USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 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 106 SER OG : rot 180:sc= -0.415 USER MOD Set 1.2: A 110 THR OG1 : rot -140:sc= 0 USER MOD Set 2.1: A 84 THR OG1 : rot -151:sc= 1.24 USER MOD Set 2.2: A 108 ASN : amide:sc= 0.906 X(o=2.1,f=2.1) USER MOD Set 3.1: A 65 GLN : amide:sc= -0.495 X(o=-1.7,f=-1.7) USER MOD Set 3.2: A 68 THR OG1 : rot 66:sc= -1.15! USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00342 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.104 (180deg=-0.537) USER MOD Single : A 56 ASN : amide:sc= -2.47 K(o=-2.5,f=-3!) USER MOD Single : A 67 THR OG1 : rot -152:sc= 0.552 USER MOD Single : A 69 THR OG1 : rot -85:sc= 1.18 USER MOD Single : A 73 HIS : no HE2:sc= 0.304 K(o=0.3,f=-1.8) USER MOD Single : A 76 SER OG : rot 95:sc= 0.817 USER MOD Single : A 86 SER OG : rot -174:sc= -2.34! USER MOD Single : A 89 HIS : no HD1:sc= -0.599 K(o=-0.6,f=-3.1!) USER MOD Single : A 95 ASN : amide:sc= -0.33 K(o=-0.33,f=-1.9) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.457 K(o=0.46,f=-7.8!) USER MOD Single : A 118 ASN : amide:sc= 0.52 K(o=0.52,f=-0.056) USER MOD Single : A 120 GLN : amide:sc= -1.51! C(o=-1.5!,f=-7.3!) USER MOD Single : A 122 MET CE :methyl -163:sc= -0.0481 (180deg=-0.388) USER MOD Single : A 123 GLN : amide:sc= 0.0526 X(o=0.053,f=-0.029) USER MOD Single : A 124 THR OG1 : rot -160:sc= 0.824 USER MOD Single : A 129 GLN : amide:sc= 1.85 K(o=1.8,f=-5.5!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 74.978 55.313 35.938 1.00 44.50 N ATOM 58 CA ASN A 5 75.210 54.632 34.681 1.00 4.15 C ATOM 59 C ASN A 5 74.051 54.914 33.745 1.00 22.53 C ATOM 60 O ASN A 5 72.926 55.221 34.197 1.00 51.33 O ATOM 61 CB ASN A 5 75.356 53.104 34.887 1.00 72.40 C ATOM 62 CG ASN A 5 74.103 52.434 35.464 1.00 61.45 C ATOM 63 OD1 ASN A 5 73.209 51.996 34.724 1.00 45.52 O ATOM 64 ND2 ASN A 5 74.048 52.321 36.768 1.00 41.31 N ATOM 0 HA ASN A 5 76.141 55.002 34.251 1.00 4.15 H new ATOM 0 HB2 ASN A 5 75.597 52.639 33.931 1.00 72.40 H new ATOM 0 HB3 ASN A 5 76.197 52.916 35.554 1.00 72.40 H new ATOM 0 HD21 ASN A 5 73.251 51.860 37.207 1.00 41.31 H new ATOM 0 HD22 ASN A 5 74.802 52.694 37.344 1.00 41.31 H new ATOM 71 N GLY A 6 74.299 54.836 32.479 1.00 51.33 N ATOM 72 CA GLY A 6 73.267 55.070 31.530 1.00 32.45 C ATOM 73 C GLY A 6 72.433 53.844 31.342 1.00 74.32 C ATOM 74 O GLY A 6 72.926 52.719 31.511 1.00 3.50 O ATOM 0 H GLY A 6 75.210 54.611 32.079 1.00 51.33 H new ATOM 0 HA2 GLY A 6 72.639 55.895 31.865 1.00 32.45 H new ATOM 0 HA3 GLY A 6 73.704 55.368 30.577 1.00 32.45 H new ATOM 78 N THR A 7 71.180 54.040 31.042 1.00 75.24 N ATOM 79 CA THR A 7 70.287 52.955 30.764 1.00 34.03 C ATOM 80 C THR A 7 70.807 52.240 29.498 1.00 14.24 C ATOM 81 O THR A 7 71.310 52.919 28.596 1.00 43.52 O ATOM 82 CB THR A 7 68.879 53.537 30.488 1.00 13.32 C ATOM 83 OG1 THR A 7 68.547 54.484 31.524 1.00 30.50 O ATOM 84 CG2 THR A 7 67.821 52.444 30.467 1.00 14.14 C ATOM 0 H THR A 7 70.749 54.963 30.984 1.00 75.24 H new ATOM 0 HA THR A 7 70.234 52.258 31.600 1.00 34.03 H new ATOM 0 HB THR A 7 68.897 54.021 29.512 1.00 13.32 H new ATOM 0 HG1 THR A 7 67.657 54.857 31.353 1.00 30.50 H new ATOM 0 HG21 THR A 7 66.844 52.887 30.271 1.00 14.14 H new ATOM 0 HG22 THR A 7 68.057 51.724 29.683 1.00 14.14 H new ATOM 0 HG23 THR A 7 67.802 51.937 31.432 1.00 14.14 H new ATOM 92 N PRO A 8 70.773 50.884 29.440 1.00 71.21 N ATOM 93 CA PRO A 8 71.206 50.139 28.254 1.00 24.20 C ATOM 94 C PRO A 8 70.524 50.682 27.011 1.00 53.44 C ATOM 95 O PRO A 8 69.304 50.954 27.022 1.00 40.55 O ATOM 96 CB PRO A 8 70.725 48.717 28.532 1.00 11.44 C ATOM 97 CG PRO A 8 70.693 48.616 30.014 1.00 35.23 C ATOM 98 CD PRO A 8 70.358 49.984 30.532 1.00 45.41 C ATOM 0 HA PRO A 8 72.280 50.205 28.079 1.00 24.20 H new ATOM 0 HB2 PRO A 8 69.739 48.540 28.101 1.00 11.44 H new ATOM 0 HB3 PRO A 8 71.399 47.978 28.099 1.00 11.44 H new ATOM 0 HG2 PRO A 8 69.949 47.887 30.336 1.00 35.23 H new ATOM 0 HG3 PRO A 8 71.656 48.281 30.400 1.00 35.23 H new ATOM 0 HD2 PRO A 8 69.294 50.081 30.748 1.00 45.41 H new ATOM 0 HD3 PRO A 8 70.892 50.204 31.456 1.00 45.41 H new ATOM 106 N GLU A 9 71.281 50.825 25.955 1.00 21.42 N ATOM 107 CA GLU A 9 70.792 51.437 24.743 1.00 41.41 C ATOM 108 C GLU A 9 69.757 50.541 24.084 1.00 3.14 C ATOM 109 O GLU A 9 69.869 49.314 24.186 1.00 34.41 O ATOM 110 CB GLU A 9 71.966 51.720 23.799 1.00 22.40 C ATOM 111 CG GLU A 9 72.825 50.500 23.492 1.00 11.43 C ATOM 112 CD GLU A 9 74.003 50.829 22.631 1.00 75.33 C ATOM 113 OE1 GLU A 9 75.067 51.180 23.163 1.00 15.20 O ATOM 114 OE2 GLU A 9 73.893 50.745 21.389 1.00 11.13 O ATOM 0 H GLU A 9 72.254 50.521 25.909 1.00 21.42 H new ATOM 0 HA GLU A 9 70.308 52.384 24.983 1.00 41.41 H new ATOM 0 HB2 GLU A 9 71.577 52.122 22.863 1.00 22.40 H new ATOM 0 HB3 GLU A 9 72.595 52.492 24.241 1.00 22.40 H new ATOM 0 HG2 GLU A 9 73.174 50.061 24.427 1.00 11.43 H new ATOM 0 HG3 GLU A 9 72.215 49.746 22.994 1.00 11.43 H new ATOM 121 N PRO A 10 68.697 51.163 23.465 1.00 62.24 N ATOM 122 CA PRO A 10 67.571 50.467 22.830 1.00 3.11 C ATOM 123 C PRO A 10 67.967 49.186 22.115 1.00 60.11 C ATOM 124 O PRO A 10 68.734 49.201 21.144 1.00 53.13 O ATOM 125 CB PRO A 10 67.011 51.490 21.829 1.00 24.24 C ATOM 126 CG PRO A 10 67.776 52.768 22.059 1.00 53.13 C ATOM 127 CD PRO A 10 68.514 52.615 23.358 1.00 21.11 C ATOM 0 HA PRO A 10 66.849 50.144 23.580 1.00 3.11 H new ATOM 0 HB2 PRO A 10 67.137 51.140 20.804 1.00 24.24 H new ATOM 0 HB3 PRO A 10 65.943 51.642 21.985 1.00 24.24 H new ATOM 0 HG2 PRO A 10 68.472 52.953 21.241 1.00 53.13 H new ATOM 0 HG3 PRO A 10 67.098 53.620 22.100 1.00 53.13 H new ATOM 0 HD2 PRO A 10 69.468 53.142 23.345 1.00 21.11 H new ATOM 0 HD3 PRO A 10 67.942 53.013 24.196 1.00 21.11 H new ATOM 135 N GLN A 11 67.471 48.098 22.630 1.00 45.42 N ATOM 136 CA GLN A 11 67.738 46.784 22.123 1.00 11.04 C ATOM 137 C GLN A 11 66.532 46.362 21.332 1.00 64.23 C ATOM 138 O GLN A 11 65.430 46.892 21.553 1.00 74.23 O ATOM 139 CB GLN A 11 67.922 45.816 23.299 1.00 70.41 C ATOM 140 CG GLN A 11 68.949 46.274 24.319 1.00 54.44 C ATOM 141 CD GLN A 11 69.018 45.393 25.546 1.00 70.34 C ATOM 142 OE1 GLN A 11 68.036 44.776 25.947 1.00 75.32 O ATOM 143 NE2 GLN A 11 70.160 45.347 26.165 1.00 3.50 N ATOM 0 H GLN A 11 66.850 48.102 23.439 1.00 45.42 H new ATOM 0 HA GLN A 11 68.638 46.779 21.508 1.00 11.04 H new ATOM 0 HB2 GLN A 11 66.963 45.681 23.799 1.00 70.41 H new ATOM 0 HB3 GLN A 11 68.219 44.842 22.911 1.00 70.41 H new ATOM 0 HG2 GLN A 11 69.931 46.302 23.846 1.00 54.44 H new ATOM 0 HG3 GLN A 11 68.714 47.293 24.626 1.00 54.44 H new ATOM 0 HE21 GLN A 11 70.957 45.872 25.805 1.00 3.50 H new ATOM 0 HE22 GLN A 11 70.259 44.786 27.011 1.00 3.50 H new ATOM 152 N VAL A 12 66.704 45.459 20.425 1.00 51.12 N ATOM 153 CA VAL A 12 65.599 44.965 19.665 1.00 34.02 C ATOM 154 C VAL A 12 64.983 43.761 20.356 1.00 42.51 C ATOM 155 O VAL A 12 65.675 43.003 21.051 1.00 44.43 O ATOM 156 CB VAL A 12 65.994 44.595 18.220 1.00 64.21 C ATOM 157 CG1 VAL A 12 66.413 45.822 17.443 1.00 70.53 C ATOM 158 CG2 VAL A 12 67.099 43.550 18.194 1.00 25.25 C ATOM 0 H VAL A 12 67.605 45.044 20.189 1.00 51.12 H new ATOM 0 HA VAL A 12 64.867 45.771 19.606 1.00 34.02 H new ATOM 0 HB VAL A 12 65.113 44.166 17.743 1.00 64.21 H new ATOM 0 HG11 VAL A 12 66.686 45.534 16.428 1.00 70.53 H new ATOM 0 HG12 VAL A 12 65.586 46.531 17.409 1.00 70.53 H new ATOM 0 HG13 VAL A 12 67.269 46.287 17.931 1.00 70.53 H new ATOM 0 HG21 VAL A 12 67.352 43.313 17.160 1.00 25.25 H new ATOM 0 HG22 VAL A 12 67.980 43.940 18.703 1.00 25.25 H new ATOM 0 HG23 VAL A 12 66.758 42.647 18.700 1.00 25.25 H new ATOM 168 N GLU A 13 63.707 43.609 20.191 1.00 15.25 N ATOM 169 CA GLU A 13 62.992 42.494 20.731 1.00 44.44 C ATOM 170 C GLU A 13 62.708 41.521 19.599 1.00 3.04 C ATOM 171 O GLU A 13 62.460 41.943 18.460 1.00 22.13 O ATOM 172 CB GLU A 13 61.686 42.955 21.400 1.00 20.32 C ATOM 173 CG GLU A 13 60.876 41.834 22.051 1.00 40.04 C ATOM 174 CD GLU A 13 61.620 41.125 23.161 1.00 22.24 C ATOM 175 OE1 GLU A 13 62.453 40.236 22.877 1.00 24.41 O ATOM 176 OE2 GLU A 13 61.379 41.431 24.342 1.00 13.24 O ATOM 0 H GLU A 13 63.124 44.264 19.671 1.00 15.25 H new ATOM 0 HA GLU A 13 63.591 42.004 21.499 1.00 44.44 H new ATOM 0 HB2 GLU A 13 61.925 43.701 22.158 1.00 20.32 H new ATOM 0 HB3 GLU A 13 61.064 43.448 20.653 1.00 20.32 H new ATOM 0 HG2 GLU A 13 59.951 42.249 22.451 1.00 40.04 H new ATOM 0 HG3 GLU A 13 60.596 41.107 21.288 1.00 40.04 H new ATOM 183 N THR A 14 62.804 40.253 19.888 1.00 42.22 N ATOM 184 CA THR A 14 62.543 39.222 18.922 1.00 41.14 C ATOM 185 C THR A 14 61.035 39.218 18.598 1.00 45.31 C ATOM 186 O THR A 14 60.208 39.647 19.427 1.00 62.53 O ATOM 187 CB THR A 14 63.018 37.833 19.467 1.00 12.23 C ATOM 188 OG1 THR A 14 62.850 36.794 18.489 1.00 63.25 O ATOM 189 CG2 THR A 14 62.285 37.459 20.738 1.00 62.44 C ATOM 0 H THR A 14 63.068 39.903 20.809 1.00 42.22 H new ATOM 0 HA THR A 14 63.100 39.417 18.006 1.00 41.14 H new ATOM 0 HB THR A 14 64.081 37.931 19.689 1.00 12.23 H new ATOM 0 HG1 THR A 14 63.158 35.941 18.861 1.00 63.25 H new ATOM 0 HG21 THR A 14 62.638 36.490 21.090 1.00 62.44 H new ATOM 0 HG22 THR A 14 62.473 38.213 21.502 1.00 62.44 H new ATOM 0 HG23 THR A 14 61.215 37.405 20.538 1.00 62.44 H new ATOM 197 N THR A 15 60.675 38.784 17.419 1.00 22.31 N ATOM 198 CA THR A 15 59.304 38.813 17.024 1.00 32.24 C ATOM 199 C THR A 15 58.932 37.608 16.135 1.00 62.21 C ATOM 200 O THR A 15 59.336 37.509 14.973 1.00 23.24 O ATOM 201 CB THR A 15 58.941 40.196 16.361 1.00 51.25 C ATOM 202 OG1 THR A 15 57.582 40.230 15.925 1.00 12.31 O ATOM 203 CG2 THR A 15 59.873 40.553 15.198 1.00 74.45 C ATOM 0 H THR A 15 61.316 38.408 16.721 1.00 22.31 H new ATOM 0 HA THR A 15 58.694 38.718 17.922 1.00 32.24 H new ATOM 0 HB THR A 15 59.078 40.947 17.139 1.00 51.25 H new ATOM 0 HG1 THR A 15 57.390 41.102 15.520 1.00 12.31 H new ATOM 0 HG21 THR A 15 59.578 41.515 14.778 1.00 74.45 H new ATOM 0 HG22 THR A 15 60.899 40.614 15.560 1.00 74.45 H new ATOM 0 HG23 THR A 15 59.805 39.784 14.428 1.00 74.45 H new ATOM 211 N SER A 16 58.220 36.674 16.716 1.00 21.45 N ATOM 212 CA SER A 16 57.707 35.546 16.000 1.00 75.53 C ATOM 213 C SER A 16 56.297 35.931 15.588 1.00 2.54 C ATOM 214 O SER A 16 55.368 35.861 16.387 1.00 23.35 O ATOM 215 CB SER A 16 57.712 34.289 16.909 1.00 70.35 C ATOM 216 OG SER A 16 57.350 33.103 16.199 1.00 3.42 O ATOM 0 H SER A 16 57.982 36.681 17.708 1.00 21.45 H new ATOM 0 HA SER A 16 58.313 35.299 15.129 1.00 75.53 H new ATOM 0 HB2 SER A 16 58.704 34.161 17.343 1.00 70.35 H new ATOM 0 HB3 SER A 16 57.019 34.440 17.737 1.00 70.35 H new ATOM 0 HG SER A 16 57.368 32.337 16.810 1.00 3.42 H new ATOM 222 N VAL A 17 56.154 36.411 14.387 1.00 62.31 N ATOM 223 CA VAL A 17 54.895 36.939 13.962 1.00 12.12 C ATOM 224 C VAL A 17 54.149 35.980 13.044 1.00 72.34 C ATOM 225 O VAL A 17 54.694 35.455 12.056 1.00 53.35 O ATOM 226 CB VAL A 17 55.034 38.368 13.337 1.00 13.44 C ATOM 227 CG1 VAL A 17 55.938 38.386 12.108 1.00 2.22 C ATOM 228 CG2 VAL A 17 53.671 38.970 13.032 1.00 70.12 C ATOM 0 H VAL A 17 56.894 36.447 13.686 1.00 62.31 H new ATOM 0 HA VAL A 17 54.285 37.049 14.859 1.00 12.12 H new ATOM 0 HB VAL A 17 55.519 38.992 14.087 1.00 13.44 H new ATOM 0 HG11 VAL A 17 55.999 39.401 11.716 1.00 2.22 H new ATOM 0 HG12 VAL A 17 56.935 38.044 12.385 1.00 2.22 H new ATOM 0 HG13 VAL A 17 55.527 37.726 11.344 1.00 2.22 H new ATOM 0 HG21 VAL A 17 53.800 39.962 12.599 1.00 70.12 H new ATOM 0 HG22 VAL A 17 53.141 38.332 12.325 1.00 70.12 H new ATOM 0 HG23 VAL A 17 53.094 39.048 13.953 1.00 70.12 H new ATOM 616 N GLY A 45 5.506 -14.781 1.888 1.00 1.53 N ATOM 617 CA GLY A 45 4.173 -14.436 2.258 1.00 64.42 C ATOM 618 C GLY A 45 3.897 -13.076 1.706 1.00 72.50 C ATOM 619 O GLY A 45 4.393 -12.089 2.221 1.00 1.31 O ATOM 0 HA2 GLY A 45 3.464 -15.163 1.862 1.00 64.42 H new ATOM 0 HA3 GLY A 45 4.062 -14.441 3.342 1.00 64.42 H new ATOM 623 N SER A 46 3.191 -13.029 0.630 1.00 41.32 N ATOM 624 CA SER A 46 2.956 -11.790 -0.053 1.00 41.32 C ATOM 625 C SER A 46 1.545 -11.267 0.222 1.00 54.32 C ATOM 626 O SER A 46 0.630 -12.033 0.542 1.00 11.10 O ATOM 627 CB SER A 46 3.144 -12.024 -1.541 1.00 2.11 C ATOM 628 OG SER A 46 4.315 -12.808 -1.774 1.00 14.32 O ATOM 0 H SER A 46 2.758 -13.843 0.194 1.00 41.32 H new ATOM 0 HA SER A 46 3.660 -11.040 0.307 1.00 41.32 H new ATOM 0 HB2 SER A 46 2.270 -12.532 -1.950 1.00 2.11 H new ATOM 0 HB3 SER A 46 3.228 -11.069 -2.059 1.00 2.11 H new ATOM 0 HG SER A 46 4.425 -12.954 -2.737 1.00 14.32 H new ATOM 634 N ALA A 47 1.382 -9.981 0.096 1.00 50.21 N ATOM 635 CA ALA A 47 0.113 -9.313 0.268 1.00 75.45 C ATOM 636 C ALA A 47 0.089 -8.154 -0.689 1.00 23.31 C ATOM 637 O ALA A 47 1.155 -7.618 -1.009 1.00 60.53 O ATOM 638 CB ALA A 47 -0.059 -8.838 1.699 1.00 65.23 C ATOM 0 H ALA A 47 2.146 -9.346 -0.136 1.00 50.21 H new ATOM 0 HA ALA A 47 -0.711 -9.996 0.062 1.00 75.45 H new ATOM 0 HB1 ALA A 47 -1.022 -8.338 1.803 1.00 65.23 H new ATOM 0 HB2 ALA A 47 -0.019 -9.693 2.374 1.00 65.23 H new ATOM 0 HB3 ALA A 47 0.741 -8.141 1.950 1.00 65.23 H new ATOM 644 N LEU A 48 -1.076 -7.755 -1.144 1.00 21.00 N ATOM 645 CA LEU A 48 -1.150 -6.716 -2.148 1.00 61.23 C ATOM 646 C LEU A 48 -1.985 -5.569 -1.684 1.00 71.20 C ATOM 647 O LEU A 48 -2.897 -5.723 -0.879 1.00 71.20 O ATOM 648 CB LEU A 48 -1.691 -7.211 -3.521 1.00 11.51 C ATOM 649 CG LEU A 48 -3.187 -7.597 -3.627 1.00 35.33 C ATOM 650 CD1 LEU A 48 -3.573 -7.775 -5.084 1.00 3.33 C ATOM 651 CD2 LEU A 48 -3.487 -8.879 -2.877 1.00 51.11 C ATOM 0 H LEU A 48 -1.976 -8.128 -0.841 1.00 21.00 H new ATOM 0 HA LEU A 48 -0.119 -6.394 -2.296 1.00 61.23 H new ATOM 0 HB2 LEU A 48 -1.497 -6.430 -4.256 1.00 11.51 H new ATOM 0 HB3 LEU A 48 -1.102 -8.079 -3.816 1.00 11.51 H new ATOM 0 HG LEU A 48 -3.767 -6.790 -3.179 1.00 35.33 H new ATOM 0 HD11 LEU A 48 -4.627 -8.046 -5.151 1.00 3.33 H new ATOM 0 HD12 LEU A 48 -3.404 -6.842 -5.622 1.00 3.33 H new ATOM 0 HD13 LEU A 48 -2.966 -8.565 -5.527 1.00 3.33 H new ATOM 0 HD21 LEU A 48 -4.546 -9.118 -2.974 1.00 51.11 H new ATOM 0 HD22 LEU A 48 -2.892 -9.692 -3.293 1.00 51.11 H new ATOM 0 HD23 LEU A 48 -3.239 -8.751 -1.823 1.00 51.11 H new ATOM 663 N LEU A 49 -1.674 -4.434 -2.178 1.00 62.35 N ATOM 664 CA LEU A 49 -2.436 -3.274 -1.910 1.00 23.11 C ATOM 665 C LEU A 49 -2.757 -2.599 -3.212 1.00 45.23 C ATOM 666 O LEU A 49 -1.888 -2.474 -4.092 1.00 71.31 O ATOM 667 CB LEU A 49 -1.762 -2.316 -0.875 1.00 21.42 C ATOM 668 CG LEU A 49 -0.313 -1.813 -1.123 1.00 54.22 C ATOM 669 CD1 LEU A 49 0.028 -0.741 -0.105 1.00 21.33 C ATOM 670 CD2 LEU A 49 0.708 -2.939 -0.984 1.00 3.22 C ATOM 0 H LEU A 49 -0.872 -4.279 -2.789 1.00 62.35 H new ATOM 0 HA LEU A 49 -3.366 -3.571 -1.425 1.00 23.11 H new ATOM 0 HB2 LEU A 49 -2.400 -1.437 -0.781 1.00 21.42 H new ATOM 0 HB3 LEU A 49 -1.771 -2.822 0.091 1.00 21.42 H new ATOM 0 HG LEU A 49 -0.270 -1.422 -2.139 1.00 54.22 H new ATOM 0 HD11 LEU A 49 1.044 -0.386 -0.277 1.00 21.33 H new ATOM 0 HD12 LEU A 49 -0.669 0.091 -0.206 1.00 21.33 H new ATOM 0 HD13 LEU A 49 -0.046 -1.157 0.900 1.00 21.33 H new ATOM 0 HD21 LEU A 49 1.709 -2.547 -1.165 1.00 3.22 H new ATOM 0 HD22 LEU A 49 0.657 -3.354 0.023 1.00 3.22 H new ATOM 0 HD23 LEU A 49 0.488 -3.721 -1.710 1.00 3.22 H new ATOM 682 N VAL A 50 -4.000 -2.238 -3.371 1.00 45.42 N ATOM 683 CA VAL A 50 -4.460 -1.618 -4.576 1.00 61.14 C ATOM 684 C VAL A 50 -4.649 -0.144 -4.321 1.00 42.51 C ATOM 685 O VAL A 50 -5.092 0.256 -3.238 1.00 65.13 O ATOM 686 CB VAL A 50 -5.803 -2.251 -5.109 1.00 4.42 C ATOM 687 CG1 VAL A 50 -5.654 -3.745 -5.355 1.00 14.34 C ATOM 688 CG2 VAL A 50 -6.973 -2.005 -4.165 1.00 3.52 C ATOM 0 H VAL A 50 -4.723 -2.367 -2.664 1.00 45.42 H new ATOM 0 HA VAL A 50 -3.708 -1.782 -5.348 1.00 61.14 H new ATOM 0 HB VAL A 50 -6.018 -1.753 -6.054 1.00 4.42 H new ATOM 0 HG11 VAL A 50 -6.598 -4.149 -5.722 1.00 14.34 H new ATOM 0 HG12 VAL A 50 -4.874 -3.916 -6.097 1.00 14.34 H new ATOM 0 HG13 VAL A 50 -5.384 -4.242 -4.423 1.00 14.34 H new ATOM 0 HG21 VAL A 50 -7.874 -2.460 -4.576 1.00 3.52 H new ATOM 0 HG22 VAL A 50 -6.755 -2.446 -3.193 1.00 3.52 H new ATOM 0 HG23 VAL A 50 -7.128 -0.932 -4.050 1.00 3.52 H new ATOM 698 N VAL A 51 -4.310 0.661 -5.270 1.00 63.00 N ATOM 699 CA VAL A 51 -4.490 2.066 -5.110 1.00 51.22 C ATOM 700 C VAL A 51 -5.829 2.419 -5.682 1.00 31.03 C ATOM 701 O VAL A 51 -6.061 2.277 -6.891 1.00 65.21 O ATOM 702 CB VAL A 51 -3.384 2.874 -5.832 1.00 52.02 C ATOM 703 CG1 VAL A 51 -3.525 4.354 -5.548 1.00 12.35 C ATOM 704 CG2 VAL A 51 -2.000 2.384 -5.433 1.00 54.14 C ATOM 0 H VAL A 51 -3.908 0.373 -6.162 1.00 63.00 H new ATOM 0 HA VAL A 51 -4.431 2.318 -4.051 1.00 51.22 H new ATOM 0 HB VAL A 51 -3.504 2.717 -6.904 1.00 52.02 H new ATOM 0 HG11 VAL A 51 -2.737 4.901 -6.066 1.00 12.35 H new ATOM 0 HG12 VAL A 51 -4.497 4.701 -5.898 1.00 12.35 H new ATOM 0 HG13 VAL A 51 -3.442 4.528 -4.475 1.00 12.35 H new ATOM 0 HG21 VAL A 51 -1.243 2.969 -5.955 1.00 54.14 H new ATOM 0 HG22 VAL A 51 -1.870 2.499 -4.357 1.00 54.14 H new ATOM 0 HG23 VAL A 51 -1.895 1.333 -5.701 1.00 54.14 H new ATOM 714 N LYS A 52 -6.712 2.865 -4.816 1.00 42.25 N ATOM 715 CA LYS A 52 -8.049 3.218 -5.214 1.00 43.41 C ATOM 716 C LYS A 52 -7.932 4.523 -5.973 1.00 3.42 C ATOM 717 O LYS A 52 -8.492 4.695 -7.060 1.00 21.53 O ATOM 718 CB LYS A 52 -8.939 3.378 -3.954 1.00 52.40 C ATOM 719 CG LYS A 52 -10.447 3.201 -4.183 1.00 3.12 C ATOM 720 CD LYS A 52 -11.024 4.203 -5.165 1.00 61.13 C ATOM 721 CE LYS A 52 -12.478 3.916 -5.458 1.00 20.14 C ATOM 722 NZ LYS A 52 -12.674 2.557 -6.001 1.00 53.23 N ATOM 0 H LYS A 52 -6.521 2.991 -3.822 1.00 42.25 H new ATOM 0 HA LYS A 52 -8.509 2.453 -5.839 1.00 43.41 H new ATOM 0 HB2 LYS A 52 -8.615 2.653 -3.207 1.00 52.40 H new ATOM 0 HB3 LYS A 52 -8.767 4.368 -3.532 1.00 52.40 H new ATOM 0 HG2 LYS A 52 -10.636 2.192 -4.550 1.00 3.12 H new ATOM 0 HG3 LYS A 52 -10.966 3.296 -3.229 1.00 3.12 H new ATOM 0 HD2 LYS A 52 -10.925 5.210 -4.759 1.00 61.13 H new ATOM 0 HD3 LYS A 52 -10.452 4.176 -6.093 1.00 61.13 H new ATOM 0 HE2 LYS A 52 -13.061 4.029 -4.544 1.00 20.14 H new ATOM 0 HE3 LYS A 52 -12.856 4.649 -6.170 1.00 20.14 H new ATOM 0 HZ1 LYS A 52 -13.595 2.505 -6.481 1.00 53.23 H new ATOM 0 HZ2 LYS A 52 -11.916 2.342 -6.680 1.00 53.23 H new ATOM 0 HZ3 LYS A 52 -12.649 1.866 -5.224 1.00 53.23 H new ATOM 736 N ARG A 53 -7.150 5.407 -5.417 1.00 44.45 N ATOM 737 CA ARG A 53 -6.861 6.672 -6.016 1.00 22.42 C ATOM 738 C ARG A 53 -5.681 7.227 -5.291 1.00 20.13 C ATOM 739 O ARG A 53 -5.667 7.229 -4.056 1.00 74.34 O ATOM 740 CB ARG A 53 -8.045 7.628 -5.904 1.00 31.33 C ATOM 741 CG ARG A 53 -7.895 8.881 -6.752 1.00 52.24 C ATOM 742 CD ARG A 53 -9.101 9.780 -6.621 1.00 23.31 C ATOM 743 NE ARG A 53 -10.350 9.090 -6.977 1.00 24.12 N ATOM 744 CZ ARG A 53 -11.565 9.609 -6.840 1.00 50.44 C ATOM 745 NH1 ARG A 53 -11.705 10.879 -6.441 1.00 2.31 N ATOM 746 NH2 ARG A 53 -12.635 8.866 -7.118 1.00 4.14 N ATOM 0 H ARG A 53 -6.689 5.262 -4.519 1.00 44.45 H new ATOM 0 HA ARG A 53 -6.657 6.549 -7.080 1.00 22.42 H new ATOM 0 HB2 ARG A 53 -8.954 7.105 -6.201 1.00 31.33 H new ATOM 0 HB3 ARG A 53 -8.170 7.918 -4.861 1.00 31.33 H new ATOM 0 HG2 ARG A 53 -7.000 9.423 -6.448 1.00 52.24 H new ATOM 0 HG3 ARG A 53 -7.759 8.601 -7.797 1.00 52.24 H new ATOM 0 HD2 ARG A 53 -9.170 10.146 -5.597 1.00 23.31 H new ATOM 0 HD3 ARG A 53 -8.974 10.652 -7.263 1.00 23.31 H new ATOM 0 HE ARG A 53 -10.278 8.146 -7.356 1.00 24.12 H new ATOM 0 HH11 ARG A 53 -10.880 11.445 -6.243 1.00 2.31 H new ATOM 0 HH12 ARG A 53 -12.637 11.280 -6.335 1.00 2.31 H new ATOM 0 HH21 ARG A 53 -12.519 7.903 -7.434 1.00 4.14 H new ATOM 0 HH22 ARG A 53 -13.570 9.260 -7.014 1.00 4.14 H new ATOM 760 N GLY A 54 -4.677 7.615 -6.021 1.00 13.43 N ATOM 761 CA GLY A 54 -3.513 8.149 -5.408 1.00 31.23 C ATOM 762 C GLY A 54 -2.308 8.055 -6.310 1.00 54.12 C ATOM 763 O GLY A 54 -2.059 6.996 -6.899 1.00 0.35 O ATOM 0 H GLY A 54 -4.647 7.569 -7.040 1.00 13.43 H new ATOM 0 HA2 GLY A 54 -3.688 9.192 -5.144 1.00 31.23 H new ATOM 0 HA3 GLY A 54 -3.314 7.614 -4.479 1.00 31.23 H new ATOM 767 N PRO A 55 -1.526 9.146 -6.428 1.00 22.22 N ATOM 768 CA PRO A 55 -0.292 9.203 -7.251 1.00 1.55 C ATOM 769 C PRO A 55 0.788 8.184 -6.838 1.00 20.21 C ATOM 770 O PRO A 55 1.823 8.083 -7.486 1.00 60.20 O ATOM 771 CB PRO A 55 0.212 10.624 -7.047 1.00 4.11 C ATOM 772 CG PRO A 55 -0.993 11.394 -6.661 1.00 14.44 C ATOM 773 CD PRO A 55 -1.803 10.466 -5.813 1.00 15.45 C ATOM 0 HA PRO A 55 -0.510 8.949 -8.288 1.00 1.55 H new ATOM 0 HB2 PRO A 55 0.976 10.666 -6.270 1.00 4.11 H new ATOM 0 HB3 PRO A 55 0.661 11.020 -7.958 1.00 4.11 H new ATOM 0 HG2 PRO A 55 -0.724 12.295 -6.110 1.00 14.44 H new ATOM 0 HG3 PRO A 55 -1.553 11.713 -7.540 1.00 14.44 H new ATOM 0 HD2 PRO A 55 -1.496 10.499 -4.768 1.00 15.45 H new ATOM 0 HD3 PRO A 55 -2.864 10.712 -5.841 1.00 15.45 H new ATOM 781 N ASN A 56 0.556 7.502 -5.713 1.00 75.24 N ATOM 782 CA ASN A 56 1.419 6.410 -5.197 1.00 44.23 C ATOM 783 C ASN A 56 1.836 5.451 -6.317 1.00 24.42 C ATOM 784 O ASN A 56 3.008 5.155 -6.466 1.00 74.34 O ATOM 785 CB ASN A 56 0.649 5.631 -4.097 1.00 62.10 C ATOM 786 CG ASN A 56 1.272 4.276 -3.715 1.00 10.24 C ATOM 787 OD1 ASN A 56 0.970 3.265 -4.320 1.00 23.42 O ATOM 788 ND2 ASN A 56 2.079 4.240 -2.688 1.00 54.11 N ATOM 0 H ASN A 56 -0.250 7.689 -5.116 1.00 75.24 H new ATOM 0 HA ASN A 56 2.325 6.851 -4.781 1.00 44.23 H new ATOM 0 HB2 ASN A 56 0.590 6.253 -3.204 1.00 62.10 H new ATOM 0 HB3 ASN A 56 -0.373 5.463 -4.437 1.00 62.10 H new ATOM 0 HD21 ASN A 56 2.470 3.351 -2.378 1.00 54.11 H new ATOM 0 HD22 ASN A 56 2.318 5.101 -2.196 1.00 54.11 H new ATOM 795 N ALA A 57 0.868 5.021 -7.114 1.00 1.12 N ATOM 796 CA ALA A 57 1.126 4.096 -8.208 1.00 32.15 C ATOM 797 C ALA A 57 -0.056 4.065 -9.147 1.00 23.11 C ATOM 798 O ALA A 57 0.090 4.173 -10.359 1.00 11.12 O ATOM 799 CB ALA A 57 1.411 2.684 -7.684 1.00 33.25 C ATOM 0 H ALA A 57 -0.109 5.300 -7.022 1.00 1.12 H new ATOM 0 HA ALA A 57 2.008 4.445 -8.745 1.00 32.15 H new ATOM 0 HB1 ALA A 57 1.600 2.015 -8.524 1.00 33.25 H new ATOM 0 HB2 ALA A 57 2.286 2.707 -7.034 1.00 33.25 H new ATOM 0 HB3 ALA A 57 0.550 2.324 -7.121 1.00 33.25 H new ATOM 805 N GLY A 58 -1.241 3.925 -8.573 1.00 44.31 N ATOM 806 CA GLY A 58 -2.447 3.835 -9.375 1.00 30.41 C ATOM 807 C GLY A 58 -2.616 2.438 -9.922 1.00 60.01 C ATOM 808 O GLY A 58 -3.252 2.225 -10.947 1.00 14.14 O ATOM 0 H GLY A 58 -1.391 3.872 -7.566 1.00 44.31 H new ATOM 0 HA2 GLY A 58 -3.314 4.102 -8.770 1.00 30.41 H new ATOM 0 HA3 GLY A 58 -2.399 4.550 -10.196 1.00 30.41 H new ATOM 812 N ALA A 59 -2.045 1.496 -9.226 1.00 32.44 N ATOM 813 CA ALA A 59 -2.050 0.108 -9.614 1.00 44.04 C ATOM 814 C ALA A 59 -2.085 -0.723 -8.350 1.00 72.11 C ATOM 815 O ALA A 59 -2.521 -0.234 -7.303 1.00 74.30 O ATOM 816 CB ALA A 59 -0.786 -0.190 -10.423 1.00 63.34 C ATOM 0 H ALA A 59 -1.550 1.673 -8.352 1.00 32.44 H new ATOM 0 HA ALA A 59 -2.916 -0.127 -10.232 1.00 44.04 H new ATOM 0 HB1 ALA A 59 -0.783 -1.239 -10.720 1.00 63.34 H new ATOM 0 HB2 ALA A 59 -0.767 0.439 -11.313 1.00 63.34 H new ATOM 0 HB3 ALA A 59 0.093 0.017 -9.813 1.00 63.34 H new ATOM 822 N ARG A 60 -1.650 -1.940 -8.433 1.00 63.21 N ATOM 823 CA ARG A 60 -1.586 -2.797 -7.279 1.00 4.24 C ATOM 824 C ARG A 60 -0.210 -3.395 -7.213 1.00 71.33 C ATOM 825 O ARG A 60 0.378 -3.710 -8.252 1.00 22.33 O ATOM 826 CB ARG A 60 -2.660 -3.922 -7.304 1.00 54.21 C ATOM 827 CG ARG A 60 -2.471 -5.036 -8.349 1.00 3.13 C ATOM 828 CD ARG A 60 -2.750 -4.576 -9.773 1.00 34.15 C ATOM 829 NE ARG A 60 -2.446 -5.627 -10.741 1.00 10.24 N ATOM 830 CZ ARG A 60 -3.346 -6.254 -11.512 1.00 71.02 C ATOM 831 NH1 ARG A 60 -4.644 -5.999 -11.377 1.00 72.33 N ATOM 832 NH2 ARG A 60 -2.943 -7.158 -12.395 1.00 20.12 N ATOM 0 H ARG A 60 -1.328 -2.373 -9.299 1.00 63.21 H new ATOM 0 HA ARG A 60 -1.793 -2.196 -6.394 1.00 4.24 H new ATOM 0 HB2 ARG A 60 -2.692 -4.383 -6.317 1.00 54.21 H new ATOM 0 HB3 ARG A 60 -3.633 -3.460 -7.472 1.00 54.21 H new ATOM 0 HG2 ARG A 60 -1.450 -5.412 -8.289 1.00 3.13 H new ATOM 0 HG3 ARG A 60 -3.132 -5.868 -8.107 1.00 3.13 H new ATOM 0 HD2 ARG A 60 -3.797 -4.286 -9.865 1.00 34.15 H new ATOM 0 HD3 ARG A 60 -2.153 -3.691 -9.995 1.00 34.15 H new ATOM 0 HE ARG A 60 -1.470 -5.907 -10.838 1.00 10.24 H new ATOM 0 HH11 ARG A 60 -4.961 -5.322 -10.683 1.00 72.33 H new ATOM 0 HH12 ARG A 60 -5.322 -6.480 -11.967 1.00 72.33 H new ATOM 0 HH21 ARG A 60 -1.950 -7.375 -12.486 1.00 20.12 H new ATOM 0 HH22 ARG A 60 -3.626 -7.636 -12.983 1.00 20.12 H new ATOM 846 N PHE A 61 0.323 -3.522 -6.044 1.00 2.33 N ATOM 847 CA PHE A 61 1.619 -4.123 -5.894 1.00 74.05 C ATOM 848 C PHE A 61 1.641 -4.997 -4.675 1.00 43.10 C ATOM 849 O PHE A 61 0.848 -4.799 -3.746 1.00 21.22 O ATOM 850 CB PHE A 61 2.767 -3.078 -5.892 1.00 55.43 C ATOM 851 CG PHE A 61 2.748 -2.054 -4.777 1.00 14.04 C ATOM 852 CD1 PHE A 61 1.932 -0.933 -4.852 1.00 74.42 C ATOM 853 CD2 PHE A 61 3.575 -2.201 -3.672 1.00 33.40 C ATOM 854 CE1 PHE A 61 1.938 0.014 -3.849 1.00 2.34 C ATOM 855 CE2 PHE A 61 3.582 -1.259 -2.664 1.00 43.33 C ATOM 856 CZ PHE A 61 2.765 -0.149 -2.752 1.00 23.11 C ATOM 0 H PHE A 61 -0.114 -3.219 -5.173 1.00 2.33 H new ATOM 0 HA PHE A 61 1.801 -4.749 -6.767 1.00 74.05 H new ATOM 0 HB2 PHE A 61 3.715 -3.613 -5.847 1.00 55.43 H new ATOM 0 HB3 PHE A 61 2.746 -2.547 -6.843 1.00 55.43 H new ATOM 0 HD1 PHE A 61 1.285 -0.801 -5.706 1.00 74.42 H new ATOM 0 HD2 PHE A 61 4.221 -3.064 -3.600 1.00 33.40 H new ATOM 0 HE1 PHE A 61 1.298 0.881 -3.920 1.00 2.34 H new ATOM 0 HE2 PHE A 61 4.226 -1.390 -1.807 1.00 43.33 H new ATOM 0 HZ PHE A 61 2.772 0.591 -1.965 1.00 23.11 H new ATOM 866 N LEU A 62 2.494 -5.971 -4.697 1.00 65.43 N ATOM 867 CA LEU A 62 2.633 -6.911 -3.620 1.00 43.51 C ATOM 868 C LEU A 62 3.863 -6.588 -2.826 1.00 53.23 C ATOM 869 O LEU A 62 4.868 -6.145 -3.384 1.00 75.13 O ATOM 870 CB LEU A 62 2.693 -8.381 -4.120 1.00 14.40 C ATOM 871 CG LEU A 62 1.375 -9.032 -4.609 1.00 42.23 C ATOM 872 CD1 LEU A 62 0.831 -8.382 -5.876 1.00 1.40 C ATOM 873 CD2 LEU A 62 1.559 -10.526 -4.815 1.00 22.01 C ATOM 0 H LEU A 62 3.128 -6.142 -5.477 1.00 65.43 H new ATOM 0 HA LEU A 62 1.748 -6.823 -2.990 1.00 43.51 H new ATOM 0 HB2 LEU A 62 3.413 -8.428 -4.937 1.00 14.40 H new ATOM 0 HB3 LEU A 62 3.089 -8.994 -3.311 1.00 14.40 H new ATOM 0 HG LEU A 62 0.635 -8.868 -3.826 1.00 42.23 H new ATOM 0 HD11 LEU A 62 -0.093 -8.879 -6.172 1.00 1.40 H new ATOM 0 HD12 LEU A 62 0.631 -7.327 -5.687 1.00 1.40 H new ATOM 0 HD13 LEU A 62 1.565 -8.475 -6.676 1.00 1.40 H new ATOM 0 HD21 LEU A 62 0.622 -10.964 -5.158 1.00 22.01 H new ATOM 0 HD22 LEU A 62 2.335 -10.698 -5.561 1.00 22.01 H new ATOM 0 HD23 LEU A 62 1.853 -10.990 -3.873 1.00 22.01 H new ATOM 885 N LEU A 63 3.776 -6.713 -1.534 1.00 1.42 N ATOM 886 CA LEU A 63 4.936 -6.518 -0.721 1.00 73.21 C ATOM 887 C LEU A 63 5.857 -7.703 -0.924 1.00 5.33 C ATOM 888 O LEU A 63 5.513 -8.837 -0.579 1.00 3.22 O ATOM 889 CB LEU A 63 4.559 -6.379 0.758 1.00 44.23 C ATOM 890 CG LEU A 63 3.635 -5.210 1.120 1.00 71.52 C ATOM 891 CD1 LEU A 63 3.346 -5.211 2.611 1.00 60.03 C ATOM 892 CD2 LEU A 63 4.247 -3.878 0.698 1.00 52.33 C ATOM 0 H LEU A 63 2.923 -6.947 -1.027 1.00 1.42 H new ATOM 0 HA LEU A 63 5.437 -5.595 -1.013 1.00 73.21 H new ATOM 0 HB2 LEU A 63 4.080 -7.305 1.077 1.00 44.23 H new ATOM 0 HB3 LEU A 63 5.477 -6.280 1.337 1.00 44.23 H new ATOM 0 HG LEU A 63 2.697 -5.337 0.579 1.00 71.52 H new ATOM 0 HD11 LEU A 63 2.689 -4.376 2.855 1.00 60.03 H new ATOM 0 HD12 LEU A 63 2.861 -6.147 2.887 1.00 60.03 H new ATOM 0 HD13 LEU A 63 4.281 -5.110 3.163 1.00 60.03 H new ATOM 0 HD21 LEU A 63 3.571 -3.066 0.966 1.00 52.33 H new ATOM 0 HD22 LEU A 63 5.201 -3.739 1.206 1.00 52.33 H new ATOM 0 HD23 LEU A 63 4.406 -3.876 -0.380 1.00 52.33 H new ATOM 904 N ASP A 64 6.999 -7.436 -1.503 1.00 4.22 N ATOM 905 CA ASP A 64 7.991 -8.460 -1.778 1.00 23.14 C ATOM 906 C ASP A 64 9.243 -8.133 -1.011 1.00 53.41 C ATOM 907 O ASP A 64 10.270 -8.791 -1.153 1.00 35.43 O ATOM 908 CB ASP A 64 8.361 -8.504 -3.282 1.00 64.23 C ATOM 909 CG ASP A 64 7.230 -8.852 -4.231 1.00 63.11 C ATOM 910 OD1 ASP A 64 6.879 -10.038 -4.352 1.00 71.01 O ATOM 911 OD2 ASP A 64 6.732 -7.952 -4.947 1.00 24.04 O ATOM 0 H ASP A 64 7.275 -6.500 -1.801 1.00 4.22 H new ATOM 0 HA ASP A 64 7.573 -9.423 -1.486 1.00 23.14 H new ATOM 0 HB2 ASP A 64 8.762 -7.531 -3.567 1.00 64.23 H new ATOM 0 HB3 ASP A 64 9.161 -9.231 -3.419 1.00 64.23 H new ATOM 916 N GLN A 65 9.168 -7.098 -0.204 1.00 20.14 N ATOM 917 CA GLN A 65 10.328 -6.622 0.499 1.00 4.14 C ATOM 918 C GLN A 65 10.067 -6.644 1.988 1.00 22.12 C ATOM 919 O GLN A 65 9.020 -6.155 2.432 1.00 52.40 O ATOM 920 CB GLN A 65 10.712 -5.179 0.084 1.00 42.02 C ATOM 921 CG GLN A 65 10.889 -4.930 -1.415 1.00 43.25 C ATOM 922 CD GLN A 65 9.575 -4.834 -2.210 1.00 1.12 C ATOM 923 OE1 GLN A 65 9.521 -5.205 -3.376 1.00 54.33 O ATOM 924 NE2 GLN A 65 8.521 -4.321 -1.602 1.00 54.13 N ATOM 0 H GLN A 65 8.313 -6.573 -0.021 1.00 20.14 H new ATOM 0 HA GLN A 65 11.155 -7.284 0.241 1.00 4.14 H new ATOM 0 HB2 GLN A 65 9.944 -4.500 0.455 1.00 42.02 H new ATOM 0 HB3 GLN A 65 11.642 -4.914 0.587 1.00 42.02 H new ATOM 0 HG2 GLN A 65 11.449 -4.005 -1.552 1.00 43.25 H new ATOM 0 HG3 GLN A 65 11.494 -5.734 -1.834 1.00 43.25 H new ATOM 0 HE21 GLN A 65 8.590 -4.019 -0.630 1.00 54.13 H new ATOM 0 HE22 GLN A 65 7.638 -4.227 -2.104 1.00 54.13 H new ATOM 933 N PRO A 66 11.017 -7.206 2.782 1.00 4.13 N ATOM 934 CA PRO A 66 10.918 -7.255 4.249 1.00 42.42 C ATOM 935 C PRO A 66 10.700 -5.869 4.823 1.00 71.34 C ATOM 936 O PRO A 66 9.927 -5.672 5.750 1.00 22.42 O ATOM 937 CB PRO A 66 12.269 -7.791 4.721 1.00 51.51 C ATOM 938 CG PRO A 66 13.047 -8.167 3.504 1.00 24.05 C ATOM 939 CD PRO A 66 12.232 -7.858 2.283 1.00 64.04 C ATOM 0 HA PRO A 66 10.080 -7.874 4.570 1.00 42.42 H new ATOM 0 HB2 PRO A 66 12.801 -7.036 5.299 1.00 51.51 H new ATOM 0 HB3 PRO A 66 12.134 -8.654 5.372 1.00 51.51 H new ATOM 0 HG2 PRO A 66 13.989 -7.619 3.476 1.00 24.05 H new ATOM 0 HG3 PRO A 66 13.297 -9.228 3.531 1.00 24.05 H new ATOM 0 HD2 PRO A 66 12.777 -7.205 1.602 1.00 64.04 H new ATOM 0 HD3 PRO A 66 11.992 -8.766 1.730 1.00 64.04 H new ATOM 947 N THR A 67 11.389 -4.924 4.253 1.00 50.45 N ATOM 948 CA THR A 67 11.249 -3.554 4.600 1.00 24.11 C ATOM 949 C THR A 67 10.962 -2.750 3.325 1.00 11.42 C ATOM 950 O THR A 67 11.847 -2.557 2.484 1.00 13.32 O ATOM 951 CB THR A 67 12.519 -3.032 5.328 1.00 52.21 C ATOM 952 OG1 THR A 67 12.722 -3.788 6.552 1.00 41.55 O ATOM 953 CG2 THR A 67 12.391 -1.557 5.670 1.00 52.25 C ATOM 0 H THR A 67 12.076 -5.096 3.519 1.00 50.45 H new ATOM 0 HA THR A 67 10.416 -3.434 5.293 1.00 24.11 H new ATOM 0 HB THR A 67 13.370 -3.160 4.659 1.00 52.21 H new ATOM 0 HG1 THR A 67 13.194 -3.231 7.206 1.00 41.55 H new ATOM 0 HG21 THR A 67 13.295 -1.222 6.178 1.00 52.25 H new ATOM 0 HG22 THR A 67 12.255 -0.982 4.754 1.00 52.25 H new ATOM 0 HG23 THR A 67 11.531 -1.408 6.323 1.00 52.25 H new ATOM 961 N THR A 68 9.715 -2.376 3.151 1.00 30.23 N ATOM 962 CA THR A 68 9.300 -1.601 2.015 1.00 50.32 C ATOM 963 C THR A 68 9.009 -0.173 2.493 1.00 43.02 C ATOM 964 O THR A 68 8.069 0.049 3.254 1.00 15.20 O ATOM 965 CB THR A 68 8.004 -2.218 1.423 1.00 12.14 C ATOM 966 OG1 THR A 68 8.208 -3.621 1.138 1.00 61.41 O ATOM 967 CG2 THR A 68 7.577 -1.503 0.153 1.00 25.24 C ATOM 0 H THR A 68 8.961 -2.604 3.799 1.00 30.23 H new ATOM 0 HA THR A 68 10.078 -1.595 1.252 1.00 50.32 H new ATOM 0 HB THR A 68 7.214 -2.102 2.165 1.00 12.14 H new ATOM 0 HG1 THR A 68 8.342 -4.109 1.977 1.00 61.41 H new ATOM 0 HG21 THR A 68 6.667 -1.961 -0.234 1.00 25.24 H new ATOM 0 HG22 THR A 68 7.389 -0.452 0.373 1.00 25.24 H new ATOM 0 HG23 THR A 68 8.368 -1.582 -0.593 1.00 25.24 H new ATOM 975 N THR A 69 9.798 0.773 2.070 1.00 13.15 N ATOM 976 CA THR A 69 9.604 2.134 2.502 1.00 3.22 C ATOM 977 C THR A 69 8.985 2.955 1.372 1.00 73.22 C ATOM 978 O THR A 69 9.547 3.050 0.269 1.00 31.14 O ATOM 979 CB THR A 69 10.936 2.760 2.933 1.00 60.23 C ATOM 980 OG1 THR A 69 11.667 1.815 3.747 1.00 21.21 O ATOM 981 CG2 THR A 69 10.693 4.028 3.743 1.00 44.23 C ATOM 0 H THR A 69 10.579 0.632 1.429 1.00 13.15 H new ATOM 0 HA THR A 69 8.929 2.133 3.358 1.00 3.22 H new ATOM 0 HB THR A 69 11.509 3.012 2.041 1.00 60.23 H new ATOM 0 HG1 THR A 69 11.373 1.889 4.679 1.00 21.21 H new ATOM 0 HG21 THR A 69 11.649 4.459 4.040 1.00 44.23 H new ATOM 0 HG22 THR A 69 10.144 4.748 3.136 1.00 44.23 H new ATOM 0 HG23 THR A 69 10.112 3.786 4.633 1.00 44.23 H new ATOM 989 N ALA A 70 7.832 3.517 1.640 1.00 42.14 N ATOM 990 CA ALA A 70 7.117 4.319 0.686 1.00 33.50 C ATOM 991 C ALA A 70 7.445 5.785 0.924 1.00 23.04 C ATOM 992 O ALA A 70 7.268 6.285 2.047 1.00 4.42 O ATOM 993 CB ALA A 70 5.623 4.078 0.853 1.00 74.52 C ATOM 0 H ALA A 70 7.360 3.427 2.540 1.00 42.14 H new ATOM 0 HA ALA A 70 7.409 4.049 -0.329 1.00 33.50 H new ATOM 0 HB1 ALA A 70 5.074 4.684 0.132 1.00 74.52 H new ATOM 0 HB2 ALA A 70 5.403 3.024 0.684 1.00 74.52 H new ATOM 0 HB3 ALA A 70 5.321 4.354 1.863 1.00 74.52 H new ATOM 999 N GLY A 71 7.926 6.462 -0.096 1.00 61.44 N ATOM 1000 CA GLY A 71 8.257 7.853 0.050 1.00 23.32 C ATOM 1001 C GLY A 71 8.316 8.571 -1.273 1.00 22.14 C ATOM 1002 O GLY A 71 8.039 7.983 -2.321 1.00 74.45 O ATOM 0 H GLY A 71 8.093 6.073 -1.024 1.00 61.44 H new ATOM 0 HA2 GLY A 71 7.517 8.335 0.689 1.00 23.32 H new ATOM 0 HA3 GLY A 71 9.220 7.944 0.553 1.00 23.32 H new ATOM 1006 N ARG A 72 8.632 9.837 -1.217 1.00 14.20 N ATOM 1007 CA ARG A 72 8.787 10.680 -2.379 1.00 11.44 C ATOM 1008 C ARG A 72 10.241 11.079 -2.495 1.00 33.53 C ATOM 1009 O ARG A 72 10.662 12.095 -1.937 1.00 21.31 O ATOM 1010 CB ARG A 72 7.875 11.924 -2.276 1.00 3.10 C ATOM 1011 CG ARG A 72 8.027 12.979 -3.385 1.00 10.23 C ATOM 1012 CD ARG A 72 7.735 12.410 -4.755 1.00 74.52 C ATOM 1013 NE ARG A 72 7.739 13.438 -5.808 1.00 53.31 N ATOM 1014 CZ ARG A 72 7.366 13.231 -7.075 1.00 63.20 C ATOM 1015 NH1 ARG A 72 7.078 12.008 -7.492 1.00 53.53 N ATOM 1016 NH2 ARG A 72 7.315 14.242 -7.926 1.00 35.23 N ATOM 0 H ARG A 72 8.794 10.327 -0.337 1.00 14.20 H new ATOM 0 HA ARG A 72 8.489 10.134 -3.274 1.00 11.44 H new ATOM 0 HB2 ARG A 72 6.838 11.587 -2.265 1.00 3.10 H new ATOM 0 HB3 ARG A 72 8.063 12.407 -1.317 1.00 3.10 H new ATOM 0 HG2 ARG A 72 7.352 13.812 -3.187 1.00 10.23 H new ATOM 0 HG3 ARG A 72 9.041 13.379 -3.368 1.00 10.23 H new ATOM 0 HD2 ARG A 72 8.477 11.648 -4.994 1.00 74.52 H new ATOM 0 HD3 ARG A 72 6.764 11.915 -4.739 1.00 74.52 H new ATOM 0 HE ARG A 72 8.049 14.376 -5.553 1.00 53.31 H new ATOM 0 HH11 ARG A 72 7.140 11.221 -6.846 1.00 53.53 H new ATOM 0 HH12 ARG A 72 6.794 11.853 -8.459 1.00 53.53 H new ATOM 0 HH21 ARG A 72 7.561 15.182 -7.616 1.00 35.23 H new ATOM 0 HH22 ARG A 72 7.030 14.081 -8.892 1.00 35.23 H new ATOM 1030 N HIS A 73 10.999 10.205 -3.119 1.00 22.24 N ATOM 1031 CA HIS A 73 12.422 10.361 -3.392 1.00 53.32 C ATOM 1032 C HIS A 73 12.856 9.144 -4.173 1.00 11.42 C ATOM 1033 O HIS A 73 12.278 8.072 -3.968 1.00 73.11 O ATOM 1034 CB HIS A 73 13.243 10.448 -2.089 1.00 22.43 C ATOM 1035 CG HIS A 73 13.889 11.784 -1.870 1.00 33.44 C ATOM 1036 ND1 HIS A 73 13.252 12.870 -1.307 1.00 2.41 N ATOM 1037 CD2 HIS A 73 15.143 12.196 -2.139 1.00 72.10 C ATOM 1038 CE1 HIS A 73 14.113 13.876 -1.253 1.00 64.42 C ATOM 1039 NE2 HIS A 73 15.284 13.521 -1.747 1.00 63.02 N ATOM 0 H HIS A 73 10.628 9.322 -3.469 1.00 22.24 H new ATOM 0 HA HIS A 73 12.591 11.284 -3.947 1.00 53.32 H new ATOM 0 HB2 HIS A 73 12.591 10.227 -1.244 1.00 22.43 H new ATOM 0 HB3 HIS A 73 14.016 9.679 -2.105 1.00 22.43 H new ATOM 0 HD1 HIS A 73 12.284 12.895 -0.987 1.00 2.41 H new ATOM 0 HD2 HIS A 73 15.917 11.591 -2.589 1.00 72.10 H new ATOM 0 HE1 HIS A 73 13.887 14.855 -0.858 1.00 64.42 H new ATOM 1047 N PRO A 74 13.841 9.272 -5.086 1.00 5.42 N ATOM 1048 CA PRO A 74 14.340 8.139 -5.886 1.00 13.42 C ATOM 1049 C PRO A 74 14.837 6.982 -5.016 1.00 23.13 C ATOM 1050 O PRO A 74 14.559 5.818 -5.298 1.00 63.34 O ATOM 1051 CB PRO A 74 15.501 8.739 -6.677 1.00 10.54 C ATOM 1052 CG PRO A 74 15.205 10.193 -6.736 1.00 31.31 C ATOM 1053 CD PRO A 74 14.531 10.528 -5.441 1.00 24.23 C ATOM 0 HA PRO A 74 13.555 7.712 -6.510 1.00 13.42 H new ATOM 0 HB2 PRO A 74 16.455 8.549 -6.186 1.00 10.54 H new ATOM 0 HB3 PRO A 74 15.565 8.307 -7.676 1.00 10.54 H new ATOM 0 HG2 PRO A 74 16.119 10.773 -6.862 1.00 31.31 H new ATOM 0 HG3 PRO A 74 14.560 10.426 -7.584 1.00 31.31 H new ATOM 0 HD2 PRO A 74 15.250 10.822 -4.677 1.00 24.23 H new ATOM 0 HD3 PRO A 74 13.830 11.355 -5.554 1.00 24.23 H new ATOM 1061 N GLU A 75 15.524 7.296 -3.934 1.00 12.32 N ATOM 1062 CA GLU A 75 15.990 6.276 -3.035 1.00 41.53 C ATOM 1063 C GLU A 75 14.961 5.925 -1.970 1.00 31.54 C ATOM 1064 O GLU A 75 15.105 6.226 -0.772 1.00 4.25 O ATOM 1065 CB GLU A 75 17.400 6.510 -2.456 1.00 13.43 C ATOM 1066 CG GLU A 75 17.660 7.885 -1.855 1.00 62.32 C ATOM 1067 CD GLU A 75 17.942 8.932 -2.893 1.00 54.23 C ATOM 1068 OE1 GLU A 75 19.131 9.085 -3.283 1.00 21.53 O ATOM 1069 OE2 GLU A 75 17.003 9.607 -3.345 1.00 70.44 O ATOM 0 H GLU A 75 15.768 8.249 -3.663 1.00 12.32 H new ATOM 0 HA GLU A 75 16.110 5.394 -3.664 1.00 41.53 H new ATOM 0 HB2 GLU A 75 17.584 5.760 -1.687 1.00 13.43 H new ATOM 0 HB3 GLU A 75 18.129 6.339 -3.248 1.00 13.43 H new ATOM 0 HG2 GLU A 75 16.794 8.188 -1.266 1.00 62.32 H new ATOM 0 HG3 GLU A 75 18.506 7.823 -1.170 1.00 62.32 H new ATOM 1076 N SER A 76 13.893 5.394 -2.456 1.00 53.35 N ATOM 1077 CA SER A 76 12.830 4.831 -1.676 1.00 71.04 C ATOM 1078 C SER A 76 12.527 3.500 -2.342 1.00 50.22 C ATOM 1079 O SER A 76 12.917 3.315 -3.509 1.00 43.04 O ATOM 1080 CB SER A 76 11.600 5.748 -1.719 1.00 52.22 C ATOM 1081 OG SER A 76 11.942 7.074 -1.330 1.00 64.44 O ATOM 0 H SER A 76 13.723 5.335 -3.460 1.00 53.35 H new ATOM 0 HA SER A 76 13.099 4.713 -0.626 1.00 71.04 H new ATOM 0 HB2 SER A 76 11.182 5.756 -2.726 1.00 52.22 H new ATOM 0 HB3 SER A 76 10.827 5.358 -1.057 1.00 52.22 H new ATOM 0 HG SER A 76 12.125 7.612 -2.128 1.00 64.44 H new ATOM 1087 N ASP A 77 11.888 2.566 -1.650 1.00 21.10 N ATOM 1088 CA ASP A 77 11.615 1.260 -2.268 1.00 71.51 C ATOM 1089 C ASP A 77 10.656 1.439 -3.438 1.00 43.45 C ATOM 1090 O ASP A 77 10.847 0.877 -4.525 1.00 11.40 O ATOM 1091 CB ASP A 77 11.076 0.249 -1.262 1.00 62.33 C ATOM 1092 CG ASP A 77 10.948 -1.125 -1.876 1.00 34.43 C ATOM 1093 OD1 ASP A 77 11.973 -1.856 -1.939 1.00 3.01 O ATOM 1094 OD2 ASP A 77 9.858 -1.484 -2.315 1.00 43.15 O ATOM 0 H ASP A 77 11.555 2.674 -0.692 1.00 21.10 H new ATOM 0 HA ASP A 77 12.557 0.855 -2.637 1.00 71.51 H new ATOM 0 HB2 ASP A 77 11.740 0.203 -0.399 1.00 62.33 H new ATOM 0 HB3 ASP A 77 10.103 0.579 -0.898 1.00 62.33 H new ATOM 1099 N ILE A 78 9.656 2.264 -3.216 1.00 32.15 N ATOM 1100 CA ILE A 78 8.739 2.702 -4.247 1.00 24.12 C ATOM 1101 C ILE A 78 8.508 4.184 -4.032 1.00 73.11 C ATOM 1102 O ILE A 78 8.409 4.638 -2.871 1.00 61.12 O ATOM 1103 CB ILE A 78 7.340 1.946 -4.295 1.00 72.14 C ATOM 1104 CG1 ILE A 78 6.461 2.144 -3.020 1.00 31.41 C ATOM 1105 CG2 ILE A 78 7.502 0.465 -4.623 1.00 53.00 C ATOM 1106 CD1 ILE A 78 6.998 1.529 -1.744 1.00 41.44 C ATOM 0 H ILE A 78 9.453 2.657 -2.297 1.00 32.15 H new ATOM 0 HA ILE A 78 9.203 2.469 -5.206 1.00 24.12 H new ATOM 0 HB ILE A 78 6.795 2.422 -5.110 1.00 72.14 H new ATOM 0 HG12 ILE A 78 6.328 3.213 -2.857 1.00 31.41 H new ATOM 0 HG13 ILE A 78 5.473 1.726 -3.215 1.00 31.41 H new ATOM 0 HG21 ILE A 78 6.522 -0.012 -4.645 1.00 53.00 H new ATOM 0 HG22 ILE A 78 7.980 0.358 -5.597 1.00 53.00 H new ATOM 0 HG23 ILE A 78 8.120 -0.011 -3.861 1.00 53.00 H new ATOM 0 HD11 ILE A 78 6.307 1.729 -0.925 1.00 41.44 H new ATOM 0 HD12 ILE A 78 7.103 0.452 -1.875 1.00 41.44 H new ATOM 0 HD13 ILE A 78 7.971 1.963 -1.512 1.00 41.44 H new ATOM 1118 N PHE A 79 8.475 4.950 -5.089 1.00 43.12 N ATOM 1119 CA PHE A 79 8.267 6.367 -4.938 1.00 72.34 C ATOM 1120 C PHE A 79 6.886 6.784 -5.393 1.00 22.50 C ATOM 1121 O PHE A 79 6.456 6.479 -6.500 1.00 43.53 O ATOM 1122 CB PHE A 79 9.392 7.235 -5.571 1.00 72.01 C ATOM 1123 CG PHE A 79 9.603 7.079 -7.058 1.00 74.14 C ATOM 1124 CD1 PHE A 79 8.902 7.867 -7.961 1.00 64.55 C ATOM 1125 CD2 PHE A 79 10.511 6.156 -7.548 1.00 72.44 C ATOM 1126 CE1 PHE A 79 9.099 7.729 -9.320 1.00 74.42 C ATOM 1127 CE2 PHE A 79 10.712 6.017 -8.906 1.00 61.31 C ATOM 1128 CZ PHE A 79 10.004 6.805 -9.794 1.00 51.32 C ATOM 0 H PHE A 79 8.587 4.625 -6.049 1.00 43.12 H new ATOM 0 HA PHE A 79 8.327 6.565 -3.868 1.00 72.34 H new ATOM 0 HB2 PHE A 79 9.172 8.283 -5.365 1.00 72.01 H new ATOM 0 HB3 PHE A 79 10.329 7.001 -5.066 1.00 72.01 H new ATOM 0 HD1 PHE A 79 8.194 8.596 -7.596 1.00 64.55 H new ATOM 0 HD2 PHE A 79 11.068 5.538 -6.860 1.00 72.44 H new ATOM 0 HE1 PHE A 79 8.544 8.345 -10.012 1.00 74.42 H new ATOM 0 HE2 PHE A 79 11.423 5.292 -9.275 1.00 61.31 H new ATOM 0 HZ PHE A 79 10.160 6.696 -10.857 1.00 51.32 H new ATOM 1138 N LEU A 80 6.197 7.437 -4.508 1.00 75.14 N ATOM 1139 CA LEU A 80 4.883 7.945 -4.742 1.00 41.31 C ATOM 1140 C LEU A 80 5.019 9.238 -5.504 1.00 11.51 C ATOM 1141 O LEU A 80 5.858 10.067 -5.170 1.00 12.52 O ATOM 1142 CB LEU A 80 4.152 8.188 -3.399 1.00 75.13 C ATOM 1143 CG LEU A 80 3.809 6.945 -2.529 1.00 20.12 C ATOM 1144 CD1 LEU A 80 5.035 6.190 -2.058 1.00 50.30 C ATOM 1145 CD2 LEU A 80 2.962 7.339 -1.341 1.00 43.23 C ATOM 0 H LEU A 80 6.548 7.637 -3.571 1.00 75.14 H new ATOM 0 HA LEU A 80 4.297 7.227 -5.315 1.00 41.31 H new ATOM 0 HB2 LEU A 80 4.767 8.859 -2.799 1.00 75.13 H new ATOM 0 HB3 LEU A 80 3.222 8.715 -3.613 1.00 75.13 H new ATOM 0 HG LEU A 80 3.246 6.271 -3.174 1.00 20.12 H new ATOM 0 HD11 LEU A 80 4.727 5.335 -1.457 1.00 50.30 H new ATOM 0 HD12 LEU A 80 5.601 5.841 -2.921 1.00 50.30 H new ATOM 0 HD13 LEU A 80 5.660 6.850 -1.457 1.00 50.30 H new ATOM 0 HD21 LEU A 80 2.734 6.454 -0.747 1.00 43.23 H new ATOM 0 HD22 LEU A 80 3.507 8.057 -0.728 1.00 43.23 H new ATOM 0 HD23 LEU A 80 2.033 7.790 -1.690 1.00 43.23 H new ATOM 1157 N ASP A 81 4.215 9.428 -6.510 1.00 74.42 N ATOM 1158 CA ASP A 81 4.360 10.597 -7.366 1.00 23.42 C ATOM 1159 C ASP A 81 3.486 11.775 -6.884 1.00 62.24 C ATOM 1160 O ASP A 81 2.911 12.520 -7.677 1.00 43.35 O ATOM 1161 CB ASP A 81 4.068 10.209 -8.823 1.00 73.02 C ATOM 1162 CG ASP A 81 4.561 11.234 -9.826 1.00 55.34 C ATOM 1163 OD1 ASP A 81 5.782 11.546 -9.824 1.00 45.33 O ATOM 1164 OD2 ASP A 81 3.762 11.698 -10.675 1.00 4.12 O ATOM 0 H ASP A 81 3.453 8.800 -6.767 1.00 74.42 H new ATOM 0 HA ASP A 81 5.390 10.949 -7.307 1.00 23.42 H new ATOM 0 HB2 ASP A 81 4.535 9.248 -9.037 1.00 73.02 H new ATOM 0 HB3 ASP A 81 2.993 10.076 -8.948 1.00 73.02 H new ATOM 1169 N ASP A 82 3.423 11.958 -5.577 1.00 32.41 N ATOM 1170 CA ASP A 82 2.650 13.065 -5.003 1.00 15.41 C ATOM 1171 C ASP A 82 3.569 13.909 -4.131 1.00 1.53 C ATOM 1172 O ASP A 82 4.526 13.388 -3.551 1.00 21.32 O ATOM 1173 CB ASP A 82 1.450 12.570 -4.176 1.00 11.03 C ATOM 1174 CG ASP A 82 0.474 13.691 -3.848 1.00 1.44 C ATOM 1175 OD1 ASP A 82 0.752 14.496 -2.953 1.00 3.54 O ATOM 1176 OD2 ASP A 82 -0.561 13.802 -4.519 1.00 20.33 O ATOM 0 H ASP A 82 3.890 11.365 -4.891 1.00 32.41 H new ATOM 0 HA ASP A 82 2.249 13.660 -5.823 1.00 15.41 H new ATOM 0 HB2 ASP A 82 0.929 11.787 -4.728 1.00 11.03 H new ATOM 0 HB3 ASP A 82 1.810 12.122 -3.250 1.00 11.03 H new ATOM 1181 N VAL A 83 3.268 15.185 -4.012 1.00 15.31 N ATOM 1182 CA VAL A 83 4.118 16.129 -3.298 1.00 10.13 C ATOM 1183 C VAL A 83 3.766 16.246 -1.810 1.00 73.10 C ATOM 1184 O VAL A 83 4.457 16.949 -1.060 1.00 5.33 O ATOM 1185 CB VAL A 83 4.084 17.540 -3.941 1.00 72.32 C ATOM 1186 CG1 VAL A 83 4.570 17.493 -5.381 1.00 63.03 C ATOM 1187 CG2 VAL A 83 2.686 18.145 -3.863 1.00 72.00 C ATOM 0 H VAL A 83 2.426 15.603 -4.407 1.00 15.31 H new ATOM 0 HA VAL A 83 5.126 15.721 -3.377 1.00 10.13 H new ATOM 0 HB VAL A 83 4.761 18.180 -3.375 1.00 72.32 H new ATOM 0 HG11 VAL A 83 4.536 18.495 -5.809 1.00 63.03 H new ATOM 0 HG12 VAL A 83 5.594 17.121 -5.407 1.00 63.03 H new ATOM 0 HG13 VAL A 83 3.928 16.829 -5.960 1.00 63.03 H new ATOM 0 HG21 VAL A 83 2.691 19.134 -4.321 1.00 72.00 H new ATOM 0 HG22 VAL A 83 1.982 17.504 -4.393 1.00 72.00 H new ATOM 0 HG23 VAL A 83 2.384 18.230 -2.819 1.00 72.00 H new ATOM 1197 N THR A 84 2.700 15.602 -1.380 1.00 24.44 N ATOM 1198 CA THR A 84 2.325 15.639 0.022 1.00 4.03 C ATOM 1199 C THR A 84 3.135 14.567 0.788 1.00 12.14 C ATOM 1200 O THR A 84 3.240 14.586 2.022 1.00 52.15 O ATOM 1201 CB THR A 84 0.780 15.407 0.193 1.00 71.33 C ATOM 1202 OG1 THR A 84 0.330 15.940 1.449 1.00 11.41 O ATOM 1203 CG2 THR A 84 0.415 13.920 0.137 1.00 21.30 C ATOM 0 H THR A 84 2.081 15.050 -1.974 1.00 24.44 H new ATOM 0 HA THR A 84 2.553 16.623 0.433 1.00 4.03 H new ATOM 0 HB THR A 84 0.290 15.920 -0.634 1.00 71.33 H new ATOM 0 HG1 THR A 84 -0.449 15.433 1.759 1.00 11.41 H new ATOM 0 HG21 THR A 84 -0.662 13.805 0.259 1.00 21.30 H new ATOM 0 HG22 THR A 84 0.717 13.507 -0.826 1.00 21.30 H new ATOM 0 HG23 THR A 84 0.930 13.389 0.937 1.00 21.30 H new ATOM 1211 N VAL A 85 3.758 13.692 0.025 1.00 55.11 N ATOM 1212 CA VAL A 85 4.496 12.567 0.543 1.00 75.30 C ATOM 1213 C VAL A 85 5.904 13.006 0.948 1.00 45.22 C ATOM 1214 O VAL A 85 6.565 13.749 0.218 1.00 74.50 O ATOM 1215 CB VAL A 85 4.573 11.461 -0.542 1.00 44.35 C ATOM 1216 CG1 VAL A 85 5.289 10.224 -0.042 1.00 62.42 C ATOM 1217 CG2 VAL A 85 3.183 11.101 -1.024 1.00 15.22 C ATOM 0 H VAL A 85 3.763 13.748 -0.993 1.00 55.11 H new ATOM 0 HA VAL A 85 3.988 12.174 1.423 1.00 75.30 H new ATOM 0 HB VAL A 85 5.152 11.861 -1.375 1.00 44.35 H new ATOM 0 HG11 VAL A 85 5.320 9.476 -0.834 1.00 62.42 H new ATOM 0 HG12 VAL A 85 6.306 10.485 0.250 1.00 62.42 H new ATOM 0 HG13 VAL A 85 4.757 9.819 0.819 1.00 62.42 H new ATOM 0 HG21 VAL A 85 3.252 10.324 -1.785 1.00 15.22 H new ATOM 0 HG22 VAL A 85 2.590 10.736 -0.185 1.00 15.22 H new ATOM 0 HG23 VAL A 85 2.705 11.984 -1.449 1.00 15.22 H new ATOM 1227 N SER A 86 6.333 12.574 2.113 1.00 64.14 N ATOM 1228 CA SER A 86 7.647 12.903 2.642 1.00 33.55 C ATOM 1229 C SER A 86 8.736 11.973 2.071 1.00 32.55 C ATOM 1230 O SER A 86 8.467 11.178 1.165 1.00 41.31 O ATOM 1231 CB SER A 86 7.597 12.782 4.161 1.00 42.41 C ATOM 1232 OG SER A 86 6.648 13.678 4.706 1.00 73.01 O ATOM 0 H SER A 86 5.778 11.979 2.729 1.00 64.14 H new ATOM 0 HA SER A 86 7.905 13.921 2.348 1.00 33.55 H new ATOM 0 HB2 SER A 86 7.341 11.760 4.441 1.00 42.41 H new ATOM 0 HB3 SER A 86 8.582 12.990 4.579 1.00 42.41 H new ATOM 0 HG SER A 86 6.698 13.652 5.684 1.00 73.01 H new ATOM 1238 N ARG A 87 9.968 12.108 2.587 1.00 75.31 N ATOM 1239 CA ARG A 87 11.093 11.229 2.228 1.00 5.31 C ATOM 1240 C ARG A 87 10.682 9.795 2.507 1.00 43.31 C ATOM 1241 O ARG A 87 10.810 8.911 1.667 1.00 12.01 O ATOM 1242 CB ARG A 87 12.308 11.585 3.099 1.00 60.42 C ATOM 1243 CG ARG A 87 13.530 10.695 2.920 1.00 44.32 C ATOM 1244 CD ARG A 87 14.168 10.835 1.556 1.00 13.12 C ATOM 1245 NE ARG A 87 15.300 9.915 1.416 1.00 64.21 N ATOM 1246 CZ ARG A 87 16.549 10.262 1.071 1.00 3.24 C ATOM 1247 NH1 ARG A 87 16.830 11.526 0.738 1.00 63.03 N ATOM 1248 NH2 ARG A 87 17.516 9.340 1.051 1.00 43.02 N ATOM 0 H ARG A 87 10.213 12.830 3.265 1.00 75.31 H new ATOM 0 HA ARG A 87 11.351 11.352 1.176 1.00 5.31 H new ATOM 0 HB2 ARG A 87 12.596 12.614 2.886 1.00 60.42 H new ATOM 0 HB3 ARG A 87 12.005 11.549 4.145 1.00 60.42 H new ATOM 0 HG2 ARG A 87 14.266 10.939 3.686 1.00 44.32 H new ATOM 0 HG3 ARG A 87 13.241 9.655 3.075 1.00 44.32 H new ATOM 0 HD2 ARG A 87 13.429 10.631 0.781 1.00 13.12 H new ATOM 0 HD3 ARG A 87 14.507 11.861 1.411 1.00 13.12 H new ATOM 0 HE ARG A 87 15.123 8.927 1.596 1.00 64.21 H new ATOM 0 HH11 ARG A 87 16.093 12.231 0.746 1.00 63.03 H new ATOM 0 HH12 ARG A 87 17.781 11.785 0.476 1.00 63.03 H new ATOM 0 HH21 ARG A 87 17.304 8.373 1.298 1.00 43.02 H new ATOM 0 HH22 ARG A 87 18.466 9.603 0.789 1.00 43.02 H new ATOM 1262 N ARG A 88 10.190 9.600 3.697 1.00 1.53 N ATOM 1263 CA ARG A 88 9.637 8.362 4.127 1.00 25.44 C ATOM 1264 C ARG A 88 8.254 8.694 4.653 1.00 33.23 C ATOM 1265 O ARG A 88 8.128 9.462 5.594 1.00 34.52 O ATOM 1266 CB ARG A 88 10.498 7.734 5.241 1.00 40.15 C ATOM 1267 CG ARG A 88 11.949 7.443 4.851 1.00 44.43 C ATOM 1268 CD ARG A 88 12.710 6.819 6.014 1.00 1.04 C ATOM 1269 NE ARG A 88 14.099 6.466 5.664 1.00 0.22 N ATOM 1270 CZ ARG A 88 14.741 5.356 6.077 1.00 72.41 C ATOM 1271 NH1 ARG A 88 14.140 4.490 6.899 1.00 22.14 N ATOM 1272 NH2 ARG A 88 15.988 5.133 5.683 1.00 22.22 N ATOM 0 H ARG A 88 10.165 10.326 4.413 1.00 1.53 H new ATOM 0 HA ARG A 88 9.600 7.638 3.313 1.00 25.44 H new ATOM 0 HB2 ARG A 88 10.496 8.403 6.102 1.00 40.15 H new ATOM 0 HB3 ARG A 88 10.030 6.803 5.560 1.00 40.15 H new ATOM 0 HG2 ARG A 88 11.971 6.770 3.994 1.00 44.43 H new ATOM 0 HG3 ARG A 88 12.440 8.367 4.544 1.00 44.43 H new ATOM 0 HD2 ARG A 88 12.717 7.515 6.853 1.00 1.04 H new ATOM 0 HD3 ARG A 88 12.185 5.924 6.347 1.00 1.04 H new ATOM 0 HE ARG A 88 14.612 7.111 5.064 1.00 0.22 H new ATOM 0 HH11 ARG A 88 13.188 4.667 7.219 1.00 22.14 H new ATOM 0 HH12 ARG A 88 14.634 3.652 7.207 1.00 22.14 H new ATOM 0 HH21 ARG A 88 16.456 5.800 5.070 1.00 22.22 H new ATOM 0 HH22 ARG A 88 16.478 4.294 5.993 1.00 22.22 H new ATOM 1286 N HIS A 89 7.236 8.185 4.016 1.00 10.11 N ATOM 1287 CA HIS A 89 5.865 8.492 4.403 1.00 33.33 C ATOM 1288 C HIS A 89 5.297 7.353 5.235 1.00 24.14 C ATOM 1289 O HIS A 89 4.774 7.552 6.329 1.00 61.23 O ATOM 1290 CB HIS A 89 5.017 8.719 3.142 1.00 1.21 C ATOM 1291 CG HIS A 89 3.606 9.197 3.384 1.00 33.41 C ATOM 1292 ND1 HIS A 89 3.226 10.473 3.064 1.00 11.34 N ATOM 1293 CD2 HIS A 89 2.536 8.529 3.881 1.00 15.14 C ATOM 1294 CE1 HIS A 89 1.945 10.554 3.374 1.00 24.22 C ATOM 1295 NE2 HIS A 89 1.484 9.400 3.875 1.00 43.44 N ATOM 0 H HIS A 89 7.319 7.551 3.221 1.00 10.11 H new ATOM 0 HA HIS A 89 5.848 9.400 5.006 1.00 33.33 H new ATOM 0 HB2 HIS A 89 5.525 9.447 2.510 1.00 1.21 H new ATOM 0 HB3 HIS A 89 4.974 7.785 2.581 1.00 1.21 H new ATOM 0 HD2 HIS A 89 2.519 7.503 4.218 1.00 15.14 H new ATOM 0 HE1 HIS A 89 1.343 11.441 3.240 1.00 24.22 H new ATOM 0 HE2 HIS A 89 0.533 9.209 4.190 1.00 43.44 H new ATOM 1303 N ALA A 90 5.410 6.167 4.728 1.00 15.13 N ATOM 1304 CA ALA A 90 4.910 5.010 5.413 1.00 61.14 C ATOM 1305 C ALA A 90 5.819 3.866 5.129 1.00 24.12 C ATOM 1306 O ALA A 90 6.397 3.787 4.037 1.00 23.24 O ATOM 1307 CB ALA A 90 3.488 4.684 4.963 1.00 12.23 C ATOM 0 H ALA A 90 5.850 5.969 3.829 1.00 15.13 H new ATOM 0 HA ALA A 90 4.879 5.205 6.485 1.00 61.14 H new ATOM 0 HB1 ALA A 90 3.131 3.803 5.496 1.00 12.23 H new ATOM 0 HB2 ALA A 90 2.835 5.529 5.180 1.00 12.23 H new ATOM 0 HB3 ALA A 90 3.482 4.487 3.891 1.00 12.23 H new ATOM 1313 N GLU A 91 6.001 3.013 6.079 1.00 53.41 N ATOM 1314 CA GLU A 91 6.831 1.880 5.862 1.00 63.41 C ATOM 1315 C GLU A 91 6.041 0.613 6.107 1.00 0.44 C ATOM 1316 O GLU A 91 5.388 0.443 7.148 1.00 3.22 O ATOM 1317 CB GLU A 91 8.109 1.960 6.708 1.00 23.43 C ATOM 1318 CG GLU A 91 9.132 0.882 6.388 1.00 4.31 C ATOM 1319 CD GLU A 91 10.471 1.161 7.009 1.00 15.42 C ATOM 1320 OE1 GLU A 91 11.248 1.955 6.425 1.00 4.15 O ATOM 1321 OE2 GLU A 91 10.785 0.599 8.076 1.00 4.01 O ATOM 0 H GLU A 91 5.588 3.079 7.009 1.00 53.41 H new ATOM 0 HA GLU A 91 7.159 1.866 4.823 1.00 63.41 H new ATOM 0 HB2 GLU A 91 8.569 2.937 6.561 1.00 23.43 H new ATOM 0 HB3 GLU A 91 7.840 1.889 7.762 1.00 23.43 H new ATOM 0 HG2 GLU A 91 8.764 -0.081 6.742 1.00 4.31 H new ATOM 0 HG3 GLU A 91 9.245 0.802 5.307 1.00 4.31 H new ATOM 1328 N PHE A 92 6.091 -0.247 5.139 1.00 3.42 N ATOM 1329 CA PHE A 92 5.391 -1.494 5.144 1.00 14.32 C ATOM 1330 C PHE A 92 6.410 -2.580 5.339 1.00 32.42 C ATOM 1331 O PHE A 92 7.293 -2.778 4.491 1.00 61.15 O ATOM 1332 CB PHE A 92 4.668 -1.717 3.800 1.00 1.31 C ATOM 1333 CG PHE A 92 3.621 -0.689 3.442 1.00 54.10 C ATOM 1334 CD1 PHE A 92 3.976 0.516 2.847 1.00 33.23 C ATOM 1335 CD2 PHE A 92 2.282 -0.940 3.681 1.00 4.03 C ATOM 1336 CE1 PHE A 92 3.016 1.448 2.506 1.00 40.20 C ATOM 1337 CE2 PHE A 92 1.315 -0.010 3.342 1.00 12.40 C ATOM 1338 CZ PHE A 92 1.684 1.185 2.755 1.00 12.14 C ATOM 0 H PHE A 92 6.640 -0.095 4.293 1.00 3.42 H new ATOM 0 HA PHE A 92 4.645 -1.499 5.939 1.00 14.32 H new ATOM 0 HB2 PHE A 92 5.415 -1.740 3.006 1.00 1.31 H new ATOM 0 HB3 PHE A 92 4.195 -2.699 3.821 1.00 1.31 H new ATOM 0 HD1 PHE A 92 5.017 0.726 2.649 1.00 33.23 H new ATOM 0 HD2 PHE A 92 1.988 -1.873 4.138 1.00 4.03 H new ATOM 0 HE1 PHE A 92 3.307 2.381 2.045 1.00 40.20 H new ATOM 0 HE2 PHE A 92 0.273 -0.218 3.536 1.00 12.40 H new ATOM 0 HZ PHE A 92 0.931 1.913 2.491 1.00 12.14 H new ATOM 1348 N ARG A 93 6.351 -3.245 6.435 1.00 24.01 N ATOM 1349 CA ARG A 93 7.299 -4.274 6.693 1.00 5.04 C ATOM 1350 C ARG A 93 6.607 -5.600 6.815 1.00 63.21 C ATOM 1351 O ARG A 93 5.456 -5.682 7.270 1.00 32.05 O ATOM 1352 CB ARG A 93 8.123 -3.992 7.952 1.00 43.02 C ATOM 1353 CG ARG A 93 8.887 -2.675 7.927 1.00 53.31 C ATOM 1354 CD ARG A 93 9.867 -2.595 9.082 1.00 33.22 C ATOM 1355 NE ARG A 93 10.958 -3.581 8.941 1.00 32.24 N ATOM 1356 CZ ARG A 93 11.290 -4.515 9.851 1.00 4.44 C ATOM 1357 NH1 ARG A 93 10.504 -4.741 10.908 1.00 72.51 N ATOM 1358 NH2 ARG A 93 12.378 -5.263 9.665 1.00 65.10 N ATOM 0 H ARG A 93 5.658 -3.098 7.169 1.00 24.01 H new ATOM 0 HA ARG A 93 7.988 -4.302 5.849 1.00 5.04 H new ATOM 0 HB2 ARG A 93 7.457 -3.994 8.815 1.00 43.02 H new ATOM 0 HB3 ARG A 93 8.833 -4.806 8.096 1.00 43.02 H new ATOM 0 HG2 ARG A 93 9.423 -2.579 6.983 1.00 53.31 H new ATOM 0 HG3 ARG A 93 8.186 -1.842 7.982 1.00 53.31 H new ATOM 0 HD2 ARG A 93 10.288 -1.591 9.133 1.00 33.22 H new ATOM 0 HD3 ARG A 93 9.339 -2.768 10.020 1.00 33.22 H new ATOM 0 HE ARG A 93 11.506 -3.551 8.081 1.00 32.24 H new ATOM 0 HH11 ARG A 93 9.645 -4.204 11.029 1.00 72.51 H new ATOM 0 HH12 ARG A 93 10.763 -5.451 11.593 1.00 72.51 H new ATOM 0 HH21 ARG A 93 12.955 -5.126 8.835 1.00 65.10 H new ATOM 0 HH22 ARG A 93 12.633 -5.972 10.352 1.00 65.10 H new ATOM 1372 N ILE A 94 7.281 -6.618 6.408 1.00 55.13 N ATOM 1373 CA ILE A 94 6.784 -7.939 6.542 1.00 31.34 C ATOM 1374 C ILE A 94 7.721 -8.666 7.465 1.00 45.01 C ATOM 1375 O ILE A 94 8.931 -8.674 7.277 1.00 72.43 O ATOM 1376 CB ILE A 94 6.545 -8.666 5.141 1.00 50.34 C ATOM 1377 CG1 ILE A 94 5.933 -10.105 5.266 1.00 24.43 C ATOM 1378 CG2 ILE A 94 7.788 -8.685 4.272 1.00 65.04 C ATOM 1379 CD1 ILE A 94 6.881 -11.220 5.694 1.00 63.55 C ATOM 0 H ILE A 94 8.200 -6.555 5.969 1.00 55.13 H new ATOM 0 HA ILE A 94 5.784 -7.930 6.976 1.00 31.34 H new ATOM 0 HB ILE A 94 5.795 -8.051 4.643 1.00 50.34 H new ATOM 0 HG12 ILE A 94 5.112 -10.064 5.981 1.00 24.43 H new ATOM 0 HG13 ILE A 94 5.503 -10.376 4.302 1.00 24.43 H new ATOM 0 HG21 ILE A 94 7.567 -9.191 3.332 1.00 65.04 H new ATOM 0 HG22 ILE A 94 8.105 -7.662 4.067 1.00 65.04 H new ATOM 0 HG23 ILE A 94 8.587 -9.215 4.791 1.00 65.04 H new ATOM 0 HD11 ILE A 94 6.336 -12.163 5.742 1.00 63.55 H new ATOM 0 HD12 ILE A 94 7.692 -11.306 4.970 1.00 63.55 H new ATOM 0 HD13 ILE A 94 7.294 -10.989 6.676 1.00 63.55 H new ATOM 1391 N ASN A 95 7.164 -9.157 8.501 1.00 2.41 N ATOM 1392 CA ASN A 95 7.859 -9.860 9.523 1.00 71.54 C ATOM 1393 C ASN A 95 7.483 -11.312 9.407 1.00 15.51 C ATOM 1394 O ASN A 95 6.369 -11.631 8.967 1.00 3.24 O ATOM 1395 CB ASN A 95 7.475 -9.280 10.904 1.00 2.12 C ATOM 1396 CG ASN A 95 8.120 -9.982 12.091 1.00 74.34 C ATOM 1397 OD1 ASN A 95 9.220 -10.527 12.000 1.00 62.42 O ATOM 1398 ND2 ASN A 95 7.447 -9.954 13.213 1.00 1.23 N ATOM 0 H ASN A 95 6.162 -9.080 8.676 1.00 2.41 H new ATOM 0 HA ASN A 95 8.939 -9.755 9.417 1.00 71.54 H new ATOM 0 HB2 ASN A 95 7.750 -8.226 10.929 1.00 2.12 H new ATOM 0 HB3 ASN A 95 6.392 -9.329 11.015 1.00 2.12 H new ATOM 0 HD21 ASN A 95 7.832 -10.393 14.049 1.00 1.23 H new ATOM 0 HD22 ASN A 95 6.538 -9.493 13.251 1.00 1.23 H new ATOM 1405 N GLU A 96 8.414 -12.190 9.726 1.00 64.24 N ATOM 1406 CA GLU A 96 8.217 -13.642 9.674 1.00 65.31 C ATOM 1407 C GLU A 96 6.946 -14.095 10.424 1.00 40.51 C ATOM 1408 O GLU A 96 6.389 -15.150 10.129 1.00 44.42 O ATOM 1409 CB GLU A 96 9.489 -14.350 10.179 1.00 34.24 C ATOM 1410 CG GLU A 96 9.953 -13.890 11.556 1.00 2.24 C ATOM 1411 CD GLU A 96 11.430 -14.115 11.774 1.00 54.14 C ATOM 1412 OE1 GLU A 96 12.222 -13.220 11.425 1.00 10.34 O ATOM 1413 OE2 GLU A 96 11.832 -15.169 12.305 1.00 52.12 O ATOM 0 H GLU A 96 9.347 -11.919 10.035 1.00 64.24 H new ATOM 0 HA GLU A 96 8.050 -13.932 8.637 1.00 65.31 H new ATOM 0 HB2 GLU A 96 9.306 -15.424 10.209 1.00 34.24 H new ATOM 0 HB3 GLU A 96 10.293 -14.184 9.462 1.00 34.24 H new ATOM 0 HG2 GLU A 96 9.729 -12.830 11.676 1.00 2.24 H new ATOM 0 HG3 GLU A 96 9.391 -14.424 12.322 1.00 2.24 H new ATOM 1420 N GLY A 97 6.489 -13.279 11.359 1.00 33.33 N ATOM 1421 CA GLY A 97 5.263 -13.555 12.045 1.00 0.01 C ATOM 1422 C GLY A 97 4.044 -12.905 11.367 1.00 24.53 C ATOM 1423 O GLY A 97 3.047 -13.594 11.093 1.00 23.44 O ATOM 0 H GLY A 97 6.958 -12.422 11.652 1.00 33.33 H new ATOM 0 HA2 GLY A 97 5.114 -14.634 12.094 1.00 0.01 H new ATOM 0 HA3 GLY A 97 5.337 -13.196 13.072 1.00 0.01 H new ATOM 1427 N GLU A 98 4.116 -11.585 11.087 1.00 4.03 N ATOM 1428 CA GLU A 98 2.977 -10.821 10.532 1.00 13.20 C ATOM 1429 C GLU A 98 3.433 -9.651 9.647 1.00 14.20 C ATOM 1430 O GLU A 98 4.612 -9.356 9.553 1.00 61.31 O ATOM 1431 CB GLU A 98 2.137 -10.241 11.664 1.00 32.11 C ATOM 1432 CG GLU A 98 1.370 -11.251 12.471 1.00 14.41 C ATOM 1433 CD GLU A 98 0.621 -10.625 13.592 1.00 4.25 C ATOM 1434 OE1 GLU A 98 1.247 -10.325 14.633 1.00 32.34 O ATOM 1435 OE2 GLU A 98 -0.598 -10.445 13.478 1.00 22.04 O ATOM 0 H GLU A 98 4.955 -11.025 11.237 1.00 4.03 H new ATOM 0 HA GLU A 98 2.401 -11.520 9.926 1.00 13.20 H new ATOM 0 HB2 GLU A 98 2.793 -9.686 12.334 1.00 32.11 H new ATOM 0 HB3 GLU A 98 1.432 -9.525 11.242 1.00 32.11 H new ATOM 0 HG2 GLU A 98 0.672 -11.779 11.821 1.00 14.41 H new ATOM 0 HG3 GLU A 98 2.060 -11.995 12.869 1.00 14.41 H new ATOM 1442 N PHE A 99 2.474 -8.980 9.035 1.00 45.15 N ATOM 1443 CA PHE A 99 2.721 -7.795 8.218 1.00 20.14 C ATOM 1444 C PHE A 99 2.423 -6.559 9.063 1.00 64.54 C ATOM 1445 O PHE A 99 1.353 -6.475 9.698 1.00 22.23 O ATOM 1446 CB PHE A 99 1.799 -7.774 6.994 1.00 42.13 C ATOM 1447 CG PHE A 99 1.960 -8.891 6.007 1.00 13.32 C ATOM 1448 CD1 PHE A 99 1.426 -10.142 6.260 1.00 3.02 C ATOM 1449 CD2 PHE A 99 2.621 -8.680 4.814 1.00 52.43 C ATOM 1450 CE1 PHE A 99 1.553 -11.159 5.347 1.00 45.21 C ATOM 1451 CE2 PHE A 99 2.748 -9.696 3.891 1.00 31.54 C ATOM 1452 CZ PHE A 99 2.212 -10.938 4.161 1.00 15.24 C ATOM 0 H PHE A 99 1.490 -9.241 9.089 1.00 45.15 H new ATOM 0 HA PHE A 99 3.757 -7.808 7.881 1.00 20.14 H new ATOM 0 HB2 PHE A 99 0.767 -7.778 7.346 1.00 42.13 H new ATOM 0 HB3 PHE A 99 1.953 -6.832 6.469 1.00 42.13 H new ATOM 0 HD1 PHE A 99 0.903 -10.321 7.188 1.00 3.02 H new ATOM 0 HD2 PHE A 99 3.043 -7.709 4.601 1.00 52.43 H new ATOM 0 HE1 PHE A 99 1.136 -12.132 5.560 1.00 45.21 H new ATOM 0 HE2 PHE A 99 3.265 -9.520 2.960 1.00 31.54 H new ATOM 0 HZ PHE A 99 2.310 -11.737 3.441 1.00 15.24 H new ATOM 1462 N GLU A 100 3.313 -5.605 9.061 1.00 44.52 N ATOM 1463 CA GLU A 100 3.155 -4.440 9.897 1.00 22.10 C ATOM 1464 C GLU A 100 3.388 -3.157 9.105 1.00 61.44 C ATOM 1465 O GLU A 100 4.398 -3.014 8.405 1.00 33.42 O ATOM 1466 CB GLU A 100 4.118 -4.541 11.082 1.00 40.14 C ATOM 1467 CG GLU A 100 4.014 -3.419 12.095 1.00 12.31 C ATOM 1468 CD GLU A 100 4.895 -3.669 13.286 1.00 65.41 C ATOM 1469 OE1 GLU A 100 6.091 -3.322 13.242 1.00 74.40 O ATOM 1470 OE2 GLU A 100 4.410 -4.251 14.280 1.00 71.11 O ATOM 0 H GLU A 100 4.158 -5.609 8.490 1.00 44.52 H new ATOM 0 HA GLU A 100 2.131 -4.403 10.269 1.00 22.10 H new ATOM 0 HB2 GLU A 100 3.942 -5.488 11.593 1.00 40.14 H new ATOM 0 HB3 GLU A 100 5.138 -4.570 10.699 1.00 40.14 H new ATOM 0 HG2 GLU A 100 4.294 -2.476 11.625 1.00 12.31 H new ATOM 0 HG3 GLU A 100 2.979 -3.317 12.422 1.00 12.31 H new ATOM 1477 N VAL A 101 2.454 -2.246 9.201 1.00 31.23 N ATOM 1478 CA VAL A 101 2.571 -0.964 8.539 1.00 21.23 C ATOM 1479 C VAL A 101 2.625 0.169 9.569 1.00 10.25 C ATOM 1480 O VAL A 101 1.752 0.290 10.435 1.00 74.23 O ATOM 1481 CB VAL A 101 1.439 -0.719 7.476 1.00 33.03 C ATOM 1482 CG1 VAL A 101 0.043 -0.891 8.072 1.00 12.03 C ATOM 1483 CG2 VAL A 101 1.579 0.666 6.844 1.00 14.12 C ATOM 0 H VAL A 101 1.594 -2.367 9.736 1.00 31.23 H new ATOM 0 HA VAL A 101 3.509 -0.976 7.984 1.00 21.23 H new ATOM 0 HB VAL A 101 1.560 -1.476 6.701 1.00 33.03 H new ATOM 0 HG11 VAL A 101 -0.706 -0.712 7.301 1.00 12.03 H new ATOM 0 HG12 VAL A 101 -0.066 -1.905 8.456 1.00 12.03 H new ATOM 0 HG13 VAL A 101 -0.096 -0.178 8.885 1.00 12.03 H new ATOM 0 HG21 VAL A 101 0.785 0.814 6.112 1.00 14.12 H new ATOM 0 HG22 VAL A 101 1.504 1.429 7.619 1.00 14.12 H new ATOM 0 HG23 VAL A 101 2.548 0.744 6.350 1.00 14.12 H new ATOM 1493 N VAL A 102 3.682 0.932 9.517 1.00 41.14 N ATOM 1494 CA VAL A 102 3.857 2.073 10.394 1.00 43.33 C ATOM 1495 C VAL A 102 3.975 3.351 9.570 1.00 33.41 C ATOM 1496 O VAL A 102 4.626 3.351 8.503 1.00 33.12 O ATOM 1497 CB VAL A 102 5.105 1.922 11.331 1.00 34.32 C ATOM 1498 CG1 VAL A 102 4.924 0.756 12.288 1.00 75.22 C ATOM 1499 CG2 VAL A 102 6.393 1.742 10.527 1.00 11.23 C ATOM 0 H VAL A 102 4.453 0.785 8.865 1.00 41.14 H new ATOM 0 HA VAL A 102 2.977 2.126 11.035 1.00 43.33 H new ATOM 0 HB VAL A 102 5.190 2.843 11.907 1.00 34.32 H new ATOM 0 HG11 VAL A 102 5.802 0.671 12.928 1.00 75.22 H new ATOM 0 HG12 VAL A 102 4.041 0.925 12.904 1.00 75.22 H new ATOM 0 HG13 VAL A 102 4.799 -0.165 11.719 1.00 75.22 H new ATOM 0 HG21 VAL A 102 7.237 1.641 11.210 1.00 11.23 H new ATOM 0 HG22 VAL A 102 6.315 0.846 9.911 1.00 11.23 H new ATOM 0 HG23 VAL A 102 6.547 2.611 9.887 1.00 11.23 H new ATOM 1509 N ASP A 103 3.321 4.414 9.985 1.00 3.11 N ATOM 1510 CA ASP A 103 3.500 5.663 9.274 1.00 71.33 C ATOM 1511 C ASP A 103 4.702 6.364 9.844 1.00 2.34 C ATOM 1512 O ASP A 103 4.979 6.280 11.051 1.00 41.40 O ATOM 1513 CB ASP A 103 2.276 6.607 9.337 1.00 21.34 C ATOM 1514 CG ASP A 103 2.140 7.383 10.639 1.00 31.24 C ATOM 1515 OD1 ASP A 103 2.715 8.494 10.766 1.00 72.23 O ATOM 1516 OD2 ASP A 103 1.443 6.929 11.546 1.00 33.21 O ATOM 0 H ASP A 103 2.683 4.443 10.780 1.00 3.11 H new ATOM 0 HA ASP A 103 3.633 5.416 8.221 1.00 71.33 H new ATOM 0 HB2 ASP A 103 2.338 7.316 8.512 1.00 21.34 H new ATOM 0 HB3 ASP A 103 1.372 6.018 9.184 1.00 21.34 H new ATOM 1521 N VAL A 104 5.437 7.005 9.001 1.00 74.03 N ATOM 1522 CA VAL A 104 6.586 7.782 9.417 1.00 30.43 C ATOM 1523 C VAL A 104 6.476 9.194 8.842 1.00 52.12 C ATOM 1524 O VAL A 104 7.408 9.999 8.902 1.00 55.52 O ATOM 1525 CB VAL A 104 7.938 7.100 9.026 1.00 0.04 C ATOM 1526 CG1 VAL A 104 8.177 5.848 9.861 1.00 41.45 C ATOM 1527 CG2 VAL A 104 7.962 6.731 7.559 1.00 34.34 C ATOM 0 H VAL A 104 5.269 7.014 7.995 1.00 74.03 H new ATOM 0 HA VAL A 104 6.587 7.840 10.505 1.00 30.43 H new ATOM 0 HB VAL A 104 8.731 7.822 9.223 1.00 0.04 H new ATOM 0 HG11 VAL A 104 9.123 5.392 9.570 1.00 41.45 H new ATOM 0 HG12 VAL A 104 8.213 6.116 10.917 1.00 41.45 H new ATOM 0 HG13 VAL A 104 7.366 5.139 9.694 1.00 41.45 H new ATOM 0 HG21 VAL A 104 8.915 6.259 7.318 1.00 34.34 H new ATOM 0 HG22 VAL A 104 7.149 6.037 7.345 1.00 34.34 H new ATOM 0 HG23 VAL A 104 7.840 7.630 6.956 1.00 34.34 H new ATOM 1537 N GLY A 105 5.298 9.488 8.335 1.00 73.41 N ATOM 1538 CA GLY A 105 5.017 10.759 7.750 1.00 71.33 C ATOM 1539 C GLY A 105 3.534 10.994 7.660 1.00 61.34 C ATOM 1540 O GLY A 105 2.959 11.011 6.578 1.00 23.42 O ATOM 0 H GLY A 105 4.510 8.840 8.322 1.00 73.41 H new ATOM 0 HA2 GLY A 105 5.478 11.547 8.345 1.00 71.33 H new ATOM 0 HA3 GLY A 105 5.458 10.811 6.755 1.00 71.33 H new ATOM 1544 N SER A 106 2.895 11.143 8.784 1.00 31.14 N ATOM 1545 CA SER A 106 1.489 11.404 8.794 1.00 75.45 C ATOM 1546 C SER A 106 1.252 12.908 8.734 1.00 70.43 C ATOM 1547 O SER A 106 1.064 13.572 9.756 1.00 31.34 O ATOM 1548 CB SER A 106 0.821 10.784 10.025 1.00 11.01 C ATOM 1549 OG SER A 106 -0.592 10.877 9.957 1.00 70.10 O ATOM 0 H SER A 106 3.328 11.088 9.706 1.00 31.14 H new ATOM 0 HA SER A 106 1.036 10.941 7.917 1.00 75.45 H new ATOM 0 HB2 SER A 106 1.113 9.737 10.109 1.00 11.01 H new ATOM 0 HB3 SER A 106 1.176 11.287 10.924 1.00 11.01 H new ATOM 0 HG SER A 106 -0.985 10.471 10.757 1.00 70.10 H new ATOM 1555 N LEU A 107 1.339 13.458 7.541 1.00 41.35 N ATOM 1556 CA LEU A 107 1.115 14.884 7.377 1.00 1.42 C ATOM 1557 C LEU A 107 -0.360 15.160 7.328 1.00 64.05 C ATOM 1558 O LEU A 107 -0.882 15.939 8.097 1.00 33.00 O ATOM 1559 CB LEU A 107 1.756 15.446 6.082 1.00 75.33 C ATOM 1560 CG LEU A 107 3.267 15.272 5.874 1.00 43.01 C ATOM 1561 CD1 LEU A 107 4.052 15.637 7.116 1.00 23.03 C ATOM 1562 CD2 LEU A 107 3.609 13.884 5.371 1.00 60.11 C ATOM 0 H LEU A 107 1.559 12.953 6.683 1.00 41.35 H new ATOM 0 HA LEU A 107 1.583 15.376 8.230 1.00 1.42 H new ATOM 0 HB2 LEU A 107 1.250 14.983 5.235 1.00 75.33 H new ATOM 0 HB3 LEU A 107 1.537 16.513 6.040 1.00 75.33 H new ATOM 0 HG LEU A 107 3.567 15.973 5.095 1.00 43.01 H new ATOM 0 HD11 LEU A 107 5.117 15.500 6.927 1.00 23.03 H new ATOM 0 HD12 LEU A 107 3.860 16.678 7.375 1.00 23.03 H new ATOM 0 HD13 LEU A 107 3.745 14.996 7.942 1.00 23.03 H new ATOM 0 HD21 LEU A 107 4.688 13.801 5.237 1.00 60.11 H new ATOM 0 HD22 LEU A 107 3.276 13.142 6.096 1.00 60.11 H new ATOM 0 HD23 LEU A 107 3.110 13.709 4.418 1.00 60.11 H new ATOM 1574 N ASN A 108 -1.043 14.448 6.463 1.00 31.44 N ATOM 1575 CA ASN A 108 -2.471 14.681 6.252 1.00 64.43 C ATOM 1576 C ASN A 108 -3.263 13.647 7.015 1.00 41.03 C ATOM 1577 O ASN A 108 -4.484 13.598 6.935 1.00 74.11 O ATOM 1578 CB ASN A 108 -2.835 14.563 4.765 1.00 15.23 C ATOM 1579 CG ASN A 108 -1.944 15.333 3.801 1.00 54.33 C ATOM 1580 OD1 ASN A 108 -1.743 14.892 2.674 1.00 10.30 O ATOM 1581 ND2 ASN A 108 -1.411 16.461 4.204 1.00 32.50 N ATOM 0 H ASN A 108 -0.644 13.703 5.891 1.00 31.44 H new ATOM 0 HA ASN A 108 -2.706 15.687 6.600 1.00 64.43 H new ATOM 0 HB2 ASN A 108 -2.813 13.509 4.488 1.00 15.23 H new ATOM 0 HB3 ASN A 108 -3.861 14.905 4.633 1.00 15.23 H new ATOM 0 HD21 ASN A 108 -0.812 16.996 3.575 1.00 32.50 H new ATOM 0 HD22 ASN A 108 -1.595 16.804 5.147 1.00 32.50 H new ATOM 1588 N GLY A 109 -2.555 12.815 7.737 1.00 52.33 N ATOM 1589 CA GLY A 109 -3.182 11.773 8.483 1.00 55.14 C ATOM 1590 C GLY A 109 -3.084 10.434 7.791 1.00 13.11 C ATOM 1591 O GLY A 109 -3.314 10.327 6.580 1.00 11.34 O ATOM 0 H GLY A 109 -1.539 12.846 7.819 1.00 52.33 H new ATOM 0 HA2 GLY A 109 -2.720 11.705 9.468 1.00 55.14 H new ATOM 0 HA3 GLY A 109 -4.231 12.022 8.640 1.00 55.14 H new ATOM 1595 N THR A 110 -2.666 9.444 8.520 1.00 13.54 N ATOM 1596 CA THR A 110 -2.672 8.101 8.033 1.00 62.12 C ATOM 1597 C THR A 110 -3.821 7.387 8.729 1.00 21.13 C ATOM 1598 O THR A 110 -3.867 7.317 9.964 1.00 21.34 O ATOM 1599 CB THR A 110 -1.322 7.404 8.321 1.00 22.31 C ATOM 1600 OG1 THR A 110 -0.262 8.246 7.827 1.00 55.14 O ATOM 1601 CG2 THR A 110 -1.256 6.053 7.613 1.00 60.20 C ATOM 0 H THR A 110 -2.311 9.546 9.471 1.00 13.54 H new ATOM 0 HA THR A 110 -2.806 8.079 6.951 1.00 62.12 H new ATOM 0 HB THR A 110 -1.220 7.242 9.394 1.00 22.31 H new ATOM 0 HG1 THR A 110 0.429 7.691 7.409 1.00 55.14 H new ATOM 0 HG21 THR A 110 -0.299 5.577 7.827 1.00 60.20 H new ATOM 0 HG22 THR A 110 -2.066 5.416 7.968 1.00 60.20 H new ATOM 0 HG23 THR A 110 -1.356 6.201 6.538 1.00 60.20 H new ATOM 1609 N TYR A 111 -4.761 6.904 7.960 1.00 33.34 N ATOM 1610 CA TYR A 111 -5.955 6.330 8.525 1.00 75.11 C ATOM 1611 C TYR A 111 -6.184 4.941 8.017 1.00 52.40 C ATOM 1612 O TYR A 111 -5.910 4.644 6.873 1.00 55.24 O ATOM 1613 CB TYR A 111 -7.200 7.147 8.142 1.00 40.22 C ATOM 1614 CG TYR A 111 -7.150 8.617 8.454 1.00 32.40 C ATOM 1615 CD1 TYR A 111 -7.447 9.092 9.717 1.00 12.12 C ATOM 1616 CD2 TYR A 111 -6.832 9.533 7.467 1.00 34.11 C ATOM 1617 CE1 TYR A 111 -7.419 10.442 9.991 1.00 22.24 C ATOM 1618 CE2 TYR A 111 -6.808 10.878 7.729 1.00 20.43 C ATOM 1619 CZ TYR A 111 -7.103 11.330 8.989 1.00 60.13 C ATOM 1620 OH TYR A 111 -7.086 12.682 9.248 1.00 23.01 O ATOM 0 H TYR A 111 -4.724 6.896 6.941 1.00 33.34 H new ATOM 0 HA TYR A 111 -5.808 6.328 9.605 1.00 75.11 H new ATOM 0 HB2 TYR A 111 -7.371 7.029 7.072 1.00 40.22 H new ATOM 0 HB3 TYR A 111 -8.062 6.717 8.652 1.00 40.22 H new ATOM 0 HD1 TYR A 111 -7.705 8.395 10.501 1.00 12.12 H new ATOM 0 HD2 TYR A 111 -6.599 9.182 6.473 1.00 34.11 H new ATOM 0 HE1 TYR A 111 -7.643 10.800 10.985 1.00 22.24 H new ATOM 0 HE2 TYR A 111 -6.558 11.579 6.946 1.00 20.43 H new ATOM 0 HH TYR A 111 -6.842 13.168 8.433 1.00 23.01 H new ATOM 1630 N VAL A 112 -6.686 4.116 8.863 1.00 34.50 N ATOM 1631 CA VAL A 112 -7.161 2.829 8.479 1.00 64.15 C ATOM 1632 C VAL A 112 -8.623 2.772 8.889 1.00 53.53 C ATOM 1633 O VAL A 112 -8.936 2.866 10.065 1.00 13.02 O ATOM 1634 CB VAL A 112 -6.308 1.648 9.083 1.00 72.25 C ATOM 1635 CG1 VAL A 112 -6.178 1.724 10.604 1.00 34.21 C ATOM 1636 CG2 VAL A 112 -6.872 0.292 8.657 1.00 12.41 C ATOM 0 H VAL A 112 -6.782 4.316 9.859 1.00 34.50 H new ATOM 0 HA VAL A 112 -7.058 2.692 7.402 1.00 64.15 H new ATOM 0 HB VAL A 112 -5.302 1.756 8.676 1.00 72.25 H new ATOM 0 HG11 VAL A 112 -5.581 0.885 10.960 1.00 34.21 H new ATOM 0 HG12 VAL A 112 -5.692 2.659 10.881 1.00 34.21 H new ATOM 0 HG13 VAL A 112 -7.169 1.682 11.056 1.00 34.21 H new ATOM 0 HG21 VAL A 112 -6.266 -0.505 9.087 1.00 12.41 H new ATOM 0 HG22 VAL A 112 -7.899 0.198 9.010 1.00 12.41 H new ATOM 0 HG23 VAL A 112 -6.854 0.216 7.570 1.00 12.41 H new ATOM 1646 N ASN A 113 -9.515 2.742 7.903 1.00 35.10 N ATOM 1647 CA ASN A 113 -10.983 2.759 8.151 1.00 50.34 C ATOM 1648 C ASN A 113 -11.391 3.980 8.976 1.00 61.02 C ATOM 1649 O ASN A 113 -12.234 3.893 9.874 1.00 25.20 O ATOM 1650 CB ASN A 113 -11.453 1.466 8.836 1.00 20.45 C ATOM 1651 CG ASN A 113 -11.449 0.270 7.914 1.00 24.01 C ATOM 1652 OD1 ASN A 113 -10.698 0.206 6.937 1.00 73.02 O ATOM 1653 ND2 ASN A 113 -12.276 -0.683 8.207 1.00 25.40 N ATOM 0 H ASN A 113 -9.262 2.706 6.916 1.00 35.10 H new ATOM 0 HA ASN A 113 -11.473 2.823 7.180 1.00 50.34 H new ATOM 0 HB2 ASN A 113 -10.809 1.260 9.691 1.00 20.45 H new ATOM 0 HB3 ASN A 113 -12.461 1.614 9.225 1.00 20.45 H new ATOM 0 HD21 ASN A 113 -12.320 -1.518 7.623 1.00 25.40 H new ATOM 0 HD22 ASN A 113 -12.883 -0.599 9.022 1.00 25.40 H new ATOM 1660 N ARG A 114 -10.788 5.128 8.629 1.00 62.13 N ATOM 1661 CA ARG A 114 -11.029 6.438 9.282 1.00 42.11 C ATOM 1662 C ARG A 114 -10.365 6.545 10.666 1.00 65.32 C ATOM 1663 O ARG A 114 -10.527 7.539 11.367 1.00 42.22 O ATOM 1664 CB ARG A 114 -12.541 6.843 9.357 1.00 75.24 C ATOM 1665 CG ARG A 114 -13.217 7.211 8.017 1.00 65.13 C ATOM 1666 CD ARG A 114 -13.435 6.012 7.083 1.00 32.13 C ATOM 1667 NE ARG A 114 -14.382 5.020 7.643 1.00 51.21 N ATOM 1668 CZ ARG A 114 -14.761 3.884 7.037 1.00 0.23 C ATOM 1669 NH1 ARG A 114 -14.247 3.540 5.877 1.00 63.22 N ATOM 1670 NH2 ARG A 114 -15.647 3.078 7.611 1.00 32.31 N ATOM 0 H ARG A 114 -10.105 5.180 7.873 1.00 62.13 H new ATOM 0 HA ARG A 114 -10.547 7.160 8.623 1.00 42.11 H new ATOM 0 HB2 ARG A 114 -13.095 6.018 9.805 1.00 75.24 H new ATOM 0 HB3 ARG A 114 -12.635 7.693 10.033 1.00 75.24 H new ATOM 0 HG2 ARG A 114 -14.180 7.679 8.223 1.00 65.13 H new ATOM 0 HG3 ARG A 114 -12.605 7.953 7.504 1.00 65.13 H new ATOM 0 HD2 ARG A 114 -13.811 6.367 6.124 1.00 32.13 H new ATOM 0 HD3 ARG A 114 -12.478 5.527 6.890 1.00 32.13 H new ATOM 0 HE ARG A 114 -14.778 5.216 8.563 1.00 51.21 H new ATOM 0 HH11 ARG A 114 -13.553 4.139 5.429 1.00 63.22 H new ATOM 0 HH12 ARG A 114 -14.542 2.674 5.425 1.00 63.22 H new ATOM 0 HH21 ARG A 114 -16.044 3.321 8.519 1.00 32.31 H new ATOM 0 HH22 ARG A 114 -15.930 2.216 7.144 1.00 32.31 H new ATOM 1684 N GLU A 115 -9.614 5.533 11.042 1.00 64.02 N ATOM 1685 CA GLU A 115 -8.898 5.521 12.311 1.00 75.12 C ATOM 1686 C GLU A 115 -7.452 5.953 12.098 1.00 24.22 C ATOM 1687 O GLU A 115 -6.707 5.277 11.384 1.00 63.14 O ATOM 1688 CB GLU A 115 -8.916 4.111 12.897 1.00 65.31 C ATOM 1689 CG GLU A 115 -10.282 3.632 13.322 1.00 14.03 C ATOM 1690 CD GLU A 115 -10.722 4.235 14.626 1.00 11.33 C ATOM 1691 OE1 GLU A 115 -11.170 5.396 14.665 1.00 13.05 O ATOM 1692 OE2 GLU A 115 -10.631 3.544 15.661 1.00 12.24 O ATOM 0 H GLU A 115 -9.479 4.692 10.481 1.00 64.02 H new ATOM 0 HA GLU A 115 -9.386 6.213 12.998 1.00 75.12 H new ATOM 0 HB2 GLU A 115 -8.515 3.418 12.158 1.00 65.31 H new ATOM 0 HB3 GLU A 115 -8.249 4.080 13.758 1.00 65.31 H new ATOM 0 HG2 GLU A 115 -11.008 3.880 12.547 1.00 14.03 H new ATOM 0 HG3 GLU A 115 -10.271 2.546 13.413 1.00 14.03 H new ATOM 1699 N PRO A 116 -7.037 7.086 12.672 1.00 52.00 N ATOM 1700 CA PRO A 116 -5.663 7.536 12.577 1.00 54.31 C ATOM 1701 C PRO A 116 -4.775 6.764 13.547 1.00 3.03 C ATOM 1702 O PRO A 116 -4.722 7.065 14.734 1.00 51.31 O ATOM 1703 CB PRO A 116 -5.727 9.022 12.946 1.00 70.22 C ATOM 1704 CG PRO A 116 -6.966 9.175 13.780 1.00 52.01 C ATOM 1705 CD PRO A 116 -7.876 8.008 13.464 1.00 20.50 C ATOM 0 HA PRO A 116 -5.235 7.376 11.588 1.00 54.31 H new ATOM 0 HB2 PRO A 116 -4.840 9.327 13.501 1.00 70.22 H new ATOM 0 HB3 PRO A 116 -5.775 9.646 12.054 1.00 70.22 H new ATOM 0 HG2 PRO A 116 -6.715 9.189 14.841 1.00 52.01 H new ATOM 0 HG3 PRO A 116 -7.463 10.119 13.558 1.00 52.01 H new ATOM 0 HD2 PRO A 116 -8.239 7.531 14.374 1.00 20.50 H new ATOM 0 HD3 PRO A 116 -8.752 8.330 12.901 1.00 20.50 H new ATOM 1713 N ARG A 117 -4.142 5.734 13.057 1.00 0.22 N ATOM 1714 CA ARG A 117 -3.308 4.888 13.888 1.00 52.42 C ATOM 1715 C ARG A 117 -1.883 5.048 13.417 1.00 54.15 C ATOM 1716 O ARG A 117 -1.660 5.253 12.224 1.00 44.24 O ATOM 1717 CB ARG A 117 -3.740 3.410 13.772 1.00 30.45 C ATOM 1718 CG ARG A 117 -5.241 3.163 13.975 1.00 41.32 C ATOM 1719 CD ARG A 117 -5.736 3.574 15.361 1.00 4.12 C ATOM 1720 NE ARG A 117 -5.221 2.712 16.430 1.00 4.22 N ATOM 1721 CZ ARG A 117 -5.425 2.913 17.744 1.00 35.02 C ATOM 1722 NH1 ARG A 117 -6.171 3.928 18.163 1.00 4.02 N ATOM 1723 NH2 ARG A 117 -4.912 2.076 18.624 1.00 33.51 N ATOM 0 H ARG A 117 -4.184 5.453 12.078 1.00 0.22 H new ATOM 0 HA ARG A 117 -3.405 5.179 14.934 1.00 52.42 H new ATOM 0 HB2 ARG A 117 -3.454 3.038 12.788 1.00 30.45 H new ATOM 0 HB3 ARG A 117 -3.187 2.825 14.507 1.00 30.45 H new ATOM 0 HG2 ARG A 117 -5.799 3.715 13.219 1.00 41.32 H new ATOM 0 HG3 ARG A 117 -5.453 2.105 13.819 1.00 41.32 H new ATOM 0 HD2 ARG A 117 -5.438 4.604 15.557 1.00 4.12 H new ATOM 0 HD3 ARG A 117 -6.826 3.549 15.374 1.00 4.12 H new ATOM 0 HE ARG A 117 -4.667 1.900 16.157 1.00 4.22 H new ATOM 0 HH11 ARG A 117 -6.595 4.563 17.486 1.00 4.02 H new ATOM 0 HH12 ARG A 117 -6.320 4.073 19.162 1.00 4.02 H new ATOM 0 HH21 ARG A 117 -4.361 1.278 18.308 1.00 33.51 H new ATOM 0 HH22 ARG A 117 -5.066 2.227 19.621 1.00 33.51 H new ATOM 1737 N ASN A 118 -0.938 4.974 14.324 1.00 25.55 N ATOM 1738 CA ASN A 118 0.475 5.163 13.980 1.00 14.11 C ATOM 1739 C ASN A 118 1.078 3.860 13.471 1.00 72.42 C ATOM 1740 O ASN A 118 1.874 3.841 12.523 1.00 12.25 O ATOM 1741 CB ASN A 118 1.259 5.702 15.187 1.00 51.44 C ATOM 1742 CG ASN A 118 2.731 6.015 14.898 1.00 13.31 C ATOM 1743 OD1 ASN A 118 3.582 5.911 15.786 1.00 41.14 O ATOM 1744 ND2 ASN A 118 3.047 6.433 13.697 1.00 53.53 N ATOM 0 H ASN A 118 -1.110 4.784 15.311 1.00 25.55 H new ATOM 0 HA ASN A 118 0.542 5.901 13.181 1.00 14.11 H new ATOM 0 HB2 ASN A 118 0.771 6.608 15.546 1.00 51.44 H new ATOM 0 HB3 ASN A 118 1.207 4.971 15.994 1.00 51.44 H new ATOM 0 HD21 ASN A 118 4.013 6.680 13.481 1.00 53.53 H new ATOM 0 HD22 ASN A 118 2.327 6.511 12.978 1.00 53.53 H new ATOM 1751 N ALA A 119 0.683 2.774 14.083 1.00 50.22 N ATOM 1752 CA ALA A 119 1.128 1.479 13.658 1.00 10.32 C ATOM 1753 C ALA A 119 -0.070 0.590 13.524 1.00 31.04 C ATOM 1754 O ALA A 119 -0.983 0.635 14.365 1.00 4.42 O ATOM 1755 CB ALA A 119 2.107 0.895 14.665 1.00 41.15 C ATOM 0 H ALA A 119 0.050 2.765 14.882 1.00 50.22 H new ATOM 0 HA ALA A 119 1.642 1.561 12.700 1.00 10.32 H new ATOM 0 HB1 ALA A 119 2.434 -0.088 14.326 1.00 41.15 H new ATOM 0 HB2 ALA A 119 2.971 1.553 14.757 1.00 41.15 H new ATOM 0 HB3 ALA A 119 1.618 0.800 15.635 1.00 41.15 H new ATOM 1761 N GLN A 120 -0.097 -0.206 12.498 1.00 43.30 N ATOM 1762 CA GLN A 120 -1.189 -1.097 12.288 1.00 35.22 C ATOM 1763 C GLN A 120 -0.716 -2.448 11.794 1.00 42.12 C ATOM 1764 O GLN A 120 0.280 -2.554 11.062 1.00 31.14 O ATOM 1765 CB GLN A 120 -2.239 -0.473 11.334 1.00 61.13 C ATOM 1766 CG GLN A 120 -3.481 -1.340 11.066 1.00 51.35 C ATOM 1767 CD GLN A 120 -4.278 -1.702 12.326 1.00 44.23 C ATOM 1768 OE1 GLN A 120 -3.736 -1.830 13.428 1.00 44.42 O ATOM 1769 NE2 GLN A 120 -5.546 -1.909 12.165 1.00 2.05 N ATOM 0 H GLN A 120 0.634 -0.254 11.789 1.00 43.30 H new ATOM 0 HA GLN A 120 -1.675 -1.261 13.250 1.00 35.22 H new ATOM 0 HB2 GLN A 120 -2.565 0.480 11.752 1.00 61.13 H new ATOM 0 HB3 GLN A 120 -1.756 -0.255 10.381 1.00 61.13 H new ATOM 0 HG2 GLN A 120 -4.137 -0.812 10.374 1.00 51.35 H new ATOM 0 HG3 GLN A 120 -3.169 -2.259 10.570 1.00 51.35 H new ATOM 0 HE21 GLN A 120 -5.968 -1.796 11.243 1.00 2.05 H new ATOM 0 HE22 GLN A 120 -6.123 -2.185 12.960 1.00 2.05 H new ATOM 1778 N VAL A 121 -1.409 -3.466 12.215 1.00 22.33 N ATOM 1779 CA VAL A 121 -1.162 -4.807 11.772 1.00 2.32 C ATOM 1780 C VAL A 121 -2.069 -5.028 10.582 1.00 44.12 C ATOM 1781 O VAL A 121 -3.232 -4.611 10.630 1.00 31.42 O ATOM 1782 CB VAL A 121 -1.480 -5.850 12.882 1.00 32.15 C ATOM 1783 CG1 VAL A 121 -1.185 -7.270 12.408 1.00 32.31 C ATOM 1784 CG2 VAL A 121 -0.700 -5.545 14.153 1.00 60.31 C ATOM 0 H VAL A 121 -2.173 -3.386 12.886 1.00 22.33 H new ATOM 0 HA VAL A 121 -0.110 -4.935 11.518 1.00 2.32 H new ATOM 0 HB VAL A 121 -2.545 -5.780 13.103 1.00 32.15 H new ATOM 0 HG11 VAL A 121 -1.417 -7.976 13.206 1.00 32.31 H new ATOM 0 HG12 VAL A 121 -1.796 -7.496 11.534 1.00 32.31 H new ATOM 0 HG13 VAL A 121 -0.131 -7.354 12.145 1.00 32.31 H new ATOM 0 HG21 VAL A 121 -0.939 -6.288 14.914 1.00 60.31 H new ATOM 0 HG22 VAL A 121 0.369 -5.575 13.940 1.00 60.31 H new ATOM 0 HG23 VAL A 121 -0.970 -4.553 14.516 1.00 60.31 H new ATOM 1794 N MET A 122 -1.520 -5.603 9.517 1.00 71.13 N ATOM 1795 CA MET A 122 -2.238 -5.853 8.244 1.00 74.12 C ATOM 1796 C MET A 122 -3.678 -6.309 8.442 1.00 1.35 C ATOM 1797 O MET A 122 -3.956 -7.262 9.184 1.00 73.34 O ATOM 1798 CB MET A 122 -1.457 -6.874 7.398 1.00 34.23 C ATOM 1799 CG MET A 122 -2.068 -7.270 6.036 1.00 53.43 C ATOM 1800 SD MET A 122 -3.481 -8.415 6.102 1.00 55.31 S ATOM 1801 CE MET A 122 -2.703 -9.892 6.759 1.00 53.53 C ATOM 0 H MET A 122 -0.550 -5.918 9.500 1.00 71.13 H new ATOM 0 HA MET A 122 -2.294 -4.900 7.718 1.00 74.12 H new ATOM 0 HB2 MET A 122 -0.460 -6.472 7.218 1.00 34.23 H new ATOM 0 HB3 MET A 122 -1.333 -7.781 7.990 1.00 34.23 H new ATOM 0 HG2 MET A 122 -2.385 -6.362 5.524 1.00 53.43 H new ATOM 0 HG3 MET A 122 -1.286 -7.723 5.427 1.00 53.43 H new ATOM 0 HE1 MET A 122 -3.346 -10.753 6.578 1.00 53.53 H new ATOM 0 HE2 MET A 122 -1.742 -10.047 6.268 1.00 53.53 H new ATOM 0 HE3 MET A 122 -2.547 -9.775 7.831 1.00 53.53 H new ATOM 1811 N GLN A 123 -4.582 -5.616 7.792 1.00 31.13 N ATOM 1812 CA GLN A 123 -5.960 -5.944 7.838 1.00 65.40 C ATOM 1813 C GLN A 123 -6.423 -6.015 6.388 1.00 71.31 C ATOM 1814 O GLN A 123 -6.236 -5.063 5.630 1.00 62.42 O ATOM 1815 CB GLN A 123 -6.698 -4.855 8.618 1.00 74.43 C ATOM 1816 CG GLN A 123 -7.719 -5.385 9.601 1.00 25.24 C ATOM 1817 CD GLN A 123 -8.375 -4.288 10.404 1.00 61.02 C ATOM 1818 OE1 GLN A 123 -7.889 -3.900 11.470 1.00 23.25 O ATOM 1819 NE2 GLN A 123 -9.470 -3.781 9.920 1.00 12.40 N ATOM 0 H GLN A 123 -4.365 -4.803 7.215 1.00 31.13 H new ATOM 0 HA GLN A 123 -6.156 -6.892 8.339 1.00 65.40 H new ATOM 0 HB2 GLN A 123 -5.968 -4.252 9.158 1.00 74.43 H new ATOM 0 HB3 GLN A 123 -7.199 -4.193 7.912 1.00 74.43 H new ATOM 0 HG2 GLN A 123 -8.484 -5.941 9.060 1.00 25.24 H new ATOM 0 HG3 GLN A 123 -7.234 -6.087 10.280 1.00 25.24 H new ATOM 0 HE21 GLN A 123 -9.844 -4.125 9.036 1.00 12.40 H new ATOM 0 HE22 GLN A 123 -9.955 -3.039 10.424 1.00 12.40 H new ATOM 1828 N THR A 124 -6.983 -7.129 6.003 1.00 30.14 N ATOM 1829 CA THR A 124 -7.342 -7.362 4.629 1.00 4.11 C ATOM 1830 C THR A 124 -8.782 -6.962 4.334 1.00 23.34 C ATOM 1831 O THR A 124 -9.714 -7.311 5.068 1.00 31.32 O ATOM 1832 CB THR A 124 -7.061 -8.843 4.194 1.00 44.14 C ATOM 1833 OG1 THR A 124 -7.519 -9.090 2.847 1.00 54.33 O ATOM 1834 CG2 THR A 124 -7.701 -9.853 5.142 1.00 15.44 C ATOM 0 H THR A 124 -7.204 -7.901 6.632 1.00 30.14 H new ATOM 0 HA THR A 124 -6.701 -6.717 4.028 1.00 4.11 H new ATOM 0 HB THR A 124 -5.980 -8.974 4.234 1.00 44.14 H new ATOM 0 HG1 THR A 124 -7.629 -10.054 2.711 1.00 54.33 H new ATOM 0 HG21 THR A 124 -7.479 -10.864 4.800 1.00 15.44 H new ATOM 0 HG22 THR A 124 -7.301 -9.714 6.146 1.00 15.44 H new ATOM 0 HG23 THR A 124 -8.781 -9.704 5.158 1.00 15.44 H new ATOM 1842 N GLY A 125 -8.947 -6.205 3.273 1.00 61.44 N ATOM 1843 CA GLY A 125 -10.252 -5.785 2.839 1.00 42.10 C ATOM 1844 C GLY A 125 -10.600 -4.433 3.383 1.00 63.12 C ATOM 1845 O GLY A 125 -11.706 -3.918 3.160 1.00 11.23 O ATOM 0 H GLY A 125 -8.181 -5.866 2.691 1.00 61.44 H new ATOM 0 HA2 GLY A 125 -10.284 -5.760 1.750 1.00 42.10 H new ATOM 0 HA3 GLY A 125 -10.996 -6.512 3.163 1.00 42.10 H new ATOM 1849 N ASP A 126 -9.668 -3.853 4.084 1.00 60.04 N ATOM 1850 CA ASP A 126 -9.882 -2.581 4.707 1.00 4.01 C ATOM 1851 C ASP A 126 -9.142 -1.485 3.977 1.00 23.54 C ATOM 1852 O ASP A 126 -8.280 -1.764 3.120 1.00 31.14 O ATOM 1853 CB ASP A 126 -9.561 -2.634 6.202 1.00 75.40 C ATOM 1854 CG ASP A 126 -10.569 -3.487 6.961 1.00 3.51 C ATOM 1855 OD1 ASP A 126 -11.730 -3.060 7.125 1.00 22.01 O ATOM 1856 OD2 ASP A 126 -10.231 -4.604 7.408 1.00 45.24 O ATOM 0 H ASP A 126 -8.741 -4.249 4.239 1.00 60.04 H new ATOM 0 HA ASP A 126 -10.941 -2.335 4.633 1.00 4.01 H new ATOM 0 HB2 ASP A 126 -8.559 -3.039 6.346 1.00 75.40 H new ATOM 0 HB3 ASP A 126 -9.558 -1.623 6.610 1.00 75.40 H new ATOM 1861 N GLU A 127 -9.455 -0.253 4.306 1.00 72.44 N ATOM 1862 CA GLU A 127 -8.932 0.883 3.572 1.00 3.42 C ATOM 1863 C GLU A 127 -7.906 1.653 4.379 1.00 32.02 C ATOM 1864 O GLU A 127 -8.131 1.993 5.551 1.00 10.53 O ATOM 1865 CB GLU A 127 -10.072 1.808 3.110 1.00 12.21 C ATOM 1866 CG GLU A 127 -10.993 2.256 4.236 1.00 52.55 C ATOM 1867 CD GLU A 127 -12.062 3.217 3.790 1.00 1.15 C ATOM 1868 OE1 GLU A 127 -12.836 2.897 2.872 1.00 51.33 O ATOM 1869 OE2 GLU A 127 -12.162 4.324 4.352 1.00 42.53 O ATOM 0 H GLU A 127 -10.072 -0.008 5.080 1.00 72.44 H new ATOM 0 HA GLU A 127 -8.425 0.494 2.689 1.00 3.42 H new ATOM 0 HB2 GLU A 127 -9.642 2.689 2.632 1.00 12.21 H new ATOM 0 HB3 GLU A 127 -10.663 1.291 2.353 1.00 12.21 H new ATOM 0 HG2 GLU A 127 -11.465 1.379 4.679 1.00 52.55 H new ATOM 0 HG3 GLU A 127 -10.396 2.726 5.018 1.00 52.55 H new ATOM 1876 N ILE A 128 -6.798 1.930 3.753 1.00 31.35 N ATOM 1877 CA ILE A 128 -5.725 2.655 4.368 1.00 14.33 C ATOM 1878 C ILE A 128 -5.477 3.942 3.588 1.00 62.13 C ATOM 1879 O ILE A 128 -5.076 3.917 2.418 1.00 23.04 O ATOM 1880 CB ILE A 128 -4.410 1.817 4.432 1.00 32.32 C ATOM 1881 CG1 ILE A 128 -4.653 0.491 5.183 1.00 1.43 C ATOM 1882 CG2 ILE A 128 -3.297 2.621 5.117 1.00 51.55 C ATOM 1883 CD1 ILE A 128 -3.437 -0.417 5.261 1.00 13.25 C ATOM 0 H ILE A 128 -6.613 1.655 2.788 1.00 31.35 H new ATOM 0 HA ILE A 128 -6.018 2.882 5.393 1.00 14.33 H new ATOM 0 HB ILE A 128 -4.096 1.587 3.414 1.00 32.32 H new ATOM 0 HG12 ILE A 128 -4.988 0.717 6.195 1.00 1.43 H new ATOM 0 HG13 ILE A 128 -5.463 -0.048 4.692 1.00 1.43 H new ATOM 0 HG21 ILE A 128 -2.386 2.023 5.154 1.00 51.55 H new ATOM 0 HG22 ILE A 128 -3.109 3.535 4.553 1.00 51.55 H new ATOM 0 HG23 ILE A 128 -3.604 2.877 6.131 1.00 51.55 H new ATOM 0 HD11 ILE A 128 -3.696 -1.326 5.805 1.00 13.25 H new ATOM 0 HD12 ILE A 128 -3.112 -0.677 4.254 1.00 13.25 H new ATOM 0 HD13 ILE A 128 -2.630 0.099 5.781 1.00 13.25 H new ATOM 1895 N GLN A 129 -5.751 5.041 4.213 1.00 23.24 N ATOM 1896 CA GLN A 129 -5.521 6.327 3.635 1.00 61.34 C ATOM 1897 C GLN A 129 -4.183 6.841 4.094 1.00 65.44 C ATOM 1898 O GLN A 129 -3.978 7.110 5.281 1.00 63.03 O ATOM 1899 CB GLN A 129 -6.633 7.323 4.001 1.00 51.23 C ATOM 1900 CG GLN A 129 -6.338 8.758 3.557 1.00 50.10 C ATOM 1901 CD GLN A 129 -7.419 9.742 3.941 1.00 34.33 C ATOM 1902 OE1 GLN A 129 -8.596 9.409 3.995 1.00 74.03 O ATOM 1903 NE2 GLN A 129 -7.027 10.958 4.236 1.00 63.42 N ATOM 0 H GLN A 129 -6.146 5.072 5.153 1.00 23.24 H new ATOM 0 HA GLN A 129 -5.526 6.225 2.550 1.00 61.34 H new ATOM 0 HB2 GLN A 129 -7.568 6.995 3.546 1.00 51.23 H new ATOM 0 HB3 GLN A 129 -6.782 7.309 5.081 1.00 51.23 H new ATOM 0 HG2 GLN A 129 -5.393 9.079 3.996 1.00 50.10 H new ATOM 0 HG3 GLN A 129 -6.209 8.776 2.475 1.00 50.10 H new ATOM 0 HE21 GLN A 129 -6.038 11.203 4.181 1.00 63.42 H new ATOM 0 HE22 GLN A 129 -7.711 11.659 4.521 1.00 63.42 H new ATOM 1912 N ILE A 130 -3.280 6.943 3.179 1.00 31.35 N ATOM 1913 CA ILE A 130 -2.000 7.490 3.454 1.00 41.31 C ATOM 1914 C ILE A 130 -1.966 8.920 2.960 1.00 44.22 C ATOM 1915 O ILE A 130 -1.968 9.203 1.742 1.00 12.03 O ATOM 1916 CB ILE A 130 -0.817 6.633 2.895 1.00 20.23 C ATOM 1917 CG1 ILE A 130 -1.021 6.263 1.413 1.00 2.13 C ATOM 1918 CG2 ILE A 130 -0.613 5.383 3.746 1.00 55.12 C ATOM 1919 CD1 ILE A 130 0.127 5.472 0.807 1.00 72.22 C ATOM 0 H ILE A 130 -3.413 6.646 2.212 1.00 31.35 H new ATOM 0 HA ILE A 130 -1.848 7.476 4.533 1.00 41.31 H new ATOM 0 HB ILE A 130 0.084 7.243 2.951 1.00 20.23 H new ATOM 0 HG12 ILE A 130 -1.938 5.682 1.318 1.00 2.13 H new ATOM 0 HG13 ILE A 130 -1.162 7.178 0.837 1.00 2.13 H new ATOM 0 HG21 ILE A 130 0.214 4.799 3.342 1.00 55.12 H new ATOM 0 HG22 ILE A 130 -0.385 5.674 4.771 1.00 55.12 H new ATOM 0 HG23 ILE A 130 -1.522 4.782 3.733 1.00 55.12 H new ATOM 0 HD11 ILE A 130 -0.094 5.252 -0.237 1.00 72.22 H new ATOM 0 HD12 ILE A 130 1.044 6.058 0.868 1.00 72.22 H new ATOM 0 HD13 ILE A 130 0.255 4.539 1.355 1.00 72.22 H new ATOM 1931 N GLY A 131 -2.070 9.822 3.896 1.00 74.55 N ATOM 1932 CA GLY A 131 -2.049 11.198 3.575 1.00 42.23 C ATOM 1933 C GLY A 131 -3.395 11.651 3.083 1.00 25.32 C ATOM 1934 O GLY A 131 -4.339 11.778 3.858 1.00 55.41 O ATOM 0 H GLY A 131 -2.170 9.614 4.890 1.00 74.55 H new ATOM 0 HA2 GLY A 131 -1.764 11.777 4.454 1.00 42.23 H new ATOM 0 HA3 GLY A 131 -1.295 11.386 2.811 1.00 42.23 H new ATOM 1938 N LYS A 132 -3.501 11.852 1.805 1.00 11.44 N ATOM 1939 CA LYS A 132 -4.727 12.355 1.225 1.00 53.51 C ATOM 1940 C LYS A 132 -5.297 11.367 0.213 1.00 51.51 C ATOM 1941 O LYS A 132 -6.351 11.603 -0.387 1.00 5.32 O ATOM 1942 CB LYS A 132 -4.467 13.718 0.574 1.00 21.34 C ATOM 1943 CG LYS A 132 -3.444 13.676 -0.555 1.00 44.00 C ATOM 1944 CD LYS A 132 -3.102 15.065 -1.078 1.00 52.41 C ATOM 1945 CE LYS A 132 -4.319 15.776 -1.639 1.00 30.41 C ATOM 1946 NZ LYS A 132 -3.982 17.111 -2.152 1.00 33.31 N ATOM 0 H LYS A 132 -2.754 11.677 1.133 1.00 11.44 H new ATOM 0 HA LYS A 132 -5.467 12.477 2.016 1.00 53.51 H new ATOM 0 HB2 LYS A 132 -5.407 14.110 0.185 1.00 21.34 H new ATOM 0 HB3 LYS A 132 -4.123 14.415 1.338 1.00 21.34 H new ATOM 0 HG2 LYS A 132 -2.535 13.190 -0.201 1.00 44.00 H new ATOM 0 HG3 LYS A 132 -3.833 13.068 -1.372 1.00 44.00 H new ATOM 0 HD2 LYS A 132 -2.674 15.661 -0.272 1.00 52.41 H new ATOM 0 HD3 LYS A 132 -2.340 14.983 -1.853 1.00 52.41 H new ATOM 0 HE2 LYS A 132 -4.753 15.177 -2.440 1.00 30.41 H new ATOM 0 HE3 LYS A 132 -5.078 15.866 -0.862 1.00 30.41 H new ATOM 0 HZ1 LYS A 132 -4.839 17.565 -2.527 1.00 33.31 H new ATOM 0 HZ2 LYS A 132 -3.592 17.691 -1.382 1.00 33.31 H new ATOM 0 HZ3 LYS A 132 -3.276 17.023 -2.911 1.00 33.31 H new ATOM 1960 N PHE A 133 -4.629 10.252 0.052 1.00 74.04 N ATOM 1961 CA PHE A 133 -5.052 9.261 -0.908 1.00 32.52 C ATOM 1962 C PHE A 133 -5.165 7.903 -0.264 1.00 64.53 C ATOM 1963 O PHE A 133 -4.574 7.663 0.782 1.00 62.55 O ATOM 1964 CB PHE A 133 -4.175 9.275 -2.171 1.00 21.54 C ATOM 1965 CG PHE A 133 -2.697 9.309 -1.930 1.00 63.14 C ATOM 1966 CD1 PHE A 133 -1.972 8.146 -1.794 1.00 35.42 C ATOM 1967 CD2 PHE A 133 -2.032 10.523 -1.852 1.00 52.15 C ATOM 1968 CE1 PHE A 133 -0.614 8.192 -1.582 1.00 53.41 C ATOM 1969 CE2 PHE A 133 -0.680 10.572 -1.642 1.00 31.12 C ATOM 1970 CZ PHE A 133 0.030 9.407 -1.504 1.00 61.32 C ATOM 0 H PHE A 133 -3.788 10.007 0.574 1.00 74.04 H new ATOM 0 HA PHE A 133 -6.053 9.521 -1.252 1.00 32.52 H new ATOM 0 HB2 PHE A 133 -4.408 8.391 -2.764 1.00 21.54 H new ATOM 0 HB3 PHE A 133 -4.448 10.143 -2.772 1.00 21.54 H new ATOM 0 HD1 PHE A 133 -2.473 7.191 -1.854 1.00 35.42 H new ATOM 0 HD2 PHE A 133 -2.588 11.443 -1.958 1.00 52.15 H new ATOM 0 HE1 PHE A 133 -0.053 7.275 -1.477 1.00 53.41 H new ATOM 0 HE2 PHE A 133 -0.175 11.525 -1.585 1.00 31.12 H new ATOM 0 HZ PHE A 133 1.096 9.442 -1.334 1.00 61.32 H new ATOM 1980 N ARG A 134 -5.903 7.013 -0.880 1.00 52.41 N ATOM 1981 CA ARG A 134 -6.244 5.778 -0.225 1.00 71.11 C ATOM 1982 C ARG A 134 -5.973 4.538 -1.034 1.00 65.22 C ATOM 1983 O ARG A 134 -6.210 4.475 -2.262 1.00 65.31 O ATOM 1984 CB ARG A 134 -7.679 5.817 0.279 1.00 63.02 C ATOM 1985 CG ARG A 134 -8.699 6.242 -0.768 1.00 44.31 C ATOM 1986 CD ARG A 134 -10.072 6.333 -0.153 1.00 34.33 C ATOM 1987 NE ARG A 134 -10.075 7.211 1.027 1.00 31.30 N ATOM 1988 CZ ARG A 134 -10.752 6.961 2.152 1.00 51.32 C ATOM 1989 NH1 ARG A 134 -11.514 5.886 2.233 1.00 33.22 N ATOM 1990 NH2 ARG A 134 -10.645 7.773 3.192 1.00 41.40 N ATOM 0 H ARG A 134 -6.275 7.120 -1.824 1.00 52.41 H new ATOM 0 HA ARG A 134 -5.567 5.701 0.626 1.00 71.11 H new ATOM 0 HB2 ARG A 134 -7.948 4.828 0.651 1.00 63.02 H new ATOM 0 HB3 ARG A 134 -7.736 6.502 1.125 1.00 63.02 H new ATOM 0 HG2 ARG A 134 -8.417 7.207 -1.190 1.00 44.31 H new ATOM 0 HG3 ARG A 134 -8.708 5.525 -1.589 1.00 44.31 H new ATOM 0 HD2 ARG A 134 -10.779 6.711 -0.892 1.00 34.33 H new ATOM 0 HD3 ARG A 134 -10.411 5.337 0.132 1.00 34.33 H new ATOM 0 HE ARG A 134 -9.524 8.068 0.984 1.00 31.30 H new ATOM 0 HH11 ARG A 134 -11.584 5.250 1.439 1.00 33.22 H new ATOM 0 HH12 ARG A 134 -12.032 5.692 3.090 1.00 33.22 H new ATOM 0 HH21 ARG A 134 -10.043 8.595 3.138 1.00 41.40 H new ATOM 0 HH22 ARG A 134 -11.164 7.577 4.048 1.00 41.40 H new ATOM 2004 N LEU A 135 -5.472 3.564 -0.334 1.00 62.43 N ATOM 2005 CA LEU A 135 -5.142 2.278 -0.849 1.00 42.45 C ATOM 2006 C LEU A 135 -5.919 1.237 -0.079 1.00 33.44 C ATOM 2007 O LEU A 135 -6.172 1.394 1.112 1.00 34.42 O ATOM 2008 CB LEU A 135 -3.620 1.985 -0.756 1.00 62.20 C ATOM 2009 CG LEU A 135 -2.691 2.722 -1.750 1.00 73.50 C ATOM 2010 CD1 LEU A 135 -2.635 4.226 -1.517 1.00 52.32 C ATOM 2011 CD2 LEU A 135 -1.300 2.134 -1.727 1.00 72.42 C ATOM 0 H LEU A 135 -5.274 3.655 0.663 1.00 62.43 H new ATOM 0 HA LEU A 135 -5.407 2.250 -1.906 1.00 42.45 H new ATOM 0 HB2 LEU A 135 -3.292 2.227 0.255 1.00 62.20 H new ATOM 0 HB3 LEU A 135 -3.474 0.913 -0.890 1.00 62.20 H new ATOM 0 HG LEU A 135 -3.127 2.573 -2.738 1.00 73.50 H new ATOM 0 HD11 LEU A 135 -1.967 4.683 -2.247 1.00 52.32 H new ATOM 0 HD12 LEU A 135 -3.634 4.648 -1.626 1.00 52.32 H new ATOM 0 HD13 LEU A 135 -2.264 4.425 -0.511 1.00 52.32 H new ATOM 0 HD21 LEU A 135 -0.667 2.670 -2.434 1.00 72.42 H new ATOM 0 HD22 LEU A 135 -0.883 2.226 -0.724 1.00 72.42 H new ATOM 0 HD23 LEU A 135 -1.345 1.081 -2.006 1.00 72.42 H new ATOM 2023 N VAL A 136 -6.327 0.217 -0.749 1.00 3.44 N ATOM 2024 CA VAL A 136 -7.070 -0.852 -0.122 1.00 54.44 C ATOM 2025 C VAL A 136 -6.140 -2.038 -0.030 1.00 22.43 C ATOM 2026 O VAL A 136 -5.568 -2.463 -1.040 1.00 25.31 O ATOM 2027 CB VAL A 136 -8.353 -1.227 -0.927 1.00 3.34 C ATOM 2028 CG1 VAL A 136 -9.132 -2.346 -0.238 1.00 73.41 C ATOM 2029 CG2 VAL A 136 -9.245 -0.006 -1.121 1.00 2.43 C ATOM 0 H VAL A 136 -6.162 0.087 -1.747 1.00 3.44 H new ATOM 0 HA VAL A 136 -7.411 -0.535 0.863 1.00 54.44 H new ATOM 0 HB VAL A 136 -8.035 -1.587 -1.906 1.00 3.34 H new ATOM 0 HG11 VAL A 136 -10.020 -2.585 -0.823 1.00 73.41 H new ATOM 0 HG12 VAL A 136 -8.502 -3.232 -0.157 1.00 73.41 H new ATOM 0 HG13 VAL A 136 -9.431 -2.021 0.759 1.00 73.41 H new ATOM 0 HG21 VAL A 136 -10.134 -0.290 -1.685 1.00 2.43 H new ATOM 0 HG22 VAL A 136 -9.542 0.386 -0.148 1.00 2.43 H new ATOM 0 HG23 VAL A 136 -8.698 0.761 -1.669 1.00 2.43 H new ATOM 2039 N PHE A 137 -5.959 -2.542 1.156 1.00 3.21 N ATOM 2040 CA PHE A 137 -4.985 -3.576 1.384 1.00 53.04 C ATOM 2041 C PHE A 137 -5.674 -4.933 1.448 1.00 52.30 C ATOM 2042 O PHE A 137 -6.680 -5.095 2.151 1.00 52.23 O ATOM 2043 CB PHE A 137 -4.230 -3.290 2.686 1.00 50.22 C ATOM 2044 CG PHE A 137 -2.879 -3.944 2.765 1.00 63.30 C ATOM 2045 CD1 PHE A 137 -2.750 -5.292 3.017 1.00 33.32 C ATOM 2046 CD2 PHE A 137 -1.731 -3.194 2.570 1.00 75.44 C ATOM 2047 CE1 PHE A 137 -1.510 -5.882 3.073 1.00 11.12 C ATOM 2048 CE2 PHE A 137 -0.485 -3.780 2.626 1.00 73.14 C ATOM 2049 CZ PHE A 137 -0.375 -5.127 2.880 1.00 61.12 C ATOM 0 H PHE A 137 -6.475 -2.253 1.987 1.00 3.21 H new ATOM 0 HA PHE A 137 -4.271 -3.592 0.561 1.00 53.04 H new ATOM 0 HB2 PHE A 137 -4.108 -2.212 2.794 1.00 50.22 H new ATOM 0 HB3 PHE A 137 -4.836 -3.628 3.527 1.00 50.22 H new ATOM 0 HD1 PHE A 137 -3.634 -5.893 3.172 1.00 33.32 H new ATOM 0 HD2 PHE A 137 -1.813 -2.136 2.371 1.00 75.44 H new ATOM 0 HE1 PHE A 137 -1.426 -6.941 3.269 1.00 11.12 H new ATOM 0 HE2 PHE A 137 0.402 -3.184 2.471 1.00 73.14 H new ATOM 0 HZ PHE A 137 0.599 -5.591 2.928 1.00 61.12 H new ATOM 2059 N LEU A 138 -5.164 -5.887 0.707 1.00 70.42 N ATOM 2060 CA LEU A 138 -5.724 -7.215 0.675 1.00 64.25 C ATOM 2061 C LEU A 138 -4.643 -8.235 0.976 1.00 4.32 C ATOM 2062 O LEU A 138 -3.453 -8.002 0.718 1.00 2.44 O ATOM 2063 CB LEU A 138 -6.340 -7.570 -0.713 1.00 41.31 C ATOM 2064 CG LEU A 138 -7.534 -6.748 -1.255 1.00 12.50 C ATOM 2065 CD1 LEU A 138 -8.664 -6.637 -0.250 1.00 25.34 C ATOM 2066 CD2 LEU A 138 -7.114 -5.386 -1.794 1.00 50.43 C ATOM 0 H LEU A 138 -4.347 -5.763 0.108 1.00 70.42 H new ATOM 0 HA LEU A 138 -6.515 -7.238 1.425 1.00 64.25 H new ATOM 0 HB2 LEU A 138 -5.540 -7.507 -1.450 1.00 41.31 H new ATOM 0 HB3 LEU A 138 -6.654 -8.613 -0.673 1.00 41.31 H new ATOM 0 HG LEU A 138 -7.923 -7.310 -2.104 1.00 12.50 H new ATOM 0 HD11 LEU A 138 -9.477 -6.051 -0.679 1.00 25.34 H new ATOM 0 HD12 LEU A 138 -9.028 -7.634 -0.000 1.00 25.34 H new ATOM 0 HD13 LEU A 138 -8.301 -6.147 0.653 1.00 25.34 H new ATOM 0 HD21 LEU A 138 -7.992 -4.853 -2.161 1.00 50.43 H new ATOM 0 HD22 LEU A 138 -6.645 -4.808 -0.997 1.00 50.43 H new ATOM 0 HD23 LEU A 138 -6.404 -5.521 -2.610 1.00 50.43 H new ATOM 2078 N ALA A 139 -5.043 -9.346 1.534 1.00 23.34 N ATOM 2079 CA ALA A 139 -4.142 -10.453 1.729 1.00 71.24 C ATOM 2080 C ALA A 139 -3.828 -11.020 0.357 1.00 1.43 C ATOM 2081 O ALA A 139 -4.732 -11.164 -0.474 1.00 65.45 O ATOM 2082 CB ALA A 139 -4.775 -11.511 2.621 1.00 71.13 C ATOM 0 H ALA A 139 -5.994 -9.510 1.864 1.00 23.34 H new ATOM 0 HA ALA A 139 -3.229 -10.124 2.225 1.00 71.24 H new ATOM 0 HB1 ALA A 139 -4.078 -12.338 2.755 1.00 71.13 H new ATOM 0 HB2 ALA A 139 -5.012 -11.075 3.591 1.00 71.13 H new ATOM 0 HB3 ALA A 139 -5.690 -11.879 2.156 1.00 71.13 H new ATOM 2088 N GLY A 140 -2.581 -11.317 0.106 1.00 54.33 N ATOM 2089 CA GLY A 140 -2.194 -11.755 -1.209 1.00 2.20 C ATOM 2090 C GLY A 140 -2.436 -13.217 -1.423 1.00 32.14 C ATOM 2091 O GLY A 140 -3.004 -13.889 -0.548 1.00 20.41 O ATOM 0 H GLY A 140 -1.823 -11.265 0.786 1.00 54.33 H new ATOM 0 HA2 GLY A 140 -2.748 -11.186 -1.955 1.00 2.20 H new ATOM 0 HA3 GLY A 140 -1.137 -11.539 -1.363 1.00 2.20 H new ATOM 2095 N PRO A 141 -2.065 -13.749 -2.584 1.00 53.45 N ATOM 2096 CA PRO A 141 -2.176 -15.158 -2.852 1.00 20.35 C ATOM 2097 C PRO A 141 -1.111 -15.905 -2.093 1.00 13.13 C ATOM 2098 O PRO A 141 0.081 -15.613 -2.215 1.00 23.31 O ATOM 2099 CB PRO A 141 -1.942 -15.293 -4.355 1.00 55.34 C ATOM 2100 CG PRO A 141 -1.904 -13.896 -4.888 1.00 12.23 C ATOM 2101 CD PRO A 141 -1.513 -13.023 -3.736 1.00 53.23 C ATOM 0 HA PRO A 141 -3.141 -15.565 -2.549 1.00 20.35 H new ATOM 0 HB2 PRO A 141 -1.008 -15.815 -4.560 1.00 55.34 H new ATOM 0 HB3 PRO A 141 -2.739 -15.869 -4.825 1.00 55.34 H new ATOM 0 HG2 PRO A 141 -1.186 -13.809 -5.704 1.00 12.23 H new ATOM 0 HG3 PRO A 141 -2.876 -13.604 -5.286 1.00 12.23 H new ATOM 0 HD2 PRO A 141 -0.432 -12.908 -3.663 1.00 53.23 H new ATOM 0 HD3 PRO A 141 -1.935 -12.022 -3.824 1.00 53.23 H new