.999 -10.178 1.00 62.12 N ATOM 2093 NH2 ARG A 134 13.073 -0.739 -8.793 1.00 3.21 N ATOM 0 H ARG A 134 11.927 2.546 -4.287 1.00 52.44 H new ATOM 0 HA ARG A 134 13.281 1.646 -6.779 1.00 74.42 H new ATOM 0 HB2 ARG A 134 12.122 4.367 -5.988 1.00 72.05 H new ATOM 0 HB3 ARG A 134 12.880 4.004 -7.525 1.00 72.05 H new ATOM 0 HG2 ARG A 134 10.351 2.600 -6.532 1.00 3.43 H new ATOM 0 HG3 ARG A 134 10.321 4.039 -7.532 1.00 3.43 H new ATOM 0 HD2 ARG A 134 9.987 2.098 -8.963 1.00 44.43 H new ATOM 0 HD3 ARG A 134 11.547 2.802 -9.339 1.00 44.43 H new ATOM 0 HE ARG A 134 11.352 0.429 -7.508 1.00 42.11 H new ATOM 0 HH11 ARG A 134 12.605 1.911 -10.436 1.00 62.12 H new ATOM 0 HH12 ARG A 134 13.694 0.558 -10.762 1.00 62.12 H new ATOM 0 HH21 ARG A 134 12.769 -1.218 -7.945 1.00 3.21 H new ATOM 0 HH22 ARG A 134 13.783 -1.162 -9.391 1.00 3.21 H new ATOM 2107 N GLY A 135 14.999 2.392 -4.451 1.00 0.54 N ATOM 2108 CA GLY A 135 16.352 2.704 -3.946 1.00 35.42 C ATOM 2109 C GLY A 135 16.511 4.149 -3.459 1.00 33.44 C ATOM 2110 O GLY A 135 17.025 5.004 -4.187 1.00 54.53 O ATOM 0 H GLY A 135 14.479 1.740 -3.864 1.00 0.54 H new ATOM 0 HA2 GLY A 135 16.589 2.026 -3.126 1.00 35.42 H new ATOM 0 HA3 GLY A 135 17.078 2.515 -4.737 1.00 35.42 H new ATOM 2114 N LEU A 136 16.067 4.419 -2.222 1.00 3.41 N ATOM 2115 CA LEU A 136 16.089 5.778 -1.624 1.00 54.13 C ATOM 2116 C LEU A 136 16.896 5.815 -0.311 1.00 25.13 C ATOM 2117 O LEU A 136 17.130 4.785 0.323 1.00 42.33 O ATOM 2118 CB LEU A 136 14.647 6.269 -1.333 1.00 42.05 C ATOM 2119 CG LEU A 136 13.669 6.343 -2.547 1.00 4.23 C ATOM 2120 CD1 LEU A 136 12.262 6.752 -2.082 1.00 44.01 C ATOM 2121 CD2 LEU A 136 14.194 7.295 -3.653 1.00 1.41 C ATOM 0 H LEU A 136 15.681 3.707 -1.602 1.00 3.41 H new ATOM 0 HA LEU A 136 16.569 6.434 -2.350 1.00 54.13 H new ATOM 0 HB2 LEU A 136 14.209 5.610 -0.584 1.00 42.05 H new ATOM 0 HB3 LEU A 136 14.710 7.261 -0.887 1.00 42.05 H new ATOM 0 HG LEU A 136 13.609 5.347 -2.986 1.00 4.23 H new ATOM 0 HD11 LEU A 136 11.594 6.798 -2.942 1.00 44.01 H new ATOM 0 HD12 LEU A 136 11.886 6.017 -1.370 1.00 44.01 H new ATOM 0 HD13 LEU A 136 12.307 7.731 -1.604 1.00 44.01 H new ATOM 0 HD21 LEU A 136 13.484 7.318 -4.480 1.00 1.41 H new ATOM 0 HD22 LEU A 136 14.308 8.299 -3.245 1.00 1.41 H new ATOM 0 HD23 LEU A 136 15.159 6.938 -4.013 1.00 1.41 H new ATOM 2133 N GLU A 137 17.291 7.028 0.097 1.00 33.12 N ATOM 2134 CA GLU A 137 17.953 7.278 1.397 1.00 41.32 C ATOM 2135 C GLU A 137 16.890 7.430 2.535 1.00 3.11 C ATOM 2136 O GLU A 137 15.683 7.322 2.285 1.00 44.44 O ATOM 2137 CB GLU A 137 18.873 8.556 1.273 1.00 52.12 C ATOM 2138 CG GLU A 137 20.364 8.342 1.637 1.00 22.41 C ATOM 2139 CD GLU A 137 20.580 7.950 3.106 1.00 52.52 C ATOM 2140 OE1 GLU A 137 20.366 8.810 3.989 1.00 62.01 O ATOM 2141 OE2 GLU A 137 20.906 6.779 3.394 1.00 22.53 O ATOM 0 H GLU A 137 17.163 7.871 -0.463 1.00 33.12 H new ATOM 0 HA GLU A 137 18.581 6.427 1.662 1.00 41.32 H new ATOM 0 HB2 GLU A 137 18.816 8.925 0.249 1.00 52.12 H new ATOM 0 HB3 GLU A 137 18.468 9.337 1.916 1.00 52.12 H new ATOM 0 HG2 GLU A 137 20.779 7.565 0.996 1.00 22.41 H new ATOM 0 HG3 GLU A 137 20.917 9.258 1.427 1.00 22.41 H new ATOM 2148 N HIS A 138 17.369 7.632 3.787 1.00 63.50 N ATOM 2149 CA HIS A 138 16.525 7.951 4.974 1.00 52.10 C ATOM 2150 C HIS A 138 15.615 6.765 5.404 1.00 22.21 C ATOM 2151 O HIS A 138 14.414 6.732 5.102 1.00 24.14 O ATOM 2152 CB HIS A 138 15.702 9.259 4.756 1.00 64.03 C ATOM 2153 CG HIS A 138 16.529 10.483 4.436 1.00 64.21 C ATOM 2154 ND1 HIS A 138 17.910 10.510 4.455 1.00 15.42 N ATOM 2155 CD2 HIS A 138 16.148 11.729 4.074 1.00 24.35 C ATOM 2156 CE1 HIS A 138 18.328 11.709 4.121 1.00 41.13 C ATOM 2157 NE2 HIS A 138 17.285 12.467 3.885 1.00 62.03 N ATOM 0 H HIS A 138 18.363 7.578 4.008 1.00 63.50 H new ATOM 0 HA HIS A 138 17.212 8.125 5.803 1.00 52.10 H new ATOM 0 HB2 HIS A 138 14.993 9.094 3.944 1.00 64.03 H new ATOM 0 HB3 HIS A 138 15.117 9.458 5.654 1.00 64.03 H new ATOM 0 HD1 HIS A 138 18.512 9.721 4.692 1.00 15.42 H new ATOM 0 HD2 HIS A 138 15.133 12.078 3.956 1.00 24.35 H new ATOM 0 HE1 HIS A 138 19.360 12.019 4.052 1.00 41.13 H new ATOM 2166 N HIS A 139 16.229 5.781 6.092 1.00 43.43 N ATOM 2167 CA HIS A 139 15.535 4.587 6.635 1.00 21.12 C ATOM 2168 C HIS A 139 16.323 4.006 7.839 1.00 54.25 C ATOM 2169 O HIS A 139 17.425 3.475 7.674 1.00 61.41 O ATOM 2170 CB HIS A 139 15.308 3.519 5.516 1.00 13.11 C ATOM 2171 CG HIS A 139 16.516 3.230 4.650 1.00 72.12 C ATOM 2172 ND1 HIS A 139 17.508 2.346 5.013 1.00 61.43 N ATOM 2173 CD2 HIS A 139 16.879 3.710 3.432 1.00 72.04 C ATOM 2174 CE1 HIS A 139 18.423 2.293 4.067 1.00 54.02 C ATOM 2175 NE2 HIS A 139 18.068 3.110 3.096 1.00 10.55 N ATOM 0 H HIS A 139 17.230 5.789 6.290 1.00 43.43 H new ATOM 0 HA HIS A 139 14.552 4.887 6.997 1.00 21.12 H new ATOM 0 HB2 HIS A 139 14.984 2.589 5.983 1.00 13.11 H new ATOM 0 HB3 HIS A 139 14.493 3.854 4.875 1.00 13.11 H new ATOM 0 HD2 HIS A 139 16.334 4.429 2.839 1.00 72.04 H new ATOM 0 HE1 HIS A 139 19.314 1.683 4.084 1.00 54.02 H new ATOM 0 HE2 HIS A 139 18.591 3.271 2.235 1.00 10.55 H new ATOM 2184 N HIS A 140 15.769 4.170 9.063 1.00 5.45 N ATOM 2185 CA HIS A 140 16.404 3.714 10.336 1.00 24.52 C ATOM 2186 C HIS A 140 15.333 3.219 11.344 1.00 51.21 C ATOM 2187 O HIS A 140 14.166 3.626 11.272 1.00 60.24 O ATOM 2188 CB HIS A 140 17.239 4.864 10.979 1.00 64.42 C ATOM 2189 CG HIS A 140 18.390 5.351 10.130 1.00 40.34 C ATOM 2190 ND1 HIS A 140 19.543 4.619 9.934 1.00 1.51 N ATOM 2191 CD2 HIS A 140 18.546 6.483 9.395 1.00 50.21 C ATOM 2192 CE1 HIS A 140 20.348 5.270 9.123 1.00 73.13 C ATOM 2193 NE2 HIS A 140 19.769 6.401 8.783 1.00 33.43 N ATOM 0 H HIS A 140 14.866 4.623 9.203 1.00 5.45 H new ATOM 0 HA HIS A 140 17.069 2.884 10.096 1.00 24.52 H new ATOM 0 HB2 HIS A 140 16.577 5.704 11.188 1.00 64.42 H new ATOM 0 HB3 HIS A 140 17.630 4.521 11.937 1.00 64.42 H new ATOM 0 HD2 HIS A 140 17.839 7.295 9.309 1.00 50.21 H new ATOM 0 HE1 HIS A 140 21.319 4.933 8.792 1.00 73.13 H new ATOM 0 HE2 HIS A 140 20.167 7.105 8.162 1.00 33.43 H new ATOM 2202 N HIS A 141 15.742 2.349 12.297 1.00 33.41 N ATOM 2203 CA HIS A 141 14.825 1.799 13.326 1.00 40.33 C ATOM 2204 C HIS A 141 14.873 2.611 14.645 1.00 51.24 C ATOM 2205 O HIS A 141 15.881 2.571 15.350 1.00 22.11 O ATOM 2206 CB HIS A 141 15.136 0.302 13.627 1.00 13.43 C ATOM 2207 CG HIS A 141 14.215 -0.307 14.671 1.00 42.33 C ATOM 2208 ND1 HIS A 141 13.029 -0.959 14.556 1.00 1.03 N flip ATOM 2209 CD2 HIS A 141 14.455 -0.214 16.027 1.00 1.44 C flip ATOM 2210 CE1 HIS A 141 12.591 -1.228 15.830 1.00 40.32 C flip ATOM 2211 NE2 HIS A 141 13.468 -0.771 16.692 1.00 11.24 N flip ATOM 0 H HIS A 141 16.702 2.012 12.375 1.00 33.41 H new ATOM 0 HA HIS A 141 13.820 1.877 12.910 1.00 40.33 H new ATOM 0 HB2 HIS A 141 15.055 -0.271 12.703 1.00 13.43 H new ATOM 0 HB3 HIS A 141 16.168 0.214 13.968 1.00 13.43 H new ATOM 0 HD2 HIS A 141 15.323 0.247 16.474 1.00 1.44 H new ATOM 0 HE1 HIS A 141 11.671 -1.735 16.082 1.00 40.32 H new ATOM 0 HE2 HIS A 141 13.396 -0.837 17.707 1.00 11.24 H new ATOM 2220 N HIS A 142 13.769 3.331 14.940 1.00 52.31 N ATOM 2221 CA HIS A 142 13.449 3.863 16.285 1.00 11.34 C ATOM 2222 C HIS A 142 12.040 4.532 16.238 1.00 1.41 C ATOM 2223 O HIS A 142 11.041 3.855 16.501 1.00 31.42 O ATOM 2224 CB HIS A 142 14.548 4.831 16.836 1.00 64.51 C ATOM 2225 CG HIS A 142 14.436 5.101 18.309 1.00 63.01 C ATOM 2226 ND1 HIS A 142 14.635 4.125 19.263 1.00 51.24 N ATOM 2227 CD2 HIS A 142 14.132 6.226 18.993 1.00 5.33 C ATOM 2228 CE1 HIS A 142 14.452 4.635 20.461 1.00 2.43 C ATOM 2229 NE2 HIS A 142 14.148 5.906 20.327 1.00 12.24 N ATOM 0 H HIS A 142 13.064 3.563 14.241 1.00 52.31 H new ATOM 0 HA HIS A 142 13.430 3.033 16.991 1.00 11.34 H new ATOM 0 HB2 HIS A 142 15.530 4.406 16.628 1.00 64.51 H new ATOM 0 HB3 HIS A 142 14.489 5.777 16.297 1.00 64.51 H new ATOM 0 HD2 HIS A 142 13.917 7.196 18.569 1.00 5.33 H new ATOM 0 HE1 HIS A 142 14.537 4.100 21.396 1.00 2.43 H new ATOM 0 HE2 HIS A 142 13.955 6.552 21.093 1.00 12.24 H new ATOM 2238 N HIS A 143 11.978 5.852 15.888 1.00 42.14 N ATOM 2239 CA HIS A 143 10.710 6.587 15.579 1.00 62.32 C ATOM 2240 C HIS A 143 11.008 8.047 15.168 1.00 53.53 C ATOM 2241 O HIS A 143 11.726 8.778 15.863 1.00 53.21 O ATOM 2242 CB HIS A 143 9.669 6.551 16.747 1.00 42.11 C ATOM 2243 CG HIS A 143 10.075 7.249 18.030 1.00 4.41 C ATOM 2244 ND1 HIS A 143 9.680 8.532 18.343 1.00 44.43 N ATOM 2245 CD2 HIS A 143 10.813 6.828 19.085 1.00 23.44 C ATOM 2246 CE1 HIS A 143 10.154 8.869 19.520 1.00 55.43 C ATOM 2247 NE2 HIS A 143 10.843 7.858 19.994 1.00 3.33 N ATOM 0 H HIS A 143 12.809 6.439 15.812 1.00 42.14 H new ATOM 0 HA HIS A 143 10.253 6.061 14.741 1.00 62.32 H new ATOM 0 HB2 HIS A 143 8.741 7.000 16.392 1.00 42.11 H new ATOM 0 HB3 HIS A 143 9.451 5.509 16.979 1.00 42.11 H new ATOM 0 HD2 HIS A 143 11.288 5.864 19.192 1.00 23.44 H new ATOM 0 HE1 HIS A 143 10.003 9.817 20.014 1.00 55.43 H new ATOM 0 HE2 HIS A 143 11.324 7.840 20.893 1.00 3.33 H new TER 2256 HIS A 143