USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=16 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 89 HIS : no HD1:sc= -0.988 K(o=-4.7,f=-6.3!) USER MOD Set 1.2: A 108 ASN : amide:sc= -4.57! C(o=-4.7!,f=-9.1!) USER MOD Set 1.3: A 110 THR OG1 : rot 80:sc= 0.826 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 7 THR OG1 : rot 47:sc= 0.0654 USER MOD Single : A 11 GLN : amide:sc= 0.701 K(o=0.7,f=-5.8!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0274 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 -98:sc= 0.196 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.911 K(o=-0.91,f=-8.6!) USER MOD Single : A 65 GLN : amide:sc= -0.395 K(o=-0.4,f=-5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 69 THR OG1 : rot 81:sc= 1.03 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 76 SER OG : rot -3:sc= 0.472 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0518 K(o=-0.052,f=-1.5!) USER MOD Single : A 106 SER OG : rot -18:sc= 1.22 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.00386 X(o=0.0039,f=-0.18) USER MOD Single : A 118 ASN : amide:sc= -0.649 K(o=-0.65,f=0) USER MOD Single : A 120 GLN : amide:sc= -0.124 K(o=-0.12,f=-6!) USER MOD Single : A 122 MET CE :methyl 139:sc= -0.74 (180deg=-4.03!) USER MOD Single : A 123 GLN : amide:sc= 1.23 K(o=1.2,f=-0.051) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 129 GLN : amide:sc= 0.919 K(o=0.92,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 -15.368 58.270 60.902 1.00 51.32 N ATOM 58 CA ASN A 5 -14.480 58.206 59.768 1.00 54.50 C ATOM 59 C ASN A 5 -14.605 56.869 59.080 1.00 42.43 C ATOM 60 O ASN A 5 -14.938 55.841 59.710 1.00 73.43 O ATOM 61 CB ASN A 5 -13.001 58.474 60.136 1.00 73.53 C ATOM 62 CG ASN A 5 -12.405 57.448 61.090 1.00 74.24 C ATOM 63 OD1 ASN A 5 -11.896 56.411 60.675 1.00 41.52 O ATOM 64 ND2 ASN A 5 -12.422 57.745 62.361 1.00 54.40 N ATOM 0 HA ASN A 5 -14.786 59.003 59.090 1.00 54.50 H new ATOM 0 HB2 ASN A 5 -12.407 58.493 59.222 1.00 73.53 H new ATOM 0 HB3 ASN A 5 -12.923 59.463 60.587 1.00 73.53 H new ATOM 0 HD21 ASN A 5 -12.005 57.108 63.039 1.00 54.40 H new ATOM 0 HD22 ASN A 5 -12.852 58.614 62.676 1.00 54.40 H new ATOM 71 N GLY A 6 -14.387 56.886 57.807 1.00 74.14 N ATOM 72 CA GLY A 6 -14.392 55.697 57.029 1.00 20.53 C ATOM 73 C GLY A 6 -13.064 55.553 56.366 1.00 43.31 C ATOM 74 O GLY A 6 -12.793 56.211 55.354 1.00 61.20 O ATOM 0 H GLY A 6 -14.199 57.735 57.274 1.00 74.14 H new ATOM 0 HA2 GLY A 6 -14.594 54.833 57.661 1.00 20.53 H new ATOM 0 HA3 GLY A 6 -15.185 55.738 56.282 1.00 20.53 H new ATOM 78 N THR A 7 -12.206 54.801 56.971 1.00 4.43 N ATOM 79 CA THR A 7 -10.896 54.577 56.450 1.00 54.41 C ATOM 80 C THR A 7 -10.831 53.235 55.717 1.00 23.42 C ATOM 81 O THR A 7 -11.220 52.197 56.281 1.00 1.10 O ATOM 82 CB THR A 7 -9.874 54.602 57.603 1.00 72.53 C ATOM 83 OG1 THR A 7 -10.408 53.862 58.717 1.00 50.33 O ATOM 84 CG2 THR A 7 -9.580 56.029 58.037 1.00 24.11 C ATOM 0 H THR A 7 -12.395 54.319 57.850 1.00 4.43 H new ATOM 0 HA THR A 7 -10.658 55.367 55.738 1.00 54.41 H new ATOM 0 HB THR A 7 -8.944 54.150 57.259 1.00 72.53 H new ATOM 0 HG1 THR A 7 -10.768 53.008 58.400 1.00 50.33 H new ATOM 0 HG21 THR A 7 -8.856 56.020 58.852 1.00 24.11 H new ATOM 0 HG22 THR A 7 -9.172 56.589 57.195 1.00 24.11 H new ATOM 0 HG23 THR A 7 -10.501 56.503 58.375 1.00 24.11 H new ATOM 92 N PRO A 8 -10.412 53.231 54.442 1.00 4.15 N ATOM 93 CA PRO A 8 -10.213 51.997 53.686 1.00 61.22 C ATOM 94 C PRO A 8 -9.061 51.202 54.281 1.00 42.01 C ATOM 95 O PRO A 8 -8.006 51.768 54.612 1.00 64.42 O ATOM 96 CB PRO A 8 -9.840 52.479 52.278 1.00 50.21 C ATOM 97 CG PRO A 8 -10.266 53.900 52.232 1.00 24.24 C ATOM 98 CD PRO A 8 -10.119 54.419 53.625 1.00 10.55 C ATOM 0 HA PRO A 8 -11.091 51.351 53.695 1.00 61.22 H new ATOM 0 HB2 PRO A 8 -8.769 52.382 52.099 1.00 50.21 H new ATOM 0 HB3 PRO A 8 -10.346 51.890 51.513 1.00 50.21 H new ATOM 0 HG2 PRO A 8 -9.650 54.470 51.536 1.00 24.24 H new ATOM 0 HG3 PRO A 8 -11.297 53.987 51.890 1.00 24.24 H new ATOM 0 HD2 PRO A 8 -9.116 54.802 53.811 1.00 10.55 H new ATOM 0 HD3 PRO A 8 -10.814 55.233 53.830 1.00 10.55 H new ATOM 106 N GLU A 9 -9.251 49.932 54.439 1.00 12.25 N ATOM 107 CA GLU A 9 -8.234 49.103 55.009 1.00 25.40 C ATOM 108 C GLU A 9 -7.366 48.513 53.901 1.00 42.03 C ATOM 109 O GLU A 9 -7.891 48.025 52.895 1.00 50.51 O ATOM 110 CB GLU A 9 -8.857 48.030 55.894 1.00 13.51 C ATOM 111 CG GLU A 9 -9.621 48.608 57.078 1.00 72.51 C ATOM 112 CD GLU A 9 -10.254 47.551 57.934 1.00 12.00 C ATOM 113 OE1 GLU A 9 -9.577 47.005 58.825 1.00 71.33 O ATOM 114 OE2 GLU A 9 -11.446 47.239 57.729 1.00 72.34 O ATOM 0 H GLU A 9 -10.107 49.441 54.180 1.00 12.25 H new ATOM 0 HA GLU A 9 -7.587 49.704 55.648 1.00 25.40 H new ATOM 0 HB2 GLU A 9 -9.533 47.420 55.295 1.00 13.51 H new ATOM 0 HB3 GLU A 9 -8.072 47.369 56.262 1.00 13.51 H new ATOM 0 HG2 GLU A 9 -8.941 49.203 57.687 1.00 72.51 H new ATOM 0 HG3 GLU A 9 -10.394 49.283 56.711 1.00 72.51 H new ATOM 121 N PRO A 10 -6.027 48.638 54.030 1.00 42.14 N ATOM 122 CA PRO A 10 -5.058 48.133 53.037 1.00 34.51 C ATOM 123 C PRO A 10 -5.221 46.649 52.708 1.00 21.15 C ATOM 124 O PRO A 10 -5.595 45.820 53.567 1.00 24.24 O ATOM 125 CB PRO A 10 -3.709 48.363 53.705 1.00 41.31 C ATOM 126 CG PRO A 10 -3.945 49.491 54.629 1.00 42.10 C ATOM 127 CD PRO A 10 -5.345 49.330 55.136 1.00 34.14 C ATOM 0 HA PRO A 10 -5.189 48.642 52.082 1.00 34.51 H new ATOM 0 HB2 PRO A 10 -3.374 47.474 54.240 1.00 41.31 H new ATOM 0 HB3 PRO A 10 -2.939 48.604 52.972 1.00 41.31 H new ATOM 0 HG2 PRO A 10 -3.229 49.477 55.451 1.00 42.10 H new ATOM 0 HG3 PRO A 10 -3.824 50.446 54.117 1.00 42.10 H new ATOM 0 HD2 PRO A 10 -5.375 48.746 56.056 1.00 34.14 H new ATOM 0 HD3 PRO A 10 -5.807 50.293 55.354 1.00 34.14 H new ATOM 135 N GLN A 11 -4.910 46.319 51.490 1.00 63.41 N ATOM 136 CA GLN A 11 -5.028 44.985 50.988 1.00 13.54 C ATOM 137 C GLN A 11 -3.703 44.585 50.351 1.00 34.33 C ATOM 138 O GLN A 11 -2.932 45.444 49.911 1.00 33.13 O ATOM 139 CB GLN A 11 -6.188 44.913 49.964 1.00 42.33 C ATOM 140 CG GLN A 11 -6.432 43.533 49.356 1.00 3.55 C ATOM 141 CD GLN A 11 -6.674 42.465 50.408 1.00 74.32 C ATOM 142 OE1 GLN A 11 -5.735 41.822 50.885 1.00 62.42 O ATOM 143 NE2 GLN A 11 -7.898 42.271 50.769 1.00 12.11 N ATOM 0 H GLN A 11 -4.559 46.986 50.803 1.00 63.41 H new ATOM 0 HA GLN A 11 -5.254 44.291 51.798 1.00 13.54 H new ATOM 0 HB2 GLN A 11 -7.104 45.245 50.453 1.00 42.33 H new ATOM 0 HB3 GLN A 11 -5.984 45.617 49.157 1.00 42.33 H new ATOM 0 HG2 GLN A 11 -7.292 43.581 48.688 1.00 3.55 H new ATOM 0 HG3 GLN A 11 -5.572 43.251 48.748 1.00 3.55 H new ATOM 0 HE21 GLN A 11 -8.647 42.823 50.351 1.00 12.11 H new ATOM 0 HE22 GLN A 11 -8.117 41.565 51.472 1.00 12.11 H new ATOM 152 N VAL A 12 -3.431 43.315 50.332 1.00 13.25 N ATOM 153 CA VAL A 12 -2.241 42.807 49.740 1.00 55.22 C ATOM 154 C VAL A 12 -2.609 41.736 48.724 1.00 74.00 C ATOM 155 O VAL A 12 -3.522 40.914 48.960 1.00 73.51 O ATOM 156 CB VAL A 12 -1.250 42.247 50.816 1.00 33.22 C ATOM 157 CG1 VAL A 12 -1.852 41.088 51.603 1.00 11.43 C ATOM 158 CG2 VAL A 12 0.080 41.847 50.190 1.00 24.01 C ATOM 0 H VAL A 12 -4.038 42.599 50.732 1.00 13.25 H new ATOM 0 HA VAL A 12 -1.725 43.624 49.236 1.00 55.22 H new ATOM 0 HB VAL A 12 -1.062 43.055 51.523 1.00 33.22 H new ATOM 0 HG11 VAL A 12 -1.129 40.732 52.337 1.00 11.43 H new ATOM 0 HG12 VAL A 12 -2.753 41.425 52.115 1.00 11.43 H new ATOM 0 HG13 VAL A 12 -2.105 40.277 50.920 1.00 11.43 H new ATOM 0 HG21 VAL A 12 0.745 41.463 50.963 1.00 24.01 H new ATOM 0 HG22 VAL A 12 -0.089 41.075 49.440 1.00 24.01 H new ATOM 0 HG23 VAL A 12 0.537 42.717 49.719 1.00 24.01 H new ATOM 168 N GLU A 13 -1.979 41.779 47.593 1.00 44.55 N ATOM 169 CA GLU A 13 -2.178 40.789 46.587 1.00 62.03 C ATOM 170 C GLU A 13 -1.140 39.706 46.790 1.00 64.20 C ATOM 171 O GLU A 13 0.045 40.003 47.030 1.00 64.25 O ATOM 172 CB GLU A 13 -2.068 41.402 45.184 1.00 75.42 C ATOM 173 CG GLU A 13 -2.399 40.431 44.063 1.00 41.45 C ATOM 174 CD GLU A 13 -3.769 39.829 44.239 1.00 20.12 C ATOM 175 OE1 GLU A 13 -4.768 40.487 43.900 1.00 12.22 O ATOM 176 OE2 GLU A 13 -3.871 38.711 44.766 1.00 0.32 O ATOM 0 H GLU A 13 -1.309 42.506 47.342 1.00 44.55 H new ATOM 0 HA GLU A 13 -3.179 40.366 46.670 1.00 62.03 H new ATOM 0 HB2 GLU A 13 -2.738 42.260 45.119 1.00 75.42 H new ATOM 0 HB3 GLU A 13 -1.055 41.777 45.040 1.00 75.42 H new ATOM 0 HG2 GLU A 13 -2.349 40.949 43.105 1.00 41.45 H new ATOM 0 HG3 GLU A 13 -1.653 39.637 44.036 1.00 41.45 H new ATOM 183 N THR A 14 -1.559 38.477 46.698 1.00 71.10 N ATOM 184 CA THR A 14 -0.683 37.373 46.919 1.00 53.41 C ATOM 185 C THR A 14 0.189 37.113 45.691 1.00 5.44 C ATOM 186 O THR A 14 -0.174 36.374 44.769 1.00 1.23 O ATOM 187 CB THR A 14 -1.460 36.120 47.375 1.00 54.43 C ATOM 188 OG1 THR A 14 -2.633 35.957 46.559 1.00 55.15 O ATOM 189 CG2 THR A 14 -1.877 36.248 48.834 1.00 52.51 C ATOM 0 H THR A 14 -2.518 38.216 46.468 1.00 71.10 H new ATOM 0 HA THR A 14 -0.009 37.630 47.736 1.00 53.41 H new ATOM 0 HB THR A 14 -0.810 35.252 47.269 1.00 54.43 H new ATOM 0 HG1 THR A 14 -3.125 35.160 46.848 1.00 55.15 H new ATOM 0 HG21 THR A 14 -2.423 35.355 49.136 1.00 52.51 H new ATOM 0 HG22 THR A 14 -0.990 36.359 49.458 1.00 52.51 H new ATOM 0 HG23 THR A 14 -2.517 37.122 48.954 1.00 52.51 H new ATOM 197 N THR A 15 1.308 37.780 45.663 1.00 42.31 N ATOM 198 CA THR A 15 2.209 37.705 44.572 1.00 73.24 C ATOM 199 C THR A 15 3.299 36.696 44.918 1.00 71.42 C ATOM 200 O THR A 15 4.176 36.960 45.743 1.00 34.01 O ATOM 201 CB THR A 15 2.807 39.098 44.322 1.00 45.13 C ATOM 202 OG1 THR A 15 1.727 40.064 44.335 1.00 2.13 O ATOM 203 CG2 THR A 15 3.502 39.154 42.970 1.00 51.42 C ATOM 0 H THR A 15 1.615 38.398 46.414 1.00 42.31 H new ATOM 0 HA THR A 15 1.700 37.381 43.664 1.00 73.24 H new ATOM 0 HB THR A 15 3.540 39.318 45.098 1.00 45.13 H new ATOM 0 HG1 THR A 15 2.089 40.961 44.179 1.00 2.13 H new ATOM 0 HG21 THR A 15 3.917 40.150 42.815 1.00 51.42 H new ATOM 0 HG22 THR A 15 4.305 38.418 42.943 1.00 51.42 H new ATOM 0 HG23 THR A 15 2.782 38.935 42.181 1.00 51.42 H new ATOM 211 N SER A 16 3.202 35.537 44.339 1.00 11.21 N ATOM 212 CA SER A 16 4.093 34.474 44.627 1.00 63.43 C ATOM 213 C SER A 16 4.971 34.195 43.417 1.00 34.21 C ATOM 214 O SER A 16 4.600 34.507 42.279 1.00 60.11 O ATOM 215 CB SER A 16 3.276 33.246 45.007 1.00 62.04 C ATOM 216 OG SER A 16 2.340 33.577 46.035 1.00 11.44 O ATOM 0 H SER A 16 2.490 35.309 43.646 1.00 11.21 H new ATOM 0 HA SER A 16 4.746 34.740 45.459 1.00 63.43 H new ATOM 0 HB2 SER A 16 2.748 32.866 44.132 1.00 62.04 H new ATOM 0 HB3 SER A 16 3.938 32.451 45.350 1.00 62.04 H new ATOM 0 HG SER A 16 1.819 32.782 46.271 1.00 11.44 H new ATOM 222 N VAL A 17 6.113 33.650 43.671 1.00 23.53 N ATOM 223 CA VAL A 17 7.065 33.305 42.639 1.00 42.11 C ATOM 224 C VAL A 17 6.754 31.913 42.115 1.00 71.24 C ATOM 225 O VAL A 17 6.679 30.954 42.881 1.00 65.14 O ATOM 226 CB VAL A 17 8.522 33.345 43.181 1.00 24.24 C ATOM 227 CG1 VAL A 17 9.524 32.973 42.094 1.00 72.24 C ATOM 228 CG2 VAL A 17 8.847 34.719 43.756 1.00 25.21 C ATOM 0 H VAL A 17 6.428 33.423 44.614 1.00 23.53 H new ATOM 0 HA VAL A 17 6.982 34.036 41.834 1.00 42.11 H new ATOM 0 HB VAL A 17 8.600 32.608 43.980 1.00 24.24 H new ATOM 0 HG11 VAL A 17 10.534 33.010 42.502 1.00 72.24 H new ATOM 0 HG12 VAL A 17 9.314 31.965 41.735 1.00 72.24 H new ATOM 0 HG13 VAL A 17 9.441 33.678 41.266 1.00 72.24 H new ATOM 0 HG21 VAL A 17 9.871 34.724 44.129 1.00 25.21 H new ATOM 0 HG22 VAL A 17 8.741 35.474 42.977 1.00 25.21 H new ATOM 0 HG23 VAL A 17 8.162 34.943 44.574 1.00 25.21 H new ATOM 616 N GLY A 45 5.588 -15.209 1.537 1.00 42.42 N ATOM 617 CA GLY A 45 4.168 -15.080 1.408 1.00 42.13 C ATOM 618 C GLY A 45 3.815 -13.625 1.317 1.00 54.42 C ATOM 619 O GLY A 45 3.559 -12.965 2.328 1.00 42.03 O ATOM 0 HA2 GLY A 45 3.821 -15.608 0.519 1.00 42.13 H new ATOM 0 HA3 GLY A 45 3.670 -15.535 2.264 1.00 42.13 H new ATOM 623 N SER A 46 3.786 -13.128 0.121 1.00 23.10 N ATOM 624 CA SER A 46 3.597 -11.721 -0.118 1.00 75.11 C ATOM 625 C SER A 46 2.121 -11.338 -0.247 1.00 1.32 C ATOM 626 O SER A 46 1.241 -12.192 -0.424 1.00 74.31 O ATOM 627 CB SER A 46 4.326 -11.356 -1.396 1.00 74.51 C ATOM 628 OG SER A 46 5.703 -11.692 -1.304 1.00 75.10 O ATOM 0 H SER A 46 3.893 -13.685 -0.727 1.00 23.10 H new ATOM 0 HA SER A 46 3.993 -11.174 0.738 1.00 75.11 H new ATOM 0 HB2 SER A 46 3.875 -11.879 -2.239 1.00 74.51 H new ATOM 0 HB3 SER A 46 4.219 -10.288 -1.589 1.00 74.51 H new ATOM 0 HG SER A 46 6.220 -10.893 -1.068 1.00 75.10 H new ATOM 634 N ALA A 47 1.869 -10.051 -0.151 1.00 34.41 N ATOM 635 CA ALA A 47 0.548 -9.486 -0.245 1.00 42.51 C ATOM 636 C ALA A 47 0.607 -8.320 -1.209 1.00 61.30 C ATOM 637 O ALA A 47 1.707 -7.854 -1.530 1.00 40.10 O ATOM 638 CB ALA A 47 0.093 -9.031 1.125 1.00 51.24 C ATOM 0 H ALA A 47 2.598 -9.354 -0.002 1.00 34.41 H new ATOM 0 HA ALA A 47 -0.166 -10.225 -0.608 1.00 42.51 H new ATOM 0 HB1 ALA A 47 -0.907 -8.603 1.053 1.00 51.24 H new ATOM 0 HB2 ALA A 47 0.075 -9.883 1.804 1.00 51.24 H new ATOM 0 HB3 ALA A 47 0.783 -8.278 1.506 1.00 51.24 H new ATOM 644 N LEU A 48 -0.526 -7.843 -1.668 1.00 64.51 N ATOM 645 CA LEU A 48 -0.535 -6.782 -2.654 1.00 13.44 C ATOM 646 C LEU A 48 -1.403 -5.628 -2.226 1.00 14.43 C ATOM 647 O LEU A 48 -2.318 -5.791 -1.432 1.00 40.54 O ATOM 648 CB LEU A 48 -0.881 -7.280 -4.118 1.00 72.10 C ATOM 649 CG LEU A 48 -2.288 -7.892 -4.465 1.00 1.34 C ATOM 650 CD1 LEU A 48 -2.647 -9.086 -3.617 1.00 21.05 C ATOM 651 CD2 LEU A 48 -3.407 -6.856 -4.469 1.00 53.33 C ATOM 0 H LEU A 48 -1.449 -8.168 -1.379 1.00 64.51 H new ATOM 0 HA LEU A 48 0.491 -6.417 -2.707 1.00 13.44 H new ATOM 0 HB2 LEU A 48 -0.731 -6.431 -4.785 1.00 72.10 H new ATOM 0 HB3 LEU A 48 -0.135 -8.029 -4.383 1.00 72.10 H new ATOM 0 HG LEU A 48 -2.186 -8.255 -5.488 1.00 1.34 H new ATOM 0 HD11 LEU A 48 -3.629 -9.458 -3.909 1.00 21.05 H new ATOM 0 HD12 LEU A 48 -1.904 -9.871 -3.761 1.00 21.05 H new ATOM 0 HD13 LEU A 48 -2.667 -8.794 -2.567 1.00 21.05 H new ATOM 0 HD21 LEU A 48 -4.351 -7.341 -4.715 1.00 53.33 H new ATOM 0 HD22 LEU A 48 -3.481 -6.397 -3.483 1.00 53.33 H new ATOM 0 HD23 LEU A 48 -3.189 -6.088 -5.211 1.00 53.33 H new ATOM 663 N LEU A 49 -1.103 -4.480 -2.734 1.00 0.31 N ATOM 664 CA LEU A 49 -1.867 -3.296 -2.454 1.00 61.31 C ATOM 665 C LEU A 49 -2.307 -2.641 -3.756 1.00 25.02 C ATOM 666 O LEU A 49 -1.583 -2.714 -4.756 1.00 3.23 O ATOM 667 CB LEU A 49 -1.064 -2.342 -1.520 1.00 22.51 C ATOM 668 CG LEU A 49 0.404 -1.966 -1.912 1.00 53.01 C ATOM 669 CD1 LEU A 49 0.491 -1.038 -3.121 1.00 53.54 C ATOM 670 CD2 LEU A 49 1.139 -1.359 -0.726 1.00 40.33 C ATOM 0 H LEU A 49 -0.314 -4.329 -3.362 1.00 0.31 H new ATOM 0 HA LEU A 49 -2.777 -3.558 -1.913 1.00 61.31 H new ATOM 0 HB2 LEU A 49 -1.630 -1.415 -1.430 1.00 22.51 H new ATOM 0 HB3 LEU A 49 -1.036 -2.796 -0.529 1.00 22.51 H new ATOM 0 HG LEU A 49 0.888 -2.899 -2.201 1.00 53.01 H new ATOM 0 HD11 LEU A 49 1.537 -0.819 -3.337 1.00 53.54 H new ATOM 0 HD12 LEU A 49 0.036 -1.522 -3.985 1.00 53.54 H new ATOM 0 HD13 LEU A 49 -0.038 -0.109 -2.906 1.00 53.54 H new ATOM 0 HD21 LEU A 49 2.157 -1.105 -1.020 1.00 40.33 H new ATOM 0 HD22 LEU A 49 0.620 -0.458 -0.399 1.00 40.33 H new ATOM 0 HD23 LEU A 49 1.167 -2.079 0.092 1.00 40.33 H new ATOM 682 N VAL A 50 -3.499 -2.067 -3.778 1.00 44.44 N ATOM 683 CA VAL A 50 -3.978 -1.399 -4.980 1.00 63.13 C ATOM 684 C VAL A 50 -4.438 0.012 -4.625 1.00 44.14 C ATOM 685 O VAL A 50 -5.046 0.237 -3.554 1.00 11.21 O ATOM 686 CB VAL A 50 -5.132 -2.180 -5.750 1.00 32.40 C ATOM 687 CG1 VAL A 50 -4.899 -3.675 -5.763 1.00 61.04 C ATOM 688 CG2 VAL A 50 -6.532 -1.864 -5.254 1.00 0.32 C ATOM 0 H VAL A 50 -4.146 -2.049 -2.990 1.00 44.44 H new ATOM 0 HA VAL A 50 -3.137 -1.369 -5.673 1.00 63.13 H new ATOM 0 HB VAL A 50 -5.077 -1.810 -6.774 1.00 32.40 H new ATOM 0 HG11 VAL A 50 -5.712 -4.165 -6.299 1.00 61.04 H new ATOM 0 HG12 VAL A 50 -3.954 -3.892 -6.260 1.00 61.04 H new ATOM 0 HG13 VAL A 50 -4.864 -4.047 -4.739 1.00 61.04 H new ATOM 0 HG21 VAL A 50 -7.260 -2.436 -5.830 1.00 0.32 H new ATOM 0 HG22 VAL A 50 -6.613 -2.130 -4.200 1.00 0.32 H new ATOM 0 HG23 VAL A 50 -6.729 -0.799 -5.376 1.00 0.32 H new ATOM 698 N VAL A 51 -4.120 0.954 -5.468 1.00 21.41 N ATOM 699 CA VAL A 51 -4.500 2.337 -5.245 1.00 50.54 C ATOM 700 C VAL A 51 -5.806 2.628 -5.946 1.00 70.11 C ATOM 701 O VAL A 51 -5.883 2.541 -7.164 1.00 12.42 O ATOM 702 CB VAL A 51 -3.386 3.338 -5.713 1.00 41.13 C ATOM 703 CG1 VAL A 51 -3.846 4.776 -5.537 1.00 70.15 C ATOM 704 CG2 VAL A 51 -2.133 3.127 -4.893 1.00 43.12 C ATOM 0 H VAL A 51 -3.593 0.795 -6.327 1.00 21.41 H new ATOM 0 HA VAL A 51 -4.626 2.480 -4.172 1.00 50.54 H new ATOM 0 HB VAL A 51 -3.183 3.152 -6.768 1.00 41.13 H new ATOM 0 HG11 VAL A 51 -3.058 5.453 -5.868 1.00 70.15 H new ATOM 0 HG12 VAL A 51 -4.744 4.946 -6.131 1.00 70.15 H new ATOM 0 HG13 VAL A 51 -4.066 4.961 -4.486 1.00 70.15 H new ATOM 0 HG21 VAL A 51 -1.362 3.824 -5.221 1.00 43.12 H new ATOM 0 HG22 VAL A 51 -2.354 3.300 -3.840 1.00 43.12 H new ATOM 0 HG23 VAL A 51 -1.779 2.105 -5.026 1.00 43.12 H new ATOM 714 N LYS A 52 -6.842 2.946 -5.168 1.00 33.34 N ATOM 715 CA LYS A 52 -8.145 3.278 -5.736 1.00 2.42 C ATOM 716 C LYS A 52 -8.086 4.600 -6.454 1.00 13.35 C ATOM 717 O LYS A 52 -8.710 4.777 -7.510 1.00 21.24 O ATOM 718 CB LYS A 52 -9.265 3.314 -4.684 1.00 3.40 C ATOM 719 CG LYS A 52 -9.772 1.956 -4.221 1.00 33.35 C ATOM 720 CD LYS A 52 -11.001 2.130 -3.331 1.00 63.21 C ATOM 721 CE LYS A 52 -11.698 0.804 -3.033 1.00 61.30 C ATOM 722 NZ LYS A 52 -10.852 -0.133 -2.268 1.00 61.32 N ATOM 0 H LYS A 52 -6.803 2.980 -4.149 1.00 33.34 H new ATOM 0 HA LYS A 52 -8.385 2.482 -6.441 1.00 2.42 H new ATOM 0 HB2 LYS A 52 -8.905 3.864 -3.814 1.00 3.40 H new ATOM 0 HB3 LYS A 52 -10.105 3.876 -5.092 1.00 3.40 H new ATOM 0 HG2 LYS A 52 -10.023 1.339 -5.084 1.00 33.35 H new ATOM 0 HG3 LYS A 52 -8.988 1.434 -3.673 1.00 33.35 H new ATOM 0 HD2 LYS A 52 -10.703 2.599 -2.393 1.00 63.21 H new ATOM 0 HD3 LYS A 52 -11.705 2.806 -3.817 1.00 63.21 H new ATOM 0 HE2 LYS A 52 -12.613 0.999 -2.473 1.00 61.30 H new ATOM 0 HE3 LYS A 52 -11.992 0.335 -3.972 1.00 61.30 H new ATOM 0 HZ1 LYS A 52 -11.377 -1.014 -2.096 1.00 61.32 H new ATOM 0 HZ2 LYS A 52 -9.990 -0.344 -2.810 1.00 61.32 H new ATOM 0 HZ3 LYS A 52 -10.592 0.298 -1.358 1.00 61.32 H new ATOM 736 N ARG A 53 -7.346 5.516 -5.882 1.00 71.52 N ATOM 737 CA ARG A 53 -7.149 6.824 -6.455 1.00 5.20 C ATOM 738 C ARG A 53 -6.049 7.539 -5.718 1.00 1.51 C ATOM 739 O ARG A 53 -5.983 7.490 -4.483 1.00 54.32 O ATOM 740 CB ARG A 53 -8.426 7.680 -6.446 1.00 3.20 C ATOM 741 CG ARG A 53 -8.215 9.021 -7.123 1.00 50.34 C ATOM 742 CD ARG A 53 -9.475 9.825 -7.245 1.00 71.40 C ATOM 743 NE ARG A 53 -9.237 11.043 -8.016 1.00 34.34 N ATOM 744 CZ ARG A 53 -10.127 11.631 -8.817 1.00 53.24 C ATOM 745 NH1 ARG A 53 -11.373 11.164 -8.890 1.00 43.12 N ATOM 746 NH2 ARG A 53 -9.773 12.688 -9.534 1.00 64.04 N ATOM 0 H ARG A 53 -6.859 5.374 -4.997 1.00 71.52 H new ATOM 0 HA ARG A 53 -6.873 6.678 -7.499 1.00 5.20 H new ATOM 0 HB2 ARG A 53 -9.228 7.141 -6.951 1.00 3.20 H new ATOM 0 HB3 ARG A 53 -8.748 7.840 -5.417 1.00 3.20 H new ATOM 0 HG2 ARG A 53 -7.479 9.594 -6.559 1.00 50.34 H new ATOM 0 HG3 ARG A 53 -7.798 8.858 -8.117 1.00 50.34 H new ATOM 0 HD2 ARG A 53 -10.248 9.228 -7.728 1.00 71.40 H new ATOM 0 HD3 ARG A 53 -9.845 10.083 -6.253 1.00 71.40 H new ATOM 0 HE ARG A 53 -8.318 11.478 -7.935 1.00 34.34 H new ATOM 0 HH11 ARG A 53 -11.648 10.355 -8.333 1.00 43.12 H new ATOM 0 HH12 ARG A 53 -12.052 11.615 -9.503 1.00 43.12 H new ATOM 0 HH21 ARG A 53 -8.822 13.050 -9.473 1.00 64.04 H new ATOM 0 HH22 ARG A 53 -10.452 13.139 -10.147 1.00 64.04 H new ATOM 760 N GLY A 54 -5.182 8.158 -6.465 1.00 73.13 N ATOM 761 CA GLY A 54 -4.117 8.909 -5.910 1.00 5.31 C ATOM 762 C GLY A 54 -2.924 8.885 -6.809 1.00 65.31 C ATOM 763 O GLY A 54 -2.688 7.888 -7.449 1.00 75.11 O ATOM 0 H GLY A 54 -5.203 8.150 -7.485 1.00 73.13 H new ATOM 0 HA2 GLY A 54 -4.437 9.939 -5.751 1.00 5.31 H new ATOM 0 HA3 GLY A 54 -3.850 8.503 -4.934 1.00 5.31 H new ATOM 767 N PRO A 55 -2.140 9.963 -6.889 1.00 43.32 N ATOM 768 CA PRO A 55 -0.922 10.004 -7.716 1.00 35.34 C ATOM 769 C PRO A 55 0.176 9.069 -7.177 1.00 61.22 C ATOM 770 O PRO A 55 1.204 8.862 -7.823 1.00 45.22 O ATOM 771 CB PRO A 55 -0.481 11.471 -7.641 1.00 42.50 C ATOM 772 CG PRO A 55 -1.678 12.204 -7.158 1.00 42.53 C ATOM 773 CD PRO A 55 -2.385 11.257 -6.250 1.00 10.42 C ATOM 0 HA PRO A 55 -1.106 9.663 -8.735 1.00 35.34 H new ATOM 0 HB2 PRO A 55 0.361 11.596 -6.960 1.00 42.50 H new ATOM 0 HB3 PRO A 55 -0.160 11.838 -8.616 1.00 42.50 H new ATOM 0 HG2 PRO A 55 -1.394 13.115 -6.631 1.00 42.53 H new ATOM 0 HG3 PRO A 55 -2.317 12.502 -7.989 1.00 42.53 H new ATOM 0 HD2 PRO A 55 -1.985 11.291 -5.237 1.00 10.42 H new ATOM 0 HD3 PRO A 55 -3.450 11.480 -6.180 1.00 10.42 H new ATOM 781 N ASN A 56 -0.065 8.533 -5.974 1.00 63.51 N ATOM 782 CA ASN A 56 0.805 7.542 -5.305 1.00 74.52 C ATOM 783 C ASN A 56 1.105 6.384 -6.243 1.00 20.13 C ATOM 784 O ASN A 56 2.241 5.997 -6.396 1.00 63.02 O ATOM 785 CB ASN A 56 0.110 6.982 -4.037 1.00 53.24 C ATOM 786 CG ASN A 56 -0.131 8.033 -2.968 1.00 34.24 C ATOM 787 OD1 ASN A 56 0.606 8.996 -2.864 1.00 14.55 O ATOM 788 ND2 ASN A 56 -1.147 7.842 -2.157 1.00 52.50 N ATOM 0 H ASN A 56 -0.887 8.778 -5.422 1.00 63.51 H new ATOM 0 HA ASN A 56 1.733 8.042 -5.027 1.00 74.52 H new ATOM 0 HB2 ASN A 56 -0.844 6.538 -4.321 1.00 53.24 H new ATOM 0 HB3 ASN A 56 0.722 6.183 -3.619 1.00 53.24 H new ATOM 0 HD21 ASN A 56 -1.338 8.512 -1.412 1.00 52.50 H new ATOM 0 HD22 ASN A 56 -1.745 7.024 -2.272 1.00 52.50 H new ATOM 795 N ALA A 57 0.069 5.874 -6.889 1.00 32.33 N ATOM 796 CA ALA A 57 0.170 4.784 -7.840 1.00 10.10 C ATOM 797 C ALA A 57 -1.185 4.614 -8.487 1.00 43.12 C ATOM 798 O ALA A 57 -2.094 5.363 -8.187 1.00 62.30 O ATOM 799 CB ALA A 57 0.620 3.480 -7.167 1.00 13.14 C ATOM 0 H ALA A 57 -0.884 6.215 -6.763 1.00 32.33 H new ATOM 0 HA ALA A 57 0.926 5.020 -8.588 1.00 10.10 H new ATOM 0 HB1 ALA A 57 0.683 2.688 -7.914 1.00 13.14 H new ATOM 0 HB2 ALA A 57 1.598 3.626 -6.709 1.00 13.14 H new ATOM 0 HB3 ALA A 57 -0.101 3.199 -6.400 1.00 13.14 H new ATOM 805 N GLY A 58 -1.327 3.645 -9.327 1.00 11.11 N ATOM 806 CA GLY A 58 -2.575 3.432 -10.021 1.00 65.43 C ATOM 807 C GLY A 58 -2.623 2.045 -10.567 1.00 41.12 C ATOM 808 O GLY A 58 -3.055 1.813 -11.703 1.00 5.32 O ATOM 0 H GLY A 58 -0.593 2.976 -9.559 1.00 11.11 H new ATOM 0 HA2 GLY A 58 -3.411 3.593 -9.341 1.00 65.43 H new ATOM 0 HA3 GLY A 58 -2.679 4.154 -10.831 1.00 65.43 H new ATOM 812 N ALA A 59 -2.169 1.125 -9.756 1.00 24.02 N ATOM 813 CA ALA A 59 -2.069 -0.255 -10.108 1.00 23.02 C ATOM 814 C ALA A 59 -2.006 -1.056 -8.829 1.00 63.42 C ATOM 815 O ALA A 59 -2.278 -0.514 -7.732 1.00 21.40 O ATOM 816 CB ALA A 59 -0.804 -0.487 -10.939 1.00 53.23 C ATOM 0 H ALA A 59 -1.852 1.328 -8.808 1.00 24.02 H new ATOM 0 HA ALA A 59 -2.930 -0.562 -10.702 1.00 23.02 H new ATOM 0 HB1 ALA A 59 -0.732 -1.542 -11.205 1.00 53.23 H new ATOM 0 HB2 ALA A 59 -0.850 0.114 -11.847 1.00 53.23 H new ATOM 0 HB3 ALA A 59 0.072 -0.199 -10.357 1.00 53.23 H new ATOM 822 N ARG A 60 -1.637 -2.305 -8.955 1.00 61.41 N ATOM 823 CA ARG A 60 -1.501 -3.198 -7.843 1.00 23.32 C ATOM 824 C ARG A 60 -0.046 -3.615 -7.709 1.00 42.10 C ATOM 825 O ARG A 60 0.625 -3.899 -8.711 1.00 22.11 O ATOM 826 CB ARG A 60 -2.412 -4.416 -8.021 1.00 10.14 C ATOM 827 CG ARG A 60 -2.182 -5.196 -9.295 1.00 73.25 C ATOM 828 CD ARG A 60 -3.093 -6.401 -9.385 1.00 62.10 C ATOM 829 NE ARG A 60 -2.908 -7.087 -10.655 1.00 33.40 N ATOM 830 CZ ARG A 60 -2.944 -8.403 -10.853 1.00 24.51 C ATOM 831 NH1 ARG A 60 -3.187 -9.243 -9.850 1.00 42.40 N ATOM 832 NH2 ARG A 60 -2.744 -8.872 -12.064 1.00 22.42 N ATOM 0 H ARG A 60 -1.419 -2.734 -9.854 1.00 61.41 H new ATOM 0 HA ARG A 60 -1.806 -2.690 -6.928 1.00 23.32 H new ATOM 0 HB2 ARG A 60 -2.272 -5.085 -7.172 1.00 10.14 H new ATOM 0 HB3 ARG A 60 -3.450 -4.083 -7.997 1.00 10.14 H new ATOM 0 HG2 ARG A 60 -2.351 -4.547 -10.155 1.00 73.25 H new ATOM 0 HG3 ARG A 60 -1.143 -5.521 -9.340 1.00 73.25 H new ATOM 0 HD2 ARG A 60 -2.884 -7.084 -8.562 1.00 62.10 H new ATOM 0 HD3 ARG A 60 -4.132 -6.087 -9.283 1.00 62.10 H new ATOM 0 HE ARG A 60 -2.734 -6.503 -11.473 1.00 33.40 H new ATOM 0 HH11 ARG A 60 -3.350 -8.882 -8.910 1.00 42.40 H new ATOM 0 HH12 ARG A 60 -3.211 -10.248 -10.021 1.00 42.40 H new ATOM 0 HH21 ARG A 60 -2.564 -8.230 -12.836 1.00 22.42 H new ATOM 0 HH22 ARG A 60 -2.768 -9.878 -12.232 1.00 22.42 H new ATOM 846 N PHE A 61 0.457 -3.599 -6.506 1.00 2.13 N ATOM 847 CA PHE A 61 1.833 -3.963 -6.259 1.00 63.04 C ATOM 848 C PHE A 61 1.931 -5.028 -5.204 1.00 75.03 C ATOM 849 O PHE A 61 1.439 -4.856 -4.086 1.00 35.04 O ATOM 850 CB PHE A 61 2.691 -2.743 -5.890 1.00 43.11 C ATOM 851 CG PHE A 61 2.891 -1.776 -7.027 1.00 65.51 C ATOM 852 CD1 PHE A 61 1.996 -0.742 -7.251 1.00 62.10 C ATOM 853 CD2 PHE A 61 3.974 -1.914 -7.880 1.00 55.02 C ATOM 854 CE1 PHE A 61 2.178 0.130 -8.303 1.00 44.42 C ATOM 855 CE2 PHE A 61 4.163 -1.042 -8.932 1.00 73.54 C ATOM 856 CZ PHE A 61 3.263 -0.019 -9.143 1.00 64.13 C ATOM 0 H PHE A 61 -0.067 -3.336 -5.671 1.00 2.13 H new ATOM 0 HA PHE A 61 2.230 -4.370 -7.189 1.00 63.04 H new ATOM 0 HB2 PHE A 61 2.222 -2.219 -5.057 1.00 43.11 H new ATOM 0 HB3 PHE A 61 3.665 -3.087 -5.542 1.00 43.11 H new ATOM 0 HD1 PHE A 61 1.147 -0.618 -6.595 1.00 62.10 H new ATOM 0 HD2 PHE A 61 4.680 -2.715 -7.719 1.00 55.02 H new ATOM 0 HE1 PHE A 61 1.472 0.930 -8.470 1.00 44.42 H new ATOM 0 HE2 PHE A 61 5.013 -1.160 -9.588 1.00 73.54 H new ATOM 0 HZ PHE A 61 3.407 0.666 -9.966 1.00 64.13 H new ATOM 866 N LEU A 62 2.530 -6.134 -5.580 1.00 34.52 N ATOM 867 CA LEU A 62 2.766 -7.249 -4.693 1.00 4.40 C ATOM 868 C LEU A 62 4.105 -6.996 -4.009 1.00 43.50 C ATOM 869 O LEU A 62 5.122 -6.853 -4.684 1.00 31.43 O ATOM 870 CB LEU A 62 2.813 -8.558 -5.525 1.00 60.32 C ATOM 871 CG LEU A 62 2.945 -9.891 -4.759 1.00 4.23 C ATOM 872 CD1 LEU A 62 1.715 -10.155 -3.917 1.00 11.04 C ATOM 873 CD2 LEU A 62 3.164 -11.046 -5.722 1.00 41.12 C ATOM 0 H LEU A 62 2.873 -6.287 -6.528 1.00 34.52 H new ATOM 0 HA LEU A 62 1.976 -7.349 -3.949 1.00 4.40 H new ATOM 0 HB2 LEU A 62 1.905 -8.606 -6.127 1.00 60.32 H new ATOM 0 HB3 LEU A 62 3.651 -8.485 -6.218 1.00 60.32 H new ATOM 0 HG LEU A 62 3.810 -9.810 -4.101 1.00 4.23 H new ATOM 0 HD11 LEU A 62 1.833 -11.100 -3.387 1.00 11.04 H new ATOM 0 HD12 LEU A 62 1.588 -9.348 -3.195 1.00 11.04 H new ATOM 0 HD13 LEU A 62 0.837 -10.207 -4.561 1.00 11.04 H new ATOM 0 HD21 LEU A 62 3.254 -11.976 -5.160 1.00 41.12 H new ATOM 0 HD22 LEU A 62 2.318 -11.116 -6.405 1.00 41.12 H new ATOM 0 HD23 LEU A 62 4.077 -10.876 -6.292 1.00 41.12 H new ATOM 885 N LEU A 63 4.107 -6.890 -2.703 1.00 12.03 N ATOM 886 CA LEU A 63 5.337 -6.588 -1.987 1.00 62.34 C ATOM 887 C LEU A 63 6.176 -7.840 -1.841 1.00 13.45 C ATOM 888 O LEU A 63 5.787 -8.785 -1.166 1.00 72.40 O ATOM 889 CB LEU A 63 5.072 -5.948 -0.599 1.00 51.25 C ATOM 890 CG LEU A 63 4.313 -4.595 -0.563 1.00 53.04 C ATOM 891 CD1 LEU A 63 4.899 -3.595 -1.549 1.00 32.21 C ATOM 892 CD2 LEU A 63 2.814 -4.772 -0.778 1.00 43.23 C ATOM 0 H LEU A 63 3.283 -7.006 -2.113 1.00 12.03 H new ATOM 0 HA LEU A 63 5.884 -5.853 -2.577 1.00 62.34 H new ATOM 0 HB2 LEU A 63 4.509 -6.665 -0.001 1.00 51.25 H new ATOM 0 HB3 LEU A 63 6.034 -5.807 -0.105 1.00 51.25 H new ATOM 0 HG LEU A 63 4.447 -4.187 0.439 1.00 53.04 H new ATOM 0 HD11 LEU A 63 4.341 -2.660 -1.494 1.00 32.21 H new ATOM 0 HD12 LEU A 63 5.944 -3.409 -1.301 1.00 32.21 H new ATOM 0 HD13 LEU A 63 4.833 -3.999 -2.559 1.00 32.21 H new ATOM 0 HD21 LEU A 63 2.324 -3.799 -0.745 1.00 43.23 H new ATOM 0 HD22 LEU A 63 2.638 -5.234 -1.749 1.00 43.23 H new ATOM 0 HD23 LEU A 63 2.407 -5.410 0.006 1.00 43.23 H new ATOM 904 N ASP A 64 7.319 -7.834 -2.470 1.00 34.23 N ATOM 905 CA ASP A 64 8.210 -8.992 -2.498 1.00 2.00 C ATOM 906 C ASP A 64 9.273 -8.869 -1.415 1.00 53.14 C ATOM 907 O ASP A 64 9.848 -9.859 -0.957 1.00 62.31 O ATOM 908 CB ASP A 64 8.869 -9.066 -3.883 1.00 11.51 C ATOM 909 CG ASP A 64 9.771 -10.260 -4.082 1.00 34.22 C ATOM 910 OD1 ASP A 64 9.273 -11.341 -4.467 1.00 63.01 O ATOM 911 OD2 ASP A 64 11.004 -10.129 -3.939 1.00 11.55 O ATOM 0 H ASP A 64 7.673 -7.028 -2.985 1.00 34.23 H new ATOM 0 HA ASP A 64 7.639 -9.901 -2.309 1.00 2.00 H new ATOM 0 HB2 ASP A 64 8.088 -9.086 -4.643 1.00 11.51 H new ATOM 0 HB3 ASP A 64 9.449 -8.157 -4.045 1.00 11.51 H new ATOM 916 N GLN A 65 9.476 -7.657 -0.980 1.00 74.13 N ATOM 917 CA GLN A 65 10.504 -7.319 -0.015 1.00 30.13 C ATOM 918 C GLN A 65 9.947 -7.237 1.422 1.00 73.30 C ATOM 919 O GLN A 65 8.852 -6.714 1.646 1.00 73.53 O ATOM 920 CB GLN A 65 11.156 -6.003 -0.423 1.00 74.15 C ATOM 921 CG GLN A 65 10.154 -4.902 -0.710 1.00 35.23 C ATOM 922 CD GLN A 65 10.788 -3.608 -1.127 1.00 3.02 C ATOM 923 OE1 GLN A 65 10.214 -2.867 -1.913 1.00 15.32 O ATOM 924 NE2 GLN A 65 11.937 -3.300 -0.588 1.00 23.31 N ATOM 0 H GLN A 65 8.925 -6.856 -1.287 1.00 74.13 H new ATOM 0 HA GLN A 65 11.250 -8.113 -0.013 1.00 30.13 H new ATOM 0 HB2 GLN A 65 11.827 -5.676 0.371 1.00 74.15 H new ATOM 0 HB3 GLN A 65 11.768 -6.168 -1.310 1.00 74.15 H new ATOM 0 HG2 GLN A 65 9.476 -5.235 -1.496 1.00 35.23 H new ATOM 0 HG3 GLN A 65 9.550 -4.731 0.181 1.00 35.23 H new ATOM 0 HE21 GLN A 65 12.384 -3.945 0.063 1.00 23.31 H new ATOM 0 HE22 GLN A 65 12.387 -2.414 -0.818 1.00 23.31 H new ATOM 933 N PRO A 66 10.714 -7.751 2.415 1.00 74.43 N ATOM 934 CA PRO A 66 10.297 -7.788 3.829 1.00 42.12 C ATOM 935 C PRO A 66 10.117 -6.402 4.474 1.00 5.23 C ATOM 936 O PRO A 66 9.410 -6.252 5.484 1.00 0.21 O ATOM 937 CB PRO A 66 11.434 -8.548 4.524 1.00 4.31 C ATOM 938 CG PRO A 66 12.598 -8.418 3.611 1.00 11.14 C ATOM 939 CD PRO A 66 12.032 -8.386 2.227 1.00 21.34 C ATOM 0 HA PRO A 66 9.316 -8.253 3.923 1.00 42.12 H new ATOM 0 HB2 PRO A 66 11.652 -8.123 5.504 1.00 4.31 H new ATOM 0 HB3 PRO A 66 11.171 -9.594 4.682 1.00 4.31 H new ATOM 0 HG2 PRO A 66 13.162 -7.510 3.824 1.00 11.14 H new ATOM 0 HG3 PRO A 66 13.285 -9.255 3.733 1.00 11.14 H new ATOM 0 HD2 PRO A 66 12.662 -7.812 1.548 1.00 21.34 H new ATOM 0 HD3 PRO A 66 11.940 -9.387 1.807 1.00 21.34 H new ATOM 947 N THR A 67 10.780 -5.415 3.949 1.00 1.31 N ATOM 948 CA THR A 67 10.646 -4.080 4.458 1.00 33.03 C ATOM 949 C THR A 67 10.500 -3.089 3.297 1.00 11.22 C ATOM 950 O THR A 67 11.460 -2.790 2.581 1.00 21.42 O ATOM 951 CB THR A 67 11.839 -3.717 5.375 1.00 30.31 C ATOM 952 OG1 THR A 67 11.978 -4.760 6.376 1.00 72.22 O ATOM 953 CG2 THR A 67 11.585 -2.396 6.087 1.00 63.42 C ATOM 0 H THR A 67 11.424 -5.509 3.163 1.00 1.31 H new ATOM 0 HA THR A 67 9.744 -4.022 5.067 1.00 33.03 H new ATOM 0 HB THR A 67 12.741 -3.626 4.770 1.00 30.31 H new ATOM 0 HG1 THR A 67 12.731 -4.548 6.967 1.00 72.22 H new ATOM 0 HG21 THR A 67 12.435 -2.158 6.727 1.00 63.42 H new ATOM 0 HG22 THR A 67 11.453 -1.604 5.349 1.00 63.42 H new ATOM 0 HG23 THR A 67 10.684 -2.478 6.696 1.00 63.42 H new ATOM 961 N THR A 68 9.288 -2.638 3.091 1.00 71.21 N ATOM 962 CA THR A 68 8.977 -1.729 2.016 1.00 74.23 C ATOM 963 C THR A 68 8.813 -0.304 2.574 1.00 53.55 C ATOM 964 O THR A 68 7.977 -0.060 3.449 1.00 1.24 O ATOM 965 CB THR A 68 7.674 -2.165 1.332 1.00 42.31 C ATOM 966 OG1 THR A 68 7.739 -3.571 1.044 1.00 42.14 O ATOM 967 CG2 THR A 68 7.476 -1.405 0.036 1.00 4.51 C ATOM 0 H THR A 68 8.485 -2.892 3.667 1.00 71.21 H new ATOM 0 HA THR A 68 9.789 -1.741 1.289 1.00 74.23 H new ATOM 0 HB THR A 68 6.839 -1.954 1.999 1.00 42.31 H new ATOM 0 HG1 THR A 68 6.908 -3.854 0.609 1.00 42.14 H new ATOM 0 HG21 THR A 68 6.548 -1.726 -0.436 1.00 4.51 H new ATOM 0 HG22 THR A 68 7.426 -0.336 0.245 1.00 4.51 H new ATOM 0 HG23 THR A 68 8.312 -1.605 -0.634 1.00 4.51 H new ATOM 975 N THR A 69 9.595 0.613 2.089 1.00 30.23 N ATOM 976 CA THR A 69 9.567 1.965 2.576 1.00 34.12 C ATOM 977 C THR A 69 8.705 2.837 1.651 1.00 60.43 C ATOM 978 O THR A 69 8.991 2.954 0.448 1.00 65.34 O ATOM 979 CB THR A 69 10.997 2.514 2.592 1.00 41.03 C ATOM 980 OG1 THR A 69 11.890 1.442 2.950 1.00 34.44 O ATOM 981 CG2 THR A 69 11.131 3.637 3.612 1.00 74.34 C ATOM 0 H THR A 69 10.272 0.448 1.344 1.00 30.23 H new ATOM 0 HA THR A 69 9.144 1.981 3.581 1.00 34.12 H new ATOM 0 HB THR A 69 11.242 2.910 1.607 1.00 41.03 H new ATOM 0 HG1 THR A 69 12.069 0.888 2.162 1.00 34.44 H new ATOM 0 HG21 THR A 69 12.154 4.013 3.607 1.00 74.34 H new ATOM 0 HG22 THR A 69 10.446 4.445 3.355 1.00 74.34 H new ATOM 0 HG23 THR A 69 10.888 3.258 4.605 1.00 74.34 H new ATOM 989 N ALA A 70 7.658 3.419 2.192 1.00 2.44 N ATOM 990 CA ALA A 70 6.805 4.290 1.427 1.00 15.30 C ATOM 991 C ALA A 70 7.174 5.733 1.692 1.00 74.35 C ATOM 992 O ALA A 70 7.387 6.143 2.849 1.00 53.41 O ATOM 993 CB ALA A 70 5.341 4.043 1.744 1.00 75.20 C ATOM 0 H ALA A 70 7.379 3.301 3.166 1.00 2.44 H new ATOM 0 HA ALA A 70 6.953 4.075 0.369 1.00 15.30 H new ATOM 0 HB1 ALA A 70 4.722 4.716 1.151 1.00 75.20 H new ATOM 0 HB2 ALA A 70 5.086 3.010 1.505 1.00 75.20 H new ATOM 0 HB3 ALA A 70 5.162 4.225 2.804 1.00 75.20 H new ATOM 999 N GLY A 71 7.276 6.475 0.643 1.00 23.54 N ATOM 1000 CA GLY A 71 7.623 7.854 0.717 1.00 63.33 C ATOM 1001 C GLY A 71 7.419 8.465 -0.628 1.00 70.12 C ATOM 1002 O GLY A 71 6.616 7.951 -1.416 1.00 32.14 O ATOM 0 H GLY A 71 7.118 6.136 -0.306 1.00 23.54 H new ATOM 0 HA2 GLY A 71 7.007 8.360 1.461 1.00 63.33 H new ATOM 0 HA3 GLY A 71 8.661 7.967 1.031 1.00 63.33 H new ATOM 1006 N ARG A 72 8.143 9.503 -0.946 1.00 61.43 N ATOM 1007 CA ARG A 72 7.932 10.128 -2.221 1.00 44.21 C ATOM 1008 C ARG A 72 8.825 9.528 -3.304 1.00 1.51 C ATOM 1009 O ARG A 72 8.368 9.340 -4.429 1.00 23.43 O ATOM 1010 CB ARG A 72 8.078 11.644 -2.169 1.00 52.32 C ATOM 1011 CG ARG A 72 7.500 12.307 -3.409 1.00 50.41 C ATOM 1012 CD ARG A 72 7.561 13.815 -3.356 1.00 0.44 C ATOM 1013 NE ARG A 72 6.741 14.395 -4.427 1.00 34.50 N ATOM 1014 CZ ARG A 72 6.808 15.642 -4.870 1.00 35.45 C ATOM 1015 NH1 ARG A 72 7.713 16.494 -4.389 1.00 13.15 N ATOM 1016 NH2 ARG A 72 5.965 16.025 -5.806 1.00 43.31 N ATOM 0 H ARG A 72 8.864 9.924 -0.359 1.00 61.43 H new ATOM 0 HA ARG A 72 6.896 9.920 -2.487 1.00 44.21 H new ATOM 0 HB2 ARG A 72 7.574 12.028 -1.282 1.00 52.32 H new ATOM 0 HB3 ARG A 72 9.132 11.905 -2.074 1.00 52.32 H new ATOM 0 HG2 ARG A 72 8.043 11.958 -4.287 1.00 50.41 H new ATOM 0 HG3 ARG A 72 6.463 11.995 -3.531 1.00 50.41 H new ATOM 0 HD2 ARG A 72 7.207 14.166 -2.387 1.00 0.44 H new ATOM 0 HD3 ARG A 72 8.594 14.148 -3.458 1.00 0.44 H new ATOM 0 HE ARG A 72 6.057 13.782 -4.871 1.00 34.50 H new ATOM 0 HH11 ARG A 72 8.368 16.190 -3.669 1.00 13.15 H new ATOM 0 HH12 ARG A 72 7.751 17.451 -4.741 1.00 13.15 H new ATOM 0 HH21 ARG A 72 5.279 15.367 -6.175 1.00 43.31 H new ATOM 0 HH22 ARG A 72 5.998 16.980 -6.162 1.00 43.31 H new ATOM 1030 N HIS A 73 10.084 9.202 -2.964 1.00 54.34 N ATOM 1031 CA HIS A 73 11.024 8.647 -3.957 1.00 21.22 C ATOM 1032 C HIS A 73 12.426 8.246 -3.379 1.00 34.12 C ATOM 1033 O HIS A 73 12.809 7.083 -3.512 1.00 42.44 O ATOM 1034 CB HIS A 73 11.219 9.592 -5.180 1.00 11.13 C ATOM 1035 CG HIS A 73 11.985 8.965 -6.310 1.00 71.04 C ATOM 1036 ND1 HIS A 73 13.347 9.053 -6.463 1.00 3.34 N ATOM 1037 CD2 HIS A 73 11.544 8.213 -7.341 1.00 42.24 C ATOM 1038 CE1 HIS A 73 13.689 8.369 -7.548 1.00 73.22 C ATOM 1039 NE2 HIS A 73 12.626 7.835 -8.127 1.00 63.54 N ATOM 0 H HIS A 73 10.471 9.310 -2.026 1.00 54.34 H new ATOM 0 HA HIS A 73 10.540 7.726 -4.282 1.00 21.22 H new ATOM 0 HB2 HIS A 73 10.241 9.906 -5.545 1.00 11.13 H new ATOM 0 HB3 HIS A 73 11.741 10.492 -4.854 1.00 11.13 H new ATOM 0 HD2 HIS A 73 10.514 7.947 -7.526 1.00 42.24 H new ATOM 0 HE1 HIS A 73 14.701 8.263 -7.910 1.00 73.22 H new ATOM 0 HE2 HIS A 73 12.605 7.265 -8.973 1.00 63.54 H new ATOM 1047 N PRO A 74 13.192 9.188 -2.706 1.00 71.41 N ATOM 1048 CA PRO A 74 14.646 8.983 -2.366 1.00 2.35 C ATOM 1049 C PRO A 74 15.013 7.663 -1.677 1.00 43.04 C ATOM 1050 O PRO A 74 16.014 7.042 -2.020 1.00 34.51 O ATOM 1051 CB PRO A 74 14.951 10.154 -1.438 1.00 12.13 C ATOM 1052 CG PRO A 74 14.017 11.214 -1.876 1.00 12.03 C ATOM 1053 CD PRO A 74 12.735 10.508 -2.202 1.00 44.51 C ATOM 0 HA PRO A 74 15.227 8.935 -3.287 1.00 2.35 H new ATOM 0 HB2 PRO A 74 14.790 9.887 -0.393 1.00 12.13 H new ATOM 0 HB3 PRO A 74 15.989 10.475 -1.529 1.00 12.13 H new ATOM 0 HG2 PRO A 74 13.868 11.955 -1.091 1.00 12.03 H new ATOM 0 HG3 PRO A 74 14.405 11.744 -2.746 1.00 12.03 H new ATOM 0 HD2 PRO A 74 12.098 10.405 -1.324 1.00 44.51 H new ATOM 0 HD3 PRO A 74 12.158 11.048 -2.953 1.00 44.51 H new ATOM 1061 N GLU A 75 14.217 7.225 -0.743 1.00 4.33 N ATOM 1062 CA GLU A 75 14.488 5.959 -0.074 1.00 71.33 C ATOM 1063 C GLU A 75 13.260 5.097 -0.177 1.00 43.42 C ATOM 1064 O GLU A 75 13.157 4.021 0.414 1.00 62.54 O ATOM 1065 CB GLU A 75 14.861 6.175 1.404 1.00 21.54 C ATOM 1066 CG GLU A 75 13.710 6.592 2.322 1.00 72.13 C ATOM 1067 CD GLU A 75 13.066 7.905 1.960 1.00 24.01 C ATOM 1068 OE1 GLU A 75 12.149 7.917 1.095 1.00 62.51 O ATOM 1069 OE2 GLU A 75 13.442 8.926 2.544 1.00 31.50 O ATOM 0 H GLU A 75 13.380 7.711 -0.421 1.00 4.33 H new ATOM 0 HA GLU A 75 15.336 5.473 -0.556 1.00 71.33 H new ATOM 0 HB2 GLU A 75 15.293 5.252 1.790 1.00 21.54 H new ATOM 0 HB3 GLU A 75 15.638 6.937 1.456 1.00 21.54 H new ATOM 0 HG2 GLU A 75 12.949 5.812 2.306 1.00 72.13 H new ATOM 0 HG3 GLU A 75 14.082 6.654 3.345 1.00 72.13 H new ATOM 1076 N SER A 76 12.345 5.577 -0.941 1.00 50.31 N ATOM 1077 CA SER A 76 11.094 4.967 -1.094 1.00 5.03 C ATOM 1078 C SER A 76 11.221 3.858 -2.121 1.00 50.21 C ATOM 1079 O SER A 76 11.638 4.101 -3.266 1.00 35.12 O ATOM 1080 CB SER A 76 10.129 6.031 -1.551 1.00 73.04 C ATOM 1081 OG SER A 76 10.315 7.232 -0.777 1.00 13.44 O ATOM 0 H SER A 76 12.460 6.430 -1.488 1.00 50.31 H new ATOM 0 HA SER A 76 10.734 4.528 -0.163 1.00 5.03 H new ATOM 0 HB2 SER A 76 10.283 6.243 -2.609 1.00 73.04 H new ATOM 0 HB3 SER A 76 9.105 5.675 -1.444 1.00 73.04 H new ATOM 0 HG SER A 76 10.996 7.076 -0.090 1.00 13.44 H new ATOM 1087 N ASP A 77 10.902 2.650 -1.705 1.00 71.52 N ATOM 1088 CA ASP A 77 10.982 1.470 -2.565 1.00 73.54 C ATOM 1089 C ASP A 77 9.966 1.581 -3.673 1.00 32.45 C ATOM 1090 O ASP A 77 10.167 1.101 -4.785 1.00 25.13 O ATOM 1091 CB ASP A 77 10.754 0.196 -1.755 1.00 34.21 C ATOM 1092 CG ASP A 77 11.827 -0.048 -0.715 1.00 22.44 C ATOM 1093 OD1 ASP A 77 12.835 -0.710 -1.013 1.00 1.34 O ATOM 1094 OD2 ASP A 77 11.680 0.414 0.431 1.00 20.42 O ATOM 0 H ASP A 77 10.578 2.450 -0.759 1.00 71.52 H new ATOM 0 HA ASP A 77 11.980 1.418 -3.001 1.00 73.54 H new ATOM 0 HB2 ASP A 77 9.784 0.256 -1.261 1.00 34.21 H new ATOM 0 HB3 ASP A 77 10.714 -0.656 -2.433 1.00 34.21 H new ATOM 1099 N ILE A 78 8.874 2.225 -3.354 1.00 24.34 N ATOM 1100 CA ILE A 78 7.868 2.572 -4.311 1.00 65.14 C ATOM 1101 C ILE A 78 7.626 4.058 -4.154 1.00 1.25 C ATOM 1102 O ILE A 78 7.673 4.575 -3.032 1.00 73.13 O ATOM 1103 CB ILE A 78 6.508 1.762 -4.191 1.00 53.42 C ATOM 1104 CG1 ILE A 78 5.713 2.035 -2.876 1.00 51.31 C ATOM 1105 CG2 ILE A 78 6.730 0.265 -4.391 1.00 1.13 C ATOM 1106 CD1 ILE A 78 6.362 1.578 -1.581 1.00 24.22 C ATOM 0 H ILE A 78 8.659 2.526 -2.403 1.00 24.34 H new ATOM 0 HA ILE A 78 8.235 2.304 -5.302 1.00 65.14 H new ATOM 0 HB ILE A 78 5.881 2.138 -5.000 1.00 53.42 H new ATOM 0 HG12 ILE A 78 5.530 3.107 -2.805 1.00 51.31 H new ATOM 0 HG13 ILE A 78 4.740 1.550 -2.959 1.00 51.31 H new ATOM 0 HG21 ILE A 78 5.778 -0.259 -4.302 1.00 1.13 H new ATOM 0 HG22 ILE A 78 7.150 0.089 -5.381 1.00 1.13 H new ATOM 0 HG23 ILE A 78 7.420 -0.105 -3.633 1.00 1.13 H new ATOM 0 HD11 ILE A 78 5.712 1.825 -0.741 1.00 24.22 H new ATOM 0 HD12 ILE A 78 6.519 0.500 -1.614 1.00 24.22 H new ATOM 0 HD13 ILE A 78 7.321 2.081 -1.457 1.00 24.22 H new ATOM 1118 N PHE A 79 7.429 4.742 -5.238 1.00 34.00 N ATOM 1119 CA PHE A 79 7.274 6.176 -5.203 1.00 34.11 C ATOM 1120 C PHE A 79 5.809 6.585 -5.217 1.00 44.32 C ATOM 1121 O PHE A 79 5.079 6.281 -6.152 1.00 63.40 O ATOM 1122 CB PHE A 79 8.088 6.854 -6.344 1.00 44.00 C ATOM 1123 CG PHE A 79 7.773 6.402 -7.759 1.00 34.33 C ATOM 1124 CD1 PHE A 79 8.273 5.206 -8.254 1.00 41.24 C ATOM 1125 CD2 PHE A 79 6.984 7.180 -8.589 1.00 11.22 C ATOM 1126 CE1 PHE A 79 7.990 4.797 -9.543 1.00 24.22 C ATOM 1127 CE2 PHE A 79 6.698 6.779 -9.878 1.00 62.23 C ATOM 1128 CZ PHE A 79 7.201 5.585 -10.356 1.00 13.31 C ATOM 0 H PHE A 79 7.370 4.332 -6.170 1.00 34.00 H new ATOM 0 HA PHE A 79 7.684 6.533 -4.258 1.00 34.11 H new ATOM 0 HB2 PHE A 79 7.927 7.930 -6.285 1.00 44.00 H new ATOM 0 HB3 PHE A 79 9.148 6.680 -6.158 1.00 44.00 H new ATOM 0 HD1 PHE A 79 8.892 4.586 -7.623 1.00 41.24 H new ATOM 0 HD2 PHE A 79 6.586 8.115 -8.222 1.00 11.22 H new ATOM 0 HE1 PHE A 79 8.385 3.863 -9.913 1.00 24.22 H new ATOM 0 HE2 PHE A 79 6.081 7.398 -10.512 1.00 62.23 H new ATOM 0 HZ PHE A 79 6.977 5.269 -11.364 1.00 13.31 H new ATOM 1138 N LEU A 80 5.390 7.242 -4.157 1.00 45.34 N ATOM 1139 CA LEU A 80 4.058 7.733 -4.004 1.00 22.13 C ATOM 1140 C LEU A 80 4.077 9.223 -4.277 1.00 22.41 C ATOM 1141 O LEU A 80 5.149 9.795 -4.514 1.00 2.14 O ATOM 1142 CB LEU A 80 3.528 7.507 -2.566 1.00 44.31 C ATOM 1143 CG LEU A 80 3.306 6.064 -2.069 1.00 12.54 C ATOM 1144 CD1 LEU A 80 4.607 5.314 -1.870 1.00 24.43 C ATOM 1145 CD2 LEU A 80 2.516 6.081 -0.783 1.00 20.22 C ATOM 0 H LEU A 80 5.993 7.450 -3.361 1.00 45.34 H new ATOM 0 HA LEU A 80 3.406 7.200 -4.696 1.00 22.13 H new ATOM 0 HB2 LEU A 80 4.224 7.988 -1.879 1.00 44.31 H new ATOM 0 HB3 LEU A 80 2.578 8.035 -2.479 1.00 44.31 H new ATOM 0 HG LEU A 80 2.746 5.536 -2.841 1.00 12.54 H new ATOM 0 HD11 LEU A 80 4.395 4.304 -1.520 1.00 24.43 H new ATOM 0 HD12 LEU A 80 5.147 5.264 -2.816 1.00 24.43 H new ATOM 0 HD13 LEU A 80 5.217 5.834 -1.131 1.00 24.43 H new ATOM 0 HD21 LEU A 80 2.362 5.059 -0.437 1.00 20.22 H new ATOM 0 HD22 LEU A 80 3.065 6.642 -0.026 1.00 20.22 H new ATOM 0 HD23 LEU A 80 1.550 6.555 -0.956 1.00 20.22 H new ATOM 1157 N ASP A 81 2.928 9.863 -4.204 1.00 32.24 N ATOM 1158 CA ASP A 81 2.847 11.286 -4.424 1.00 74.14 C ATOM 1159 C ASP A 81 1.528 11.834 -3.908 1.00 72.52 C ATOM 1160 O ASP A 81 0.527 11.879 -4.614 1.00 0.30 O ATOM 1161 CB ASP A 81 3.068 11.673 -5.901 1.00 34.51 C ATOM 1162 CG ASP A 81 3.261 13.169 -6.104 1.00 32.11 C ATOM 1163 OD1 ASP A 81 2.272 13.913 -6.303 1.00 54.01 O ATOM 1164 OD2 ASP A 81 4.429 13.635 -6.090 1.00 1.32 O ATOM 0 H ASP A 81 2.036 9.415 -3.993 1.00 32.24 H new ATOM 0 HA ASP A 81 3.660 11.742 -3.859 1.00 74.14 H new ATOM 0 HB2 ASP A 81 3.942 11.145 -6.282 1.00 34.51 H new ATOM 0 HB3 ASP A 81 2.213 11.340 -6.489 1.00 34.51 H new ATOM 1169 N ASP A 82 1.508 12.113 -2.641 1.00 45.12 N ATOM 1170 CA ASP A 82 0.404 12.825 -2.002 1.00 2.12 C ATOM 1171 C ASP A 82 0.849 14.278 -1.925 1.00 31.12 C ATOM 1172 O ASP A 82 2.039 14.556 -2.129 1.00 45.20 O ATOM 1173 CB ASP A 82 0.102 12.238 -0.581 1.00 73.13 C ATOM 1174 CG ASP A 82 -0.990 12.982 0.191 1.00 51.11 C ATOM 1175 OD1 ASP A 82 -0.662 13.967 0.892 1.00 53.23 O ATOM 1176 OD2 ASP A 82 -2.158 12.598 0.127 1.00 31.50 O ATOM 0 H ASP A 82 2.259 11.857 -2.000 1.00 45.12 H new ATOM 0 HA ASP A 82 -0.523 12.724 -2.566 1.00 2.12 H new ATOM 0 HB2 ASP A 82 -0.192 11.194 -0.688 1.00 73.13 H new ATOM 0 HB3 ASP A 82 1.020 12.252 0.007 1.00 73.13 H new ATOM 1181 N VAL A 83 -0.039 15.201 -1.673 1.00 20.23 N ATOM 1182 CA VAL A 83 0.354 16.598 -1.622 1.00 40.44 C ATOM 1183 C VAL A 83 1.235 16.871 -0.380 1.00 11.10 C ATOM 1184 O VAL A 83 2.112 17.734 -0.398 1.00 61.20 O ATOM 1185 CB VAL A 83 -0.882 17.561 -1.687 1.00 35.51 C ATOM 1186 CG1 VAL A 83 -1.825 17.373 -0.511 1.00 60.43 C ATOM 1187 CG2 VAL A 83 -0.453 19.021 -1.820 1.00 45.31 C ATOM 0 H VAL A 83 -1.029 15.023 -1.501 1.00 20.23 H new ATOM 0 HA VAL A 83 0.952 16.807 -2.509 1.00 40.44 H new ATOM 0 HB VAL A 83 -1.435 17.292 -2.587 1.00 35.51 H new ATOM 0 HG11 VAL A 83 -2.664 18.063 -0.603 1.00 60.43 H new ATOM 0 HG12 VAL A 83 -2.197 16.348 -0.503 1.00 60.43 H new ATOM 0 HG13 VAL A 83 -1.292 17.573 0.418 1.00 60.43 H new ATOM 0 HG21 VAL A 83 -1.337 19.658 -1.862 1.00 45.31 H new ATOM 0 HG22 VAL A 83 0.155 19.301 -0.960 1.00 45.31 H new ATOM 0 HG23 VAL A 83 0.129 19.148 -2.733 1.00 45.31 H new ATOM 1197 N THR A 84 1.046 16.077 0.656 1.00 71.21 N ATOM 1198 CA THR A 84 1.787 16.230 1.878 1.00 24.20 C ATOM 1199 C THR A 84 2.590 14.924 2.143 1.00 62.24 C ATOM 1200 O THR A 84 2.773 14.492 3.285 1.00 13.45 O ATOM 1201 CB THR A 84 0.791 16.510 3.034 1.00 75.41 C ATOM 1202 OG1 THR A 84 -0.207 17.444 2.566 1.00 60.15 O ATOM 1203 CG2 THR A 84 1.505 17.139 4.231 1.00 74.15 C ATOM 0 H THR A 84 0.373 15.310 0.667 1.00 71.21 H new ATOM 0 HA THR A 84 2.486 17.064 1.807 1.00 24.20 H new ATOM 0 HB THR A 84 0.341 15.566 3.342 1.00 75.41 H new ATOM 0 HG1 THR A 84 -0.845 17.629 3.286 1.00 60.15 H new ATOM 0 HG21 THR A 84 0.785 17.325 5.028 1.00 74.15 H new ATOM 0 HG22 THR A 84 2.277 16.460 4.592 1.00 74.15 H new ATOM 0 HG23 THR A 84 1.963 18.081 3.928 1.00 74.15 H new ATOM 1211 N VAL A 85 3.092 14.316 1.084 1.00 60.13 N ATOM 1212 CA VAL A 85 3.856 13.082 1.220 1.00 4.42 C ATOM 1213 C VAL A 85 5.289 13.427 1.605 1.00 53.10 C ATOM 1214 O VAL A 85 5.837 14.431 1.151 1.00 40.40 O ATOM 1215 CB VAL A 85 3.848 12.215 -0.089 1.00 65.14 C ATOM 1216 CG1 VAL A 85 4.580 12.891 -1.236 1.00 62.25 C ATOM 1217 CG2 VAL A 85 4.396 10.812 0.160 1.00 43.13 C ATOM 0 H VAL A 85 2.988 14.650 0.126 1.00 60.13 H new ATOM 0 HA VAL A 85 3.382 12.482 1.997 1.00 4.42 H new ATOM 0 HB VAL A 85 2.804 12.119 -0.388 1.00 65.14 H new ATOM 0 HG11 VAL A 85 4.546 12.251 -2.117 1.00 62.25 H new ATOM 0 HG12 VAL A 85 4.102 13.844 -1.461 1.00 62.25 H new ATOM 0 HG13 VAL A 85 5.618 13.064 -0.953 1.00 62.25 H new ATOM 0 HG21 VAL A 85 4.374 10.243 -0.769 1.00 43.13 H new ATOM 0 HG22 VAL A 85 5.423 10.881 0.519 1.00 43.13 H new ATOM 0 HG23 VAL A 85 3.783 10.309 0.908 1.00 43.13 H new ATOM 1227 N SER A 86 5.858 12.664 2.477 1.00 75.23 N ATOM 1228 CA SER A 86 7.204 12.898 2.891 1.00 35.24 C ATOM 1229 C SER A 86 8.058 11.673 2.602 1.00 71.43 C ATOM 1230 O SER A 86 7.545 10.551 2.582 1.00 21.54 O ATOM 1231 CB SER A 86 7.219 13.204 4.383 1.00 62.12 C ATOM 1232 OG SER A 86 6.358 14.296 4.686 1.00 63.43 O ATOM 0 H SER A 86 5.408 11.864 2.922 1.00 75.23 H new ATOM 0 HA SER A 86 7.614 13.745 2.340 1.00 35.24 H new ATOM 0 HB2 SER A 86 6.906 12.322 4.942 1.00 62.12 H new ATOM 0 HB3 SER A 86 8.235 13.438 4.700 1.00 62.12 H new ATOM 0 HG SER A 86 6.382 14.474 5.649 1.00 63.43 H new ATOM 1238 N ARG A 87 9.324 11.895 2.287 1.00 43.50 N ATOM 1239 CA ARG A 87 10.285 10.804 2.186 1.00 1.23 C ATOM 1240 C ARG A 87 10.336 10.118 3.551 1.00 70.42 C ATOM 1241 O ARG A 87 10.418 10.809 4.577 1.00 55.34 O ATOM 1242 CB ARG A 87 11.693 11.295 1.716 1.00 63.12 C ATOM 1243 CG ARG A 87 12.514 12.204 2.670 1.00 23.42 C ATOM 1244 CD ARG A 87 11.832 13.531 2.961 1.00 34.41 C ATOM 1245 NE ARG A 87 12.732 14.522 3.553 1.00 32.54 N ATOM 1246 CZ ARG A 87 12.366 15.464 4.433 1.00 21.24 C ATOM 1247 NH1 ARG A 87 11.244 15.337 5.135 1.00 61.12 N ATOM 1248 NH2 ARG A 87 13.173 16.483 4.680 1.00 34.30 N ATOM 0 H ARG A 87 9.712 12.819 2.097 1.00 43.50 H new ATOM 0 HA ARG A 87 9.968 10.095 1.421 1.00 1.23 H new ATOM 0 HB2 ARG A 87 12.296 10.414 1.497 1.00 63.12 H new ATOM 0 HB3 ARG A 87 11.561 11.833 0.777 1.00 63.12 H new ATOM 0 HG2 ARG A 87 12.684 11.676 3.608 1.00 23.42 H new ATOM 0 HG3 ARG A 87 13.493 12.394 2.229 1.00 23.42 H new ATOM 0 HD2 ARG A 87 11.419 13.931 2.035 1.00 34.41 H new ATOM 0 HD3 ARG A 87 10.994 13.361 3.636 1.00 34.41 H new ATOM 0 HE ARG A 87 13.713 14.493 3.274 1.00 32.54 H new ATOM 0 HH11 ARG A 87 10.652 14.516 5.006 1.00 61.12 H new ATOM 0 HH12 ARG A 87 10.975 16.060 5.802 1.00 61.12 H new ATOM 0 HH21 ARG A 87 14.071 16.550 4.201 1.00 34.30 H new ATOM 0 HH22 ARG A 87 12.897 17.202 5.349 1.00 34.30 H new ATOM 1262 N ARG A 88 10.254 8.784 3.565 1.00 43.44 N ATOM 1263 CA ARG A 88 10.056 8.033 4.813 1.00 74.24 C ATOM 1264 C ARG A 88 8.760 8.481 5.485 1.00 13.23 C ATOM 1265 O ARG A 88 8.765 9.252 6.451 1.00 13.42 O ATOM 1266 CB ARG A 88 11.263 8.133 5.767 1.00 44.31 C ATOM 1267 CG ARG A 88 12.350 7.110 5.517 1.00 73.21 C ATOM 1268 CD ARG A 88 13.700 7.614 5.989 1.00 75.21 C ATOM 1269 NE ARG A 88 14.217 8.639 5.070 1.00 51.53 N ATOM 1270 CZ ARG A 88 15.254 9.436 5.263 1.00 63.53 C ATOM 1271 NH1 ARG A 88 15.878 9.490 6.434 1.00 44.41 N ATOM 1272 NH2 ARG A 88 15.659 10.209 4.265 1.00 33.55 N ATOM 0 H ARG A 88 10.321 8.202 2.730 1.00 43.44 H new ATOM 0 HA ARG A 88 9.972 6.977 4.558 1.00 74.24 H new ATOM 0 HB2 ARG A 88 11.695 9.130 5.683 1.00 44.31 H new ATOM 0 HB3 ARG A 88 10.909 8.025 6.792 1.00 44.31 H new ATOM 0 HG2 ARG A 88 12.105 6.182 6.034 1.00 73.21 H new ATOM 0 HG3 ARG A 88 12.397 6.879 4.453 1.00 73.21 H new ATOM 0 HD2 ARG A 88 13.609 8.029 6.993 1.00 75.21 H new ATOM 0 HD3 ARG A 88 14.404 6.784 6.050 1.00 75.21 H new ATOM 0 HE ARG A 88 13.720 8.747 4.186 1.00 51.53 H new ATOM 0 HH11 ARG A 88 15.559 8.908 7.209 1.00 44.41 H new ATOM 0 HH12 ARG A 88 16.676 10.113 6.558 1.00 44.41 H new ATOM 0 HH21 ARG A 88 15.172 10.182 3.369 1.00 33.55 H new ATOM 0 HH22 ARG A 88 16.457 10.831 4.393 1.00 33.55 H new ATOM 1286 N HIS A 89 7.662 8.052 4.915 1.00 51.32 N ATOM 1287 CA HIS A 89 6.344 8.417 5.389 1.00 44.15 C ATOM 1288 C HIS A 89 5.803 7.265 6.220 1.00 35.31 C ATOM 1289 O HIS A 89 5.526 7.401 7.406 1.00 3.43 O ATOM 1290 CB HIS A 89 5.431 8.685 4.165 1.00 32.40 C ATOM 1291 CG HIS A 89 4.070 9.268 4.461 1.00 62.11 C ATOM 1292 ND1 HIS A 89 3.674 10.467 3.907 1.00 4.43 N ATOM 1293 CD2 HIS A 89 3.041 8.755 5.183 1.00 1.13 C ATOM 1294 CE1 HIS A 89 2.425 10.646 4.300 1.00 44.13 C ATOM 1295 NE2 HIS A 89 2.001 9.641 5.071 1.00 4.31 N ATOM 0 H HIS A 89 7.654 7.435 4.103 1.00 51.32 H new ATOM 0 HA HIS A 89 6.381 9.317 6.002 1.00 44.15 H new ATOM 0 HB2 HIS A 89 5.954 9.362 3.490 1.00 32.40 H new ATOM 0 HB3 HIS A 89 5.292 7.746 3.630 1.00 32.40 H new ATOM 0 HD2 HIS A 89 3.042 7.829 5.738 1.00 1.13 H new ATOM 0 HE1 HIS A 89 1.821 11.500 4.031 1.00 44.13 H new ATOM 0 HE2 HIS A 89 1.078 9.550 5.496 1.00 4.31 H new ATOM 1303 N ALA A 90 5.712 6.127 5.606 1.00 35.34 N ATOM 1304 CA ALA A 90 5.219 4.957 6.257 1.00 23.43 C ATOM 1305 C ALA A 90 6.094 3.807 5.890 1.00 43.05 C ATOM 1306 O ALA A 90 6.493 3.666 4.731 1.00 55.15 O ATOM 1307 CB ALA A 90 3.781 4.678 5.851 1.00 1.51 C ATOM 0 H ALA A 90 5.980 5.984 4.632 1.00 35.34 H new ATOM 0 HA ALA A 90 5.234 5.107 7.336 1.00 23.43 H new ATOM 0 HB1 ALA A 90 3.427 3.781 6.360 1.00 1.51 H new ATOM 0 HB2 ALA A 90 3.154 5.525 6.129 1.00 1.51 H new ATOM 0 HB3 ALA A 90 3.730 4.527 4.773 1.00 1.51 H new ATOM 1313 N GLU A 91 6.436 3.018 6.836 1.00 61.23 N ATOM 1314 CA GLU A 91 7.238 1.878 6.563 1.00 74.41 C ATOM 1315 C GLU A 91 6.364 0.652 6.700 1.00 61.13 C ATOM 1316 O GLU A 91 5.695 0.464 7.728 1.00 63.11 O ATOM 1317 CB GLU A 91 8.429 1.849 7.524 1.00 31.23 C ATOM 1318 CG GLU A 91 9.432 0.737 7.284 1.00 70.22 C ATOM 1319 CD GLU A 91 10.619 0.851 8.207 1.00 13.54 C ATOM 1320 OE1 GLU A 91 11.610 1.526 7.849 1.00 63.24 O ATOM 1321 OE2 GLU A 91 10.595 0.295 9.314 1.00 62.52 O ATOM 0 H GLU A 91 6.174 3.137 7.814 1.00 61.23 H new ATOM 0 HA GLU A 91 7.643 1.908 5.551 1.00 74.41 H new ATOM 0 HB2 GLU A 91 8.949 2.805 7.460 1.00 31.23 H new ATOM 0 HB3 GLU A 91 8.050 1.760 8.542 1.00 31.23 H new ATOM 0 HG2 GLU A 91 8.948 -0.228 7.431 1.00 70.22 H new ATOM 0 HG3 GLU A 91 9.771 0.769 6.249 1.00 70.22 H new ATOM 1328 N PHE A 92 6.359 -0.156 5.678 1.00 53.14 N ATOM 1329 CA PHE A 92 5.569 -1.350 5.638 1.00 2.22 C ATOM 1330 C PHE A 92 6.467 -2.519 5.852 1.00 22.45 C ATOM 1331 O PHE A 92 7.327 -2.826 5.018 1.00 4.22 O ATOM 1332 CB PHE A 92 4.850 -1.496 4.288 1.00 53.12 C ATOM 1333 CG PHE A 92 3.779 -0.476 4.020 1.00 1.22 C ATOM 1334 CD1 PHE A 92 4.096 0.794 3.564 1.00 31.24 C ATOM 1335 CD2 PHE A 92 2.450 -0.798 4.211 1.00 60.42 C ATOM 1336 CE1 PHE A 92 3.103 1.720 3.309 1.00 11.24 C ATOM 1337 CE2 PHE A 92 1.457 0.121 3.959 1.00 50.03 C ATOM 1338 CZ PHE A 92 1.781 1.383 3.508 1.00 33.40 C ATOM 0 H PHE A 92 6.913 0.001 4.836 1.00 53.14 H new ATOM 0 HA PHE A 92 4.811 -1.299 6.419 1.00 2.22 H new ATOM 0 HB2 PHE A 92 5.592 -1.439 3.491 1.00 53.12 H new ATOM 0 HB3 PHE A 92 4.404 -2.489 4.237 1.00 53.12 H new ATOM 0 HD1 PHE A 92 5.130 1.062 3.406 1.00 31.24 H new ATOM 0 HD2 PHE A 92 2.186 -1.784 4.563 1.00 60.42 H new ATOM 0 HE1 PHE A 92 3.362 2.707 2.954 1.00 11.24 H new ATOM 0 HE2 PHE A 92 0.422 -0.147 4.115 1.00 50.03 H new ATOM 0 HZ PHE A 92 1.002 2.105 3.311 1.00 33.40 H new ATOM 1348 N ARG A 93 6.297 -3.158 6.942 1.00 72.31 N ATOM 1349 CA ARG A 93 7.095 -4.286 7.263 1.00 2.12 C ATOM 1350 C ARG A 93 6.196 -5.496 7.344 1.00 71.33 C ATOM 1351 O ARG A 93 5.029 -5.394 7.740 1.00 61.23 O ATOM 1352 CB ARG A 93 7.826 -4.043 8.596 1.00 70.01 C ATOM 1353 CG ARG A 93 8.748 -5.169 9.037 1.00 4.33 C ATOM 1354 CD ARG A 93 9.361 -4.868 10.386 1.00 42.43 C ATOM 1355 NE ARG A 93 10.171 -5.990 10.891 1.00 10.03 N ATOM 1356 CZ ARG A 93 10.024 -6.537 12.113 1.00 62.41 C ATOM 1357 NH1 ARG A 93 9.174 -5.995 12.997 1.00 74.03 N ATOM 1358 NH2 ARG A 93 10.758 -7.595 12.464 1.00 41.05 N ATOM 0 H ARG A 93 5.598 -2.917 7.645 1.00 72.31 H new ATOM 0 HA ARG A 93 7.851 -4.454 6.496 1.00 2.12 H new ATOM 0 HB2 ARG A 93 8.411 -3.127 8.511 1.00 70.01 H new ATOM 0 HB3 ARG A 93 7.083 -3.876 9.376 1.00 70.01 H new ATOM 0 HG2 ARG A 93 8.189 -6.103 9.088 1.00 4.33 H new ATOM 0 HG3 ARG A 93 9.537 -5.309 8.298 1.00 4.33 H new ATOM 0 HD2 ARG A 93 9.985 -3.977 10.309 1.00 42.43 H new ATOM 0 HD3 ARG A 93 8.570 -4.643 11.101 1.00 42.43 H new ATOM 0 HE ARG A 93 10.888 -6.377 10.277 1.00 10.03 H new ATOM 0 HH11 ARG A 93 8.636 -5.166 12.745 1.00 74.03 H new ATOM 0 HH12 ARG A 93 9.065 -6.412 13.922 1.00 74.03 H new ATOM 0 HH21 ARG A 93 11.431 -7.990 11.807 1.00 41.05 H new ATOM 0 HH22 ARG A 93 10.646 -8.009 13.390 1.00 41.05 H new ATOM 1372 N ILE A 94 6.713 -6.614 6.988 1.00 32.20 N ATOM 1373 CA ILE A 94 5.962 -7.826 7.070 1.00 62.03 C ATOM 1374 C ILE A 94 6.608 -8.717 8.093 1.00 4.43 C ATOM 1375 O ILE A 94 7.831 -8.755 8.221 1.00 25.34 O ATOM 1376 CB ILE A 94 5.839 -8.564 5.682 1.00 1.10 C ATOM 1377 CG1 ILE A 94 5.132 -9.936 5.830 1.00 52.01 C ATOM 1378 CG2 ILE A 94 7.188 -8.703 4.994 1.00 4.24 C ATOM 1379 CD1 ILE A 94 4.984 -10.715 4.536 1.00 61.45 C ATOM 0 H ILE A 94 7.663 -6.722 6.632 1.00 32.20 H new ATOM 0 HA ILE A 94 4.943 -7.579 7.368 1.00 62.03 H new ATOM 0 HB ILE A 94 5.215 -7.941 5.041 1.00 1.10 H new ATOM 0 HG12 ILE A 94 5.691 -10.543 6.542 1.00 52.01 H new ATOM 0 HG13 ILE A 94 4.142 -9.775 6.257 1.00 52.01 H new ATOM 0 HG21 ILE A 94 7.059 -9.217 4.041 1.00 4.24 H new ATOM 0 HG22 ILE A 94 7.611 -7.714 4.819 1.00 4.24 H new ATOM 0 HG23 ILE A 94 7.862 -9.278 5.628 1.00 4.24 H new ATOM 0 HD11 ILE A 94 4.479 -11.660 4.736 1.00 61.45 H new ATOM 0 HD12 ILE A 94 4.397 -10.133 3.826 1.00 61.45 H new ATOM 0 HD13 ILE A 94 5.970 -10.912 4.115 1.00 61.45 H new ATOM 1391 N ASN A 95 5.787 -9.325 8.882 1.00 61.24 N ATOM 1392 CA ASN A 95 6.196 -10.247 9.880 1.00 62.13 C ATOM 1393 C ASN A 95 5.562 -11.556 9.516 1.00 33.35 C ATOM 1394 O ASN A 95 4.515 -11.554 8.877 1.00 4.52 O ATOM 1395 CB ASN A 95 5.812 -9.773 11.291 1.00 54.23 C ATOM 1396 CG ASN A 95 6.530 -10.553 12.390 1.00 31.13 C ATOM 1397 OD1 ASN A 95 7.640 -11.053 12.194 1.00 74.21 O ATOM 1398 ND2 ASN A 95 5.939 -10.626 13.550 1.00 24.12 N ATOM 0 H ASN A 95 4.777 -9.186 8.846 1.00 61.24 H new ATOM 0 HA ASN A 95 7.281 -10.343 9.912 1.00 62.13 H new ATOM 0 HB2 ASN A 95 6.047 -8.713 11.390 1.00 54.23 H new ATOM 0 HB3 ASN A 95 4.735 -9.874 11.423 1.00 54.23 H new ATOM 0 HD21 ASN A 95 6.395 -11.107 14.325 1.00 24.12 H new ATOM 0 HD22 ASN A 95 5.020 -10.203 13.682 1.00 24.12 H new ATOM 1405 N GLU A 96 6.232 -12.652 9.818 1.00 33.51 N ATOM 1406 CA GLU A 96 5.827 -14.026 9.436 1.00 52.11 C ATOM 1407 C GLU A 96 4.315 -14.378 9.584 1.00 4.21 C ATOM 1408 O GLU A 96 3.838 -15.353 8.984 1.00 5.04 O ATOM 1409 CB GLU A 96 6.729 -15.063 10.143 1.00 72.22 C ATOM 1410 CG GLU A 96 6.903 -14.886 11.667 1.00 73.22 C ATOM 1411 CD GLU A 96 5.634 -15.075 12.469 1.00 3.14 C ATOM 1412 OE1 GLU A 96 5.186 -16.235 12.628 1.00 40.21 O ATOM 1413 OE2 GLU A 96 5.079 -14.077 12.986 1.00 54.15 O ATOM 0 H GLU A 96 7.101 -12.629 10.351 1.00 33.51 H new ATOM 0 HA GLU A 96 5.977 -14.066 8.357 1.00 52.11 H new ATOM 0 HB2 GLU A 96 6.320 -16.056 9.958 1.00 72.22 H new ATOM 0 HB3 GLU A 96 7.715 -15.033 9.679 1.00 72.22 H new ATOM 0 HG2 GLU A 96 7.650 -15.597 12.020 1.00 73.22 H new ATOM 0 HG3 GLU A 96 7.296 -13.888 11.862 1.00 73.22 H new ATOM 1420 N GLY A 97 3.590 -13.625 10.362 1.00 25.12 N ATOM 1421 CA GLY A 97 2.197 -13.891 10.546 1.00 53.03 C ATOM 1422 C GLY A 97 1.298 -12.751 10.100 1.00 52.13 C ATOM 1423 O GLY A 97 0.166 -13.003 9.659 1.00 11.02 O ATOM 0 H GLY A 97 3.945 -12.820 10.879 1.00 25.12 H new ATOM 0 HA2 GLY A 97 1.931 -14.791 9.992 1.00 53.03 H new ATOM 0 HA3 GLY A 97 2.011 -14.099 11.600 1.00 53.03 H new ATOM 1427 N GLU A 98 1.781 -11.506 10.165 1.00 1.31 N ATOM 1428 CA GLU A 98 0.923 -10.355 9.873 1.00 1.55 C ATOM 1429 C GLU A 98 1.800 -9.113 9.557 1.00 12.31 C ATOM 1430 O GLU A 98 3.026 -9.198 9.623 1.00 2.14 O ATOM 1431 CB GLU A 98 -0.023 -10.145 11.078 1.00 2.55 C ATOM 1432 CG GLU A 98 -1.217 -9.232 10.854 1.00 34.42 C ATOM 1433 CD GLU A 98 -2.205 -9.331 11.993 1.00 23.21 C ATOM 1434 OE1 GLU A 98 -1.839 -9.023 13.130 1.00 2.14 O ATOM 1435 OE2 GLU A 98 -3.352 -9.803 11.773 1.00 3.12 O ATOM 0 H GLU A 98 2.743 -11.272 10.412 1.00 1.31 H new ATOM 0 HA GLU A 98 0.309 -10.526 8.989 1.00 1.55 H new ATOM 0 HB2 GLU A 98 -0.394 -11.120 11.394 1.00 2.55 H new ATOM 0 HB3 GLU A 98 0.563 -9.744 11.905 1.00 2.55 H new ATOM 0 HG2 GLU A 98 -0.876 -8.202 10.754 1.00 34.42 H new ATOM 0 HG3 GLU A 98 -1.710 -9.497 9.918 1.00 34.42 H new ATOM 1442 N PHE A 99 1.193 -7.986 9.220 1.00 43.01 N ATOM 1443 CA PHE A 99 1.938 -6.815 8.774 1.00 55.25 C ATOM 1444 C PHE A 99 2.060 -5.732 9.833 1.00 43.24 C ATOM 1445 O PHE A 99 1.109 -5.422 10.547 1.00 21.45 O ATOM 1446 CB PHE A 99 1.347 -6.242 7.480 1.00 4.51 C ATOM 1447 CG PHE A 99 1.565 -7.115 6.275 1.00 23.24 C ATOM 1448 CD1 PHE A 99 0.775 -8.231 6.048 1.00 31.33 C ATOM 1449 CD2 PHE A 99 2.566 -6.815 5.368 1.00 72.42 C ATOM 1450 CE1 PHE A 99 0.984 -9.031 4.945 1.00 11.03 C ATOM 1451 CE2 PHE A 99 2.776 -7.611 4.261 1.00 72.13 C ATOM 1452 CZ PHE A 99 1.984 -8.719 4.051 1.00 64.23 C ATOM 0 H PHE A 99 0.182 -7.855 9.247 1.00 43.01 H new ATOM 0 HA PHE A 99 2.951 -7.166 8.577 1.00 55.25 H new ATOM 0 HB2 PHE A 99 0.277 -6.089 7.617 1.00 4.51 H new ATOM 0 HB3 PHE A 99 1.788 -5.263 7.292 1.00 4.51 H new ATOM 0 HD1 PHE A 99 -0.014 -8.477 6.744 1.00 31.33 H new ATOM 0 HD2 PHE A 99 3.190 -5.948 5.528 1.00 72.42 H new ATOM 0 HE1 PHE A 99 0.365 -9.901 4.782 1.00 11.03 H new ATOM 0 HE2 PHE A 99 3.560 -7.366 3.560 1.00 72.13 H new ATOM 0 HZ PHE A 99 2.148 -9.343 3.185 1.00 64.23 H new ATOM 1462 N GLU A 100 3.230 -5.162 9.906 1.00 51.10 N ATOM 1463 CA GLU A 100 3.542 -4.097 10.818 1.00 60.53 C ATOM 1464 C GLU A 100 3.794 -2.832 10.007 1.00 62.44 C ATOM 1465 O GLU A 100 4.710 -2.785 9.190 1.00 31.21 O ATOM 1466 CB GLU A 100 4.784 -4.462 11.646 1.00 22.32 C ATOM 1467 CG GLU A 100 5.272 -3.355 12.569 1.00 3.23 C ATOM 1468 CD GLU A 100 6.458 -3.768 13.397 1.00 25.33 C ATOM 1469 OE1 GLU A 100 7.598 -3.783 12.890 1.00 31.41 O ATOM 1470 OE2 GLU A 100 6.279 -4.062 14.591 1.00 44.04 O ATOM 0 H GLU A 100 4.016 -5.433 9.315 1.00 51.10 H new ATOM 0 HA GLU A 100 2.713 -3.934 11.507 1.00 60.53 H new ATOM 0 HB2 GLU A 100 4.560 -5.345 12.245 1.00 22.32 H new ATOM 0 HB3 GLU A 100 5.592 -4.734 10.966 1.00 22.32 H new ATOM 0 HG2 GLU A 100 5.537 -2.482 11.973 1.00 3.23 H new ATOM 0 HG3 GLU A 100 4.459 -3.055 13.231 1.00 3.23 H new ATOM 1477 N VAL A 101 2.978 -1.833 10.196 1.00 14.43 N ATOM 1478 CA VAL A 101 3.124 -0.607 9.454 1.00 41.34 C ATOM 1479 C VAL A 101 3.372 0.527 10.430 1.00 43.44 C ATOM 1480 O VAL A 101 2.547 0.791 11.317 1.00 72.31 O ATOM 1481 CB VAL A 101 1.861 -0.303 8.601 1.00 55.33 C ATOM 1482 CG1 VAL A 101 2.033 0.975 7.782 1.00 14.11 C ATOM 1483 CG2 VAL A 101 1.509 -1.479 7.691 1.00 1.30 C ATOM 0 H VAL A 101 2.202 -1.841 10.859 1.00 14.43 H new ATOM 0 HA VAL A 101 3.966 -0.710 8.770 1.00 41.34 H new ATOM 0 HB VAL A 101 1.034 -0.150 9.294 1.00 55.33 H new ATOM 0 HG11 VAL A 101 1.131 1.157 7.198 1.00 14.11 H new ATOM 0 HG12 VAL A 101 2.207 1.816 8.453 1.00 14.11 H new ATOM 0 HG13 VAL A 101 2.884 0.865 7.110 1.00 14.11 H new ATOM 0 HG21 VAL A 101 0.621 -1.235 7.108 1.00 1.30 H new ATOM 0 HG22 VAL A 101 2.342 -1.680 7.017 1.00 1.30 H new ATOM 0 HG23 VAL A 101 1.312 -2.363 8.298 1.00 1.30 H new ATOM 1493 N VAL A 102 4.495 1.172 10.299 1.00 13.00 N ATOM 1494 CA VAL A 102 4.833 2.255 11.187 1.00 25.20 C ATOM 1495 C VAL A 102 4.824 3.586 10.460 1.00 31.21 C ATOM 1496 O VAL A 102 5.381 3.726 9.360 1.00 45.12 O ATOM 1497 CB VAL A 102 6.176 2.036 11.954 1.00 71.03 C ATOM 1498 CG1 VAL A 102 6.062 0.860 12.916 1.00 25.03 C ATOM 1499 CG2 VAL A 102 7.339 1.813 10.998 1.00 21.24 C ATOM 0 H VAL A 102 5.196 0.969 9.586 1.00 13.00 H new ATOM 0 HA VAL A 102 4.053 2.273 11.948 1.00 25.20 H new ATOM 0 HB VAL A 102 6.375 2.944 12.523 1.00 71.03 H new ATOM 0 HG11 VAL A 102 7.008 0.725 13.440 1.00 25.03 H new ATOM 0 HG12 VAL A 102 5.272 1.058 13.640 1.00 25.03 H new ATOM 0 HG13 VAL A 102 5.824 -0.045 12.357 1.00 25.03 H new ATOM 0 HG21 VAL A 102 8.256 1.665 11.569 1.00 21.24 H new ATOM 0 HG22 VAL A 102 7.144 0.931 10.388 1.00 21.24 H new ATOM 0 HG23 VAL A 102 7.451 2.684 10.352 1.00 21.24 H new ATOM 1509 N ASP A 103 4.171 4.538 11.059 1.00 74.05 N ATOM 1510 CA ASP A 103 4.048 5.872 10.515 1.00 2.13 C ATOM 1511 C ASP A 103 5.169 6.727 11.028 1.00 5.12 C ATOM 1512 O ASP A 103 5.273 6.988 12.229 1.00 73.32 O ATOM 1513 CB ASP A 103 2.703 6.480 10.906 1.00 21.03 C ATOM 1514 CG ASP A 103 2.570 7.947 10.546 1.00 53.45 C ATOM 1515 OD1 ASP A 103 2.358 8.262 9.373 1.00 35.30 O ATOM 1516 OD2 ASP A 103 2.645 8.800 11.460 1.00 14.23 O ATOM 0 H ASP A 103 3.699 4.414 11.954 1.00 74.05 H new ATOM 0 HA ASP A 103 4.102 5.821 9.428 1.00 2.13 H new ATOM 0 HB2 ASP A 103 1.905 5.921 10.416 1.00 21.03 H new ATOM 0 HB3 ASP A 103 2.560 6.364 11.980 1.00 21.03 H new ATOM 1521 N VAL A 104 6.028 7.121 10.149 1.00 74.03 N ATOM 1522 CA VAL A 104 7.151 7.946 10.508 1.00 24.02 C ATOM 1523 C VAL A 104 7.025 9.311 9.847 1.00 14.21 C ATOM 1524 O VAL A 104 7.945 10.134 9.887 1.00 14.41 O ATOM 1525 CB VAL A 104 8.520 7.271 10.171 1.00 51.52 C ATOM 1526 CG1 VAL A 104 8.750 6.056 11.063 1.00 52.00 C ATOM 1527 CG2 VAL A 104 8.589 6.850 8.711 1.00 41.44 C ATOM 0 H VAL A 104 5.979 6.884 9.158 1.00 74.03 H new ATOM 0 HA VAL A 104 7.136 8.076 11.590 1.00 24.02 H new ATOM 0 HB VAL A 104 9.301 8.009 10.354 1.00 51.52 H new ATOM 0 HG11 VAL A 104 9.708 5.598 10.815 1.00 52.00 H new ATOM 0 HG12 VAL A 104 8.757 6.368 12.108 1.00 52.00 H new ATOM 0 HG13 VAL A 104 7.950 5.332 10.905 1.00 52.00 H new ATOM 0 HG21 VAL A 104 9.554 6.384 8.512 1.00 41.44 H new ATOM 0 HG22 VAL A 104 7.792 6.137 8.500 1.00 41.44 H new ATOM 0 HG23 VAL A 104 8.470 7.726 8.074 1.00 41.44 H new ATOM 1537 N GLY A 105 5.865 9.545 9.271 1.00 23.13 N ATOM 1538 CA GLY A 105 5.570 10.782 8.614 1.00 44.40 C ATOM 1539 C GLY A 105 4.283 11.357 9.135 1.00 25.50 C ATOM 1540 O GLY A 105 3.382 11.716 8.358 1.00 45.34 O ATOM 0 H GLY A 105 5.100 8.871 9.250 1.00 23.13 H new ATOM 0 HA2 GLY A 105 6.383 11.490 8.775 1.00 44.40 H new ATOM 0 HA3 GLY A 105 5.495 10.621 7.539 1.00 44.40 H new ATOM 1544 N SER A 106 4.219 11.490 10.459 1.00 41.42 N ATOM 1545 CA SER A 106 3.042 11.978 11.188 1.00 23.20 C ATOM 1546 C SER A 106 2.646 13.428 10.802 1.00 2.02 C ATOM 1547 O SER A 106 1.604 13.928 11.230 1.00 75.35 O ATOM 1548 CB SER A 106 3.307 11.866 12.688 1.00 73.21 C ATOM 1549 OG SER A 106 3.747 10.541 13.021 1.00 3.52 O ATOM 0 H SER A 106 5.000 11.257 11.072 1.00 41.42 H new ATOM 0 HA SER A 106 2.193 11.355 10.909 1.00 23.20 H new ATOM 0 HB2 SER A 106 4.063 12.593 12.985 1.00 73.21 H new ATOM 0 HB3 SER A 106 2.400 12.105 13.243 1.00 73.21 H new ATOM 0 HG SER A 106 3.520 9.928 12.291 1.00 3.52 H new ATOM 1555 N LEU A 107 3.491 14.083 10.004 1.00 30.43 N ATOM 1556 CA LEU A 107 3.217 15.400 9.447 1.00 13.14 C ATOM 1557 C LEU A 107 1.938 15.311 8.644 1.00 22.02 C ATOM 1558 O LEU A 107 1.040 16.158 8.746 1.00 12.12 O ATOM 1559 CB LEU A 107 4.369 15.787 8.513 1.00 33.03 C ATOM 1560 CG LEU A 107 4.245 17.132 7.786 1.00 32.55 C ATOM 1561 CD1 LEU A 107 4.209 18.289 8.766 1.00 72.51 C ATOM 1562 CD2 LEU A 107 5.373 17.307 6.784 1.00 21.23 C ATOM 0 H LEU A 107 4.396 13.705 9.725 1.00 30.43 H new ATOM 0 HA LEU A 107 3.118 16.143 10.239 1.00 13.14 H new ATOM 0 HB2 LEU A 107 5.290 15.799 9.096 1.00 33.03 H new ATOM 0 HB3 LEU A 107 4.477 15.004 7.763 1.00 33.03 H new ATOM 0 HG LEU A 107 3.300 17.131 7.242 1.00 32.55 H new ATOM 0 HD11 LEU A 107 4.121 19.227 8.218 1.00 72.51 H new ATOM 0 HD12 LEU A 107 3.353 18.176 9.432 1.00 72.51 H new ATOM 0 HD13 LEU A 107 5.127 18.297 9.353 1.00 72.51 H new ATOM 0 HD21 LEU A 107 5.266 18.267 6.280 1.00 21.23 H new ATOM 0 HD22 LEU A 107 6.330 17.275 7.304 1.00 21.23 H new ATOM 0 HD23 LEU A 107 5.334 16.504 6.048 1.00 21.23 H new ATOM 1574 N ASN A 108 1.858 14.265 7.869 1.00 44.03 N ATOM 1575 CA ASN A 108 0.685 13.983 7.111 1.00 21.53 C ATOM 1576 C ASN A 108 -0.088 12.947 7.891 1.00 64.43 C ATOM 1577 O ASN A 108 -1.243 13.164 8.268 1.00 31.03 O ATOM 1578 CB ASN A 108 1.054 13.416 5.752 1.00 53.24 C ATOM 1579 CG ASN A 108 -0.126 13.329 4.793 1.00 33.02 C ATOM 1580 OD1 ASN A 108 -1.270 13.239 5.192 1.00 62.43 O ATOM 1581 ND2 ASN A 108 0.164 13.335 3.526 1.00 13.14 N ATOM 0 H ASN A 108 2.610 13.586 7.749 1.00 44.03 H new ATOM 0 HA ASN A 108 0.102 14.890 6.950 1.00 21.53 H new ATOM 0 HB2 ASN A 108 1.830 14.037 5.306 1.00 53.24 H new ATOM 0 HB3 ASN A 108 1.479 12.421 5.885 1.00 53.24 H new ATOM 0 HD21 ASN A 108 -0.580 13.263 2.832 1.00 13.14 H new ATOM 0 HD22 ASN A 108 1.136 13.412 3.226 1.00 13.14 H new ATOM 1588 N GLY A 109 0.600 11.871 8.225 1.00 23.25 N ATOM 1589 CA GLY A 109 -0.007 10.797 8.952 1.00 21.23 C ATOM 1590 C GLY A 109 -0.513 9.697 8.052 1.00 4.34 C ATOM 1591 O GLY A 109 -1.080 9.954 6.979 1.00 62.51 O ATOM 0 H GLY A 109 1.584 11.727 7.998 1.00 23.25 H new ATOM 0 HA2 GLY A 109 0.718 10.383 9.653 1.00 21.23 H new ATOM 0 HA3 GLY A 109 -0.835 11.187 9.544 1.00 21.23 H new ATOM 1595 N THR A 110 -0.248 8.498 8.439 1.00 22.23 N ATOM 1596 CA THR A 110 -0.764 7.347 7.774 1.00 42.31 C ATOM 1597 C THR A 110 -2.086 6.952 8.453 1.00 4.22 C ATOM 1598 O THR A 110 -2.142 6.752 9.687 1.00 14.33 O ATOM 1599 CB THR A 110 0.251 6.190 7.859 1.00 23.12 C ATOM 1600 OG1 THR A 110 1.532 6.665 7.403 1.00 51.04 O ATOM 1601 CG2 THR A 110 -0.184 5.018 6.984 1.00 64.44 C ATOM 0 H THR A 110 0.344 8.283 9.241 1.00 22.23 H new ATOM 0 HA THR A 110 -0.940 7.566 6.721 1.00 42.31 H new ATOM 0 HB THR A 110 0.310 5.849 8.892 1.00 23.12 H new ATOM 0 HG1 THR A 110 1.971 7.164 8.123 1.00 51.04 H new ATOM 0 HG21 THR A 110 0.549 4.215 7.061 1.00 64.44 H new ATOM 0 HG22 THR A 110 -1.156 4.656 7.318 1.00 64.44 H new ATOM 0 HG23 THR A 110 -0.256 5.345 5.947 1.00 64.44 H new ATOM 1609 N TYR A 111 -3.142 6.880 7.684 1.00 3.53 N ATOM 1610 CA TYR A 111 -4.429 6.564 8.232 1.00 42.43 C ATOM 1611 C TYR A 111 -4.777 5.127 7.951 1.00 33.42 C ATOM 1612 O TYR A 111 -4.646 4.652 6.823 1.00 34.32 O ATOM 1613 CB TYR A 111 -5.521 7.461 7.611 1.00 12.43 C ATOM 1614 CG TYR A 111 -5.414 8.943 7.916 1.00 52.34 C ATOM 1615 CD1 TYR A 111 -4.426 9.733 7.338 1.00 41.23 C ATOM 1616 CD2 TYR A 111 -6.319 9.551 8.769 1.00 42.01 C ATOM 1617 CE1 TYR A 111 -4.346 11.082 7.610 1.00 51.04 C ATOM 1618 CE2 TYR A 111 -6.244 10.901 9.046 1.00 70.12 C ATOM 1619 CZ TYR A 111 -5.256 11.661 8.466 1.00 40.32 C ATOM 1620 OH TYR A 111 -5.179 13.006 8.740 1.00 74.20 O ATOM 0 H TYR A 111 -3.133 7.037 6.676 1.00 3.53 H new ATOM 0 HA TYR A 111 -4.383 6.734 9.308 1.00 42.43 H new ATOM 0 HB2 TYR A 111 -5.500 7.330 6.529 1.00 12.43 H new ATOM 0 HB3 TYR A 111 -6.493 7.108 7.956 1.00 12.43 H new ATOM 0 HD1 TYR A 111 -3.711 9.283 6.666 1.00 41.23 H new ATOM 0 HD2 TYR A 111 -7.098 8.958 9.226 1.00 42.01 H new ATOM 0 HE1 TYR A 111 -3.573 11.682 7.154 1.00 51.04 H new ATOM 0 HE2 TYR A 111 -6.958 11.358 9.715 1.00 70.12 H new ATOM 0 HH TYR A 111 -5.895 13.255 9.361 1.00 74.20 H new ATOM 1630 N VAL A 112 -5.245 4.460 8.949 1.00 23.32 N ATOM 1631 CA VAL A 112 -5.739 3.135 8.802 1.00 75.43 C ATOM 1632 C VAL A 112 -7.246 3.228 8.868 1.00 15.13 C ATOM 1633 O VAL A 112 -7.814 3.691 9.873 1.00 0.13 O ATOM 1634 CB VAL A 112 -5.142 2.136 9.850 1.00 40.24 C ATOM 1635 CG1 VAL A 112 -5.321 2.623 11.275 1.00 13.52 C ATOM 1636 CG2 VAL A 112 -5.744 0.751 9.678 1.00 41.31 C ATOM 0 H VAL A 112 -5.296 4.823 9.901 1.00 23.32 H new ATOM 0 HA VAL A 112 -5.424 2.718 7.845 1.00 75.43 H new ATOM 0 HB VAL A 112 -4.070 2.079 9.662 1.00 40.24 H new ATOM 0 HG11 VAL A 112 -4.891 1.896 11.965 1.00 13.52 H new ATOM 0 HG12 VAL A 112 -4.817 3.582 11.398 1.00 13.52 H new ATOM 0 HG13 VAL A 112 -6.383 2.741 11.488 1.00 13.52 H new ATOM 0 HG21 VAL A 112 -5.315 0.074 10.416 1.00 41.31 H new ATOM 0 HG22 VAL A 112 -6.824 0.804 9.818 1.00 41.31 H new ATOM 0 HG23 VAL A 112 -5.526 0.381 8.676 1.00 41.31 H new ATOM 1646 N ASN A 113 -7.875 2.882 7.765 1.00 41.13 N ATOM 1647 CA ASN A 113 -9.314 3.026 7.546 1.00 1.04 C ATOM 1648 C ASN A 113 -9.714 4.490 7.543 1.00 24.14 C ATOM 1649 O ASN A 113 -9.883 5.103 6.486 1.00 52.33 O ATOM 1650 CB ASN A 113 -10.186 2.272 8.570 1.00 72.54 C ATOM 1651 CG ASN A 113 -10.013 0.774 8.600 1.00 73.33 C ATOM 1652 OD1 ASN A 113 -10.234 0.153 9.631 1.00 23.20 O ATOM 1653 ND2 ASN A 113 -9.641 0.182 7.504 1.00 53.01 N ATOM 0 H ASN A 113 -7.390 2.478 6.964 1.00 41.13 H new ATOM 0 HA ASN A 113 -9.500 2.573 6.572 1.00 1.04 H new ATOM 0 HB2 ASN A 113 -9.968 2.664 9.563 1.00 72.54 H new ATOM 0 HB3 ASN A 113 -11.233 2.494 8.362 1.00 72.54 H new ATOM 0 HD21 ASN A 113 -9.525 -0.831 7.486 1.00 53.01 H new ATOM 0 HD22 ASN A 113 -9.465 0.731 6.662 1.00 53.01 H new ATOM 1660 N ARG A 114 -9.816 5.054 8.730 1.00 11.43 N ATOM 1661 CA ARG A 114 -10.264 6.416 8.937 1.00 34.41 C ATOM 1662 C ARG A 114 -9.438 7.089 10.034 1.00 53.22 C ATOM 1663 O ARG A 114 -9.624 8.276 10.308 1.00 2.30 O ATOM 1664 CB ARG A 114 -11.716 6.398 9.425 1.00 31.11 C ATOM 1665 CG ARG A 114 -12.720 5.736 8.502 1.00 14.13 C ATOM 1666 CD ARG A 114 -14.043 5.546 9.217 1.00 52.44 C ATOM 1667 NE ARG A 114 -13.903 4.634 10.367 1.00 54.13 N ATOM 1668 CZ ARG A 114 -14.760 4.530 11.391 1.00 50.41 C ATOM 1669 NH1 ARG A 114 -15.804 5.349 11.487 1.00 63.14 N ATOM 1670 NH2 ARG A 114 -14.549 3.617 12.339 1.00 10.23 N ATOM 0 H ARG A 114 -9.585 4.567 9.596 1.00 11.43 H new ATOM 0 HA ARG A 114 -10.160 6.956 7.996 1.00 34.41 H new ATOM 0 HB2 ARG A 114 -11.748 5.890 10.389 1.00 31.11 H new ATOM 0 HB3 ARG A 114 -12.033 7.427 9.597 1.00 31.11 H new ATOM 0 HG2 ARG A 114 -12.864 6.347 7.611 1.00 14.13 H new ATOM 0 HG3 ARG A 114 -12.337 4.772 8.168 1.00 14.13 H new ATOM 0 HD2 ARG A 114 -14.416 6.511 9.559 1.00 52.44 H new ATOM 0 HD3 ARG A 114 -14.781 5.147 8.521 1.00 52.44 H new ATOM 0 HE ARG A 114 -13.082 4.029 10.384 1.00 54.13 H new ATOM 0 HH11 ARG A 114 -15.958 6.065 10.777 1.00 63.14 H new ATOM 0 HH12 ARG A 114 -16.451 5.261 12.271 1.00 63.14 H new ATOM 0 HH21 ARG A 114 -13.738 3.001 12.283 1.00 10.23 H new ATOM 0 HH22 ARG A 114 -15.199 3.534 13.121 1.00 10.23 H new ATOM 1684 N GLU A 115 -8.535 6.347 10.659 1.00 65.31 N ATOM 1685 CA GLU A 115 -7.855 6.847 11.850 1.00 75.44 C ATOM 1686 C GLU A 115 -6.340 6.961 11.633 1.00 65.44 C ATOM 1687 O GLU A 115 -5.709 6.020 11.156 1.00 53.31 O ATOM 1688 CB GLU A 115 -8.141 5.898 13.018 1.00 5.25 C ATOM 1689 CG GLU A 115 -9.624 5.579 13.204 1.00 35.34 C ATOM 1690 CD GLU A 115 -9.886 4.661 14.368 1.00 41.24 C ATOM 1691 OE1 GLU A 115 -9.156 3.671 14.541 1.00 12.52 O ATOM 1692 OE2 GLU A 115 -10.802 4.938 15.159 1.00 54.31 O ATOM 0 H GLU A 115 -8.257 5.409 10.368 1.00 65.31 H new ATOM 0 HA GLU A 115 -8.232 7.846 12.069 1.00 75.44 H new ATOM 0 HB2 GLU A 115 -7.596 4.968 12.860 1.00 5.25 H new ATOM 0 HB3 GLU A 115 -7.756 6.341 13.937 1.00 5.25 H new ATOM 0 HG2 GLU A 115 -10.174 6.508 13.350 1.00 35.34 H new ATOM 0 HG3 GLU A 115 -10.009 5.121 12.293 1.00 35.34 H new ATOM 1699 N PRO A 116 -5.741 8.113 11.962 1.00 20.30 N ATOM 1700 CA PRO A 116 -4.299 8.308 11.839 1.00 65.01 C ATOM 1701 C PRO A 116 -3.554 7.675 13.019 1.00 74.34 C ATOM 1702 O PRO A 116 -3.751 8.055 14.173 1.00 71.44 O ATOM 1703 CB PRO A 116 -4.143 9.831 11.851 1.00 52.22 C ATOM 1704 CG PRO A 116 -5.320 10.345 12.624 1.00 40.20 C ATOM 1705 CD PRO A 116 -6.424 9.320 12.486 1.00 12.21 C ATOM 0 HA PRO A 116 -3.885 7.843 10.944 1.00 65.01 H new ATOM 0 HB2 PRO A 116 -3.205 10.126 12.321 1.00 52.22 H new ATOM 0 HB3 PRO A 116 -4.132 10.233 10.838 1.00 52.22 H new ATOM 0 HG2 PRO A 116 -5.059 10.491 13.672 1.00 40.20 H new ATOM 0 HG3 PRO A 116 -5.642 11.312 12.238 1.00 40.20 H new ATOM 0 HD2 PRO A 116 -6.904 9.121 13.444 1.00 12.21 H new ATOM 0 HD3 PRO A 116 -7.203 9.663 11.805 1.00 12.21 H new ATOM 1713 N ARG A 117 -2.724 6.702 12.747 1.00 73.30 N ATOM 1714 CA ARG A 117 -2.013 6.017 13.811 1.00 11.32 C ATOM 1715 C ARG A 117 -0.538 6.194 13.633 1.00 33.41 C ATOM 1716 O ARG A 117 -0.078 6.405 12.522 1.00 63.25 O ATOM 1717 CB ARG A 117 -2.371 4.524 13.858 1.00 40.20 C ATOM 1718 CG ARG A 117 -3.844 4.247 14.105 1.00 30.12 C ATOM 1719 CD ARG A 117 -4.319 4.864 15.403 1.00 75.02 C ATOM 1720 NE ARG A 117 -5.746 4.656 15.611 1.00 61.12 N ATOM 1721 CZ ARG A 117 -6.482 5.289 16.524 1.00 54.43 C ATOM 1722 NH1 ARG A 117 -5.923 6.188 17.330 1.00 24.05 N ATOM 1723 NH2 ARG A 117 -7.779 5.029 16.620 1.00 42.23 N ATOM 0 H ARG A 117 -2.520 6.363 11.807 1.00 73.30 H new ATOM 0 HA ARG A 117 -2.317 6.458 14.760 1.00 11.32 H new ATOM 0 HB2 ARG A 117 -2.078 4.061 12.915 1.00 40.20 H new ATOM 0 HB3 ARG A 117 -1.786 4.046 14.643 1.00 40.20 H new ATOM 0 HG2 ARG A 117 -4.433 4.642 13.277 1.00 30.12 H new ATOM 0 HG3 ARG A 117 -4.013 3.170 14.130 1.00 30.12 H new ATOM 0 HD2 ARG A 117 -3.764 4.432 16.235 1.00 75.02 H new ATOM 0 HD3 ARG A 117 -4.105 5.933 15.397 1.00 75.02 H new ATOM 0 HE ARG A 117 -6.216 3.976 15.014 1.00 61.12 H new ATOM 0 HH11 ARG A 117 -4.927 6.395 17.250 1.00 24.05 H new ATOM 0 HH12 ARG A 117 -6.490 6.670 18.027 1.00 24.05 H new ATOM 0 HH21 ARG A 117 -8.210 4.347 15.996 1.00 42.23 H new ATOM 0 HH22 ARG A 117 -8.346 5.511 17.318 1.00 42.23 H new ATOM 1737 N ASN A 118 0.196 6.119 14.720 1.00 12.13 N ATOM 1738 CA ASN A 118 1.647 6.277 14.680 1.00 33.22 C ATOM 1739 C ASN A 118 2.289 4.930 14.336 1.00 43.44 C ATOM 1740 O ASN A 118 3.401 4.858 13.802 1.00 74.32 O ATOM 1741 CB ASN A 118 2.163 6.788 16.029 1.00 65.23 C ATOM 1742 CG ASN A 118 3.646 7.136 16.043 1.00 51.11 C ATOM 1743 OD1 ASN A 118 4.315 6.934 17.044 1.00 13.14 O ATOM 1744 ND2 ASN A 118 4.159 7.690 14.969 1.00 22.32 N ATOM 0 H ASN A 118 -0.183 5.949 15.652 1.00 12.13 H new ATOM 0 HA ASN A 118 1.913 7.008 13.916 1.00 33.22 H new ATOM 0 HB2 ASN A 118 1.592 7.672 16.312 1.00 65.23 H new ATOM 0 HB3 ASN A 118 1.973 6.029 16.788 1.00 65.23 H new ATOM 0 HD21 ASN A 118 5.141 7.964 14.956 1.00 22.32 H new ATOM 0 HD22 ASN A 118 3.575 7.846 14.147 1.00 22.32 H new ATOM 1751 N ALA A 119 1.580 3.873 14.652 1.00 41.52 N ATOM 1752 CA ALA A 119 1.974 2.526 14.314 1.00 33.22 C ATOM 1753 C ALA A 119 0.736 1.678 14.319 1.00 12.21 C ATOM 1754 O ALA A 119 -0.143 1.883 15.160 1.00 4.34 O ATOM 1755 CB ALA A 119 2.981 1.990 15.327 1.00 20.41 C ATOM 0 H ALA A 119 0.697 3.926 15.160 1.00 41.52 H new ATOM 0 HA ALA A 119 2.450 2.508 13.334 1.00 33.22 H new ATOM 0 HB1 ALA A 119 3.265 0.974 15.055 1.00 20.41 H new ATOM 0 HB2 ALA A 119 3.866 2.626 15.331 1.00 20.41 H new ATOM 0 HB3 ALA A 119 2.532 1.987 16.320 1.00 20.41 H new ATOM 1761 N GLN A 120 0.620 0.793 13.368 1.00 73.03 N ATOM 1762 CA GLN A 120 -0.509 -0.085 13.316 1.00 54.33 C ATOM 1763 C GLN A 120 -0.091 -1.485 12.892 1.00 52.13 C ATOM 1764 O GLN A 120 0.875 -1.662 12.134 1.00 40.05 O ATOM 1765 CB GLN A 120 -1.625 0.468 12.404 1.00 32.44 C ATOM 1766 CG GLN A 120 -2.907 -0.365 12.429 1.00 60.20 C ATOM 1767 CD GLN A 120 -3.462 -0.521 13.839 1.00 23.23 C ATOM 1768 OE1 GLN A 120 -3.117 -1.449 14.562 1.00 64.32 O ATOM 1769 NE2 GLN A 120 -4.290 0.368 14.228 1.00 62.35 N ATOM 0 H GLN A 120 1.298 0.663 12.617 1.00 73.03 H new ATOM 0 HA GLN A 120 -0.921 -0.147 14.323 1.00 54.33 H new ATOM 0 HB2 GLN A 120 -1.859 1.488 12.708 1.00 32.44 H new ATOM 0 HB3 GLN A 120 -1.254 0.518 11.380 1.00 32.44 H new ATOM 0 HG2 GLN A 120 -3.658 0.107 11.795 1.00 60.20 H new ATOM 0 HG3 GLN A 120 -2.707 -1.350 12.008 1.00 60.20 H new ATOM 0 HE21 GLN A 120 -4.556 1.127 13.601 1.00 62.35 H new ATOM 0 HE22 GLN A 120 -4.686 0.320 15.167 1.00 62.35 H new ATOM 1778 N VAL A 121 -0.807 -2.458 13.379 1.00 44.20 N ATOM 1779 CA VAL A 121 -0.597 -3.833 13.001 1.00 23.45 C ATOM 1780 C VAL A 121 -1.736 -4.167 12.059 1.00 14.44 C ATOM 1781 O VAL A 121 -2.889 -4.298 12.481 1.00 32.45 O ATOM 1782 CB VAL A 121 -0.619 -4.796 14.223 1.00 2.40 C ATOM 1783 CG1 VAL A 121 -0.282 -6.216 13.795 1.00 72.22 C ATOM 1784 CG2 VAL A 121 0.348 -4.330 15.303 1.00 34.02 C ATOM 0 H VAL A 121 -1.559 -2.322 14.055 1.00 44.20 H new ATOM 0 HA VAL A 121 0.384 -3.956 12.542 1.00 23.45 H new ATOM 0 HB VAL A 121 -1.627 -4.786 14.637 1.00 2.40 H new ATOM 0 HG11 VAL A 121 -0.303 -6.873 14.665 1.00 72.22 H new ATOM 0 HG12 VAL A 121 -1.014 -6.559 13.064 1.00 72.22 H new ATOM 0 HG13 VAL A 121 0.713 -6.235 13.350 1.00 72.22 H new ATOM 0 HG21 VAL A 121 0.313 -5.021 16.146 1.00 34.02 H new ATOM 0 HG22 VAL A 121 1.360 -4.303 14.898 1.00 34.02 H new ATOM 0 HG23 VAL A 121 0.065 -3.333 15.639 1.00 34.02 H new ATOM 1794 N MET A 122 -1.439 -4.240 10.793 1.00 24.23 N ATOM 1795 CA MET A 122 -2.480 -4.371 9.809 1.00 54.42 C ATOM 1796 C MET A 122 -2.617 -5.753 9.270 1.00 13.02 C ATOM 1797 O MET A 122 -1.651 -6.522 9.186 1.00 4.14 O ATOM 1798 CB MET A 122 -2.353 -3.367 8.673 1.00 42.24 C ATOM 1799 CG MET A 122 -2.552 -1.927 9.102 1.00 23.11 C ATOM 1800 SD MET A 122 -2.782 -0.817 7.709 1.00 31.24 S ATOM 1801 CE MET A 122 -4.307 -1.499 7.026 1.00 64.33 C ATOM 0 H MET A 122 -0.491 -4.211 10.417 1.00 24.23 H new ATOM 0 HA MET A 122 -3.397 -4.144 10.353 1.00 54.42 H new ATOM 0 HB2 MET A 122 -1.367 -3.468 8.220 1.00 42.24 H new ATOM 0 HB3 MET A 122 -3.084 -3.611 7.902 1.00 42.24 H new ATOM 0 HG2 MET A 122 -3.419 -1.864 9.759 1.00 23.11 H new ATOM 0 HG3 MET A 122 -1.688 -1.602 9.682 1.00 23.11 H new ATOM 0 HE1 MET A 122 -4.964 -0.685 6.718 1.00 64.33 H new ATOM 0 HE2 MET A 122 -4.072 -2.122 6.163 1.00 64.33 H new ATOM 0 HE3 MET A 122 -4.807 -2.102 7.784 1.00 64.33 H new ATOM 1811 N GLN A 123 -3.815 -6.045 8.880 1.00 72.41 N ATOM 1812 CA GLN A 123 -4.182 -7.319 8.377 1.00 30.14 C ATOM 1813 C GLN A 123 -4.553 -7.164 6.916 1.00 15.12 C ATOM 1814 O GLN A 123 -4.957 -6.082 6.480 1.00 4.20 O ATOM 1815 CB GLN A 123 -5.340 -7.876 9.194 1.00 12.41 C ATOM 1816 CG GLN A 123 -5.526 -9.375 9.059 1.00 42.53 C ATOM 1817 CD GLN A 123 -6.494 -9.928 10.077 1.00 43.25 C ATOM 1818 OE1 GLN A 123 -7.693 -10.034 9.828 1.00 35.30 O ATOM 1819 NE2 GLN A 123 -5.993 -10.232 11.239 1.00 5.31 N ATOM 0 H GLN A 123 -4.587 -5.378 8.906 1.00 72.41 H new ATOM 0 HA GLN A 123 -3.354 -8.023 8.458 1.00 30.14 H new ATOM 0 HB2 GLN A 123 -5.180 -7.633 10.244 1.00 12.41 H new ATOM 0 HB3 GLN A 123 -6.260 -7.377 8.888 1.00 12.41 H new ATOM 0 HG2 GLN A 123 -5.886 -9.605 8.056 1.00 42.53 H new ATOM 0 HG3 GLN A 123 -4.561 -9.870 9.172 1.00 42.53 H new ATOM 0 HE21 GLN A 123 -4.992 -10.130 11.405 1.00 5.31 H new ATOM 0 HE22 GLN A 123 -6.601 -10.573 11.983 1.00 5.31 H new ATOM 1828 N THR A 124 -4.400 -8.204 6.167 1.00 13.33 N ATOM 1829 CA THR A 124 -4.641 -8.167 4.771 1.00 31.54 C ATOM 1830 C THR A 124 -6.143 -8.213 4.454 1.00 21.13 C ATOM 1831 O THR A 124 -6.893 -9.048 4.984 1.00 33.51 O ATOM 1832 CB THR A 124 -3.888 -9.328 4.133 1.00 41.34 C ATOM 1833 OG1 THR A 124 -3.949 -10.470 5.016 1.00 21.15 O ATOM 1834 CG2 THR A 124 -2.441 -8.954 3.900 1.00 15.55 C ATOM 0 H THR A 124 -4.100 -9.114 6.516 1.00 13.33 H new ATOM 0 HA THR A 124 -4.280 -7.226 4.357 1.00 31.54 H new ATOM 0 HB THR A 124 -4.348 -9.567 3.174 1.00 41.34 H new ATOM 0 HG1 THR A 124 -3.468 -11.222 4.612 1.00 21.15 H new ATOM 0 HG21 THR A 124 -1.917 -9.794 3.444 1.00 15.55 H new ATOM 0 HG22 THR A 124 -2.391 -8.091 3.236 1.00 15.55 H new ATOM 0 HG23 THR A 124 -1.971 -8.707 4.852 1.00 15.55 H new ATOM 1842 N GLY A 125 -6.573 -7.278 3.628 1.00 1.21 N ATOM 1843 CA GLY A 125 -7.964 -7.141 3.272 1.00 34.41 C ATOM 1844 C GLY A 125 -8.538 -5.862 3.851 1.00 10.52 C ATOM 1845 O GLY A 125 -9.743 -5.623 3.787 1.00 12.40 O ATOM 0 H GLY A 125 -5.961 -6.592 3.186 1.00 1.21 H new ATOM 0 HA2 GLY A 125 -8.069 -7.135 2.187 1.00 34.41 H new ATOM 0 HA3 GLY A 125 -8.526 -7.999 3.642 1.00 34.41 H new ATOM 1849 N ASP A 126 -7.666 -5.033 4.402 1.00 61.10 N ATOM 1850 CA ASP A 126 -8.084 -3.806 5.080 1.00 42.50 C ATOM 1851 C ASP A 126 -7.677 -2.552 4.261 1.00 51.30 C ATOM 1852 O ASP A 126 -6.888 -2.653 3.302 1.00 55.35 O ATOM 1853 CB ASP A 126 -7.501 -3.788 6.506 1.00 33.14 C ATOM 1854 CG ASP A 126 -8.087 -2.719 7.398 1.00 13.20 C ATOM 1855 OD1 ASP A 126 -9.314 -2.457 7.310 1.00 62.13 O ATOM 1856 OD2 ASP A 126 -7.357 -2.136 8.205 1.00 45.11 O ATOM 0 H ASP A 126 -6.657 -5.185 4.395 1.00 61.10 H new ATOM 0 HA ASP A 126 -9.171 -3.784 5.157 1.00 42.50 H new ATOM 0 HB2 ASP A 126 -7.666 -4.762 6.967 1.00 33.14 H new ATOM 0 HB3 ASP A 126 -6.422 -3.644 6.444 1.00 33.14 H new ATOM 1861 N GLU A 127 -8.184 -1.389 4.651 1.00 52.15 N ATOM 1862 CA GLU A 127 -8.023 -0.151 3.882 1.00 22.12 C ATOM 1863 C GLU A 127 -7.063 0.860 4.546 1.00 25.01 C ATOM 1864 O GLU A 127 -7.104 1.075 5.757 1.00 44.44 O ATOM 1865 CB GLU A 127 -9.406 0.467 3.639 1.00 11.34 C ATOM 1866 CG GLU A 127 -9.400 1.805 2.929 1.00 14.41 C ATOM 1867 CD GLU A 127 -10.781 2.246 2.536 1.00 2.53 C ATOM 1868 OE1 GLU A 127 -11.514 2.787 3.376 1.00 62.30 O ATOM 1869 OE2 GLU A 127 -11.161 2.050 1.364 1.00 63.52 O ATOM 0 H GLU A 127 -8.720 -1.272 5.511 1.00 52.15 H new ATOM 0 HA GLU A 127 -7.557 -0.406 2.930 1.00 22.12 H new ATOM 0 HB2 GLU A 127 -10.001 -0.234 3.054 1.00 11.34 H new ATOM 0 HB3 GLU A 127 -9.907 0.586 4.600 1.00 11.34 H new ATOM 0 HG2 GLU A 127 -8.952 2.557 3.578 1.00 14.41 H new ATOM 0 HG3 GLU A 127 -8.775 1.739 2.039 1.00 14.41 H new ATOM 1876 N ILE A 128 -6.246 1.511 3.723 1.00 3.32 N ATOM 1877 CA ILE A 128 -5.218 2.454 4.155 1.00 33.52 C ATOM 1878 C ILE A 128 -5.413 3.796 3.438 1.00 63.32 C ATOM 1879 O ILE A 128 -5.611 3.830 2.229 1.00 33.10 O ATOM 1880 CB ILE A 128 -3.792 1.941 3.782 1.00 74.15 C ATOM 1881 CG1 ILE A 128 -3.557 0.538 4.329 1.00 53.21 C ATOM 1882 CG2 ILE A 128 -2.714 2.901 4.300 1.00 62.34 C ATOM 1883 CD1 ILE A 128 -2.232 -0.067 3.930 1.00 54.01 C ATOM 0 H ILE A 128 -6.281 1.394 2.710 1.00 3.32 H new ATOM 0 HA ILE A 128 -5.307 2.561 5.236 1.00 33.52 H new ATOM 0 HB ILE A 128 -3.726 1.901 2.695 1.00 74.15 H new ATOM 0 HG12 ILE A 128 -3.617 0.569 5.417 1.00 53.21 H new ATOM 0 HG13 ILE A 128 -4.360 -0.114 3.984 1.00 53.21 H new ATOM 0 HG21 ILE A 128 -1.729 2.523 4.028 1.00 62.34 H new ATOM 0 HG22 ILE A 128 -2.860 3.886 3.856 1.00 62.34 H new ATOM 0 HG23 ILE A 128 -2.786 2.978 5.385 1.00 62.34 H new ATOM 0 HD11 ILE A 128 -2.143 -1.065 4.360 1.00 54.01 H new ATOM 0 HD12 ILE A 128 -2.175 -0.134 2.844 1.00 54.01 H new ATOM 0 HD13 ILE A 128 -1.420 0.560 4.298 1.00 54.01 H new ATOM 1895 N GLN A 129 -5.404 4.876 4.159 1.00 50.03 N ATOM 1896 CA GLN A 129 -5.439 6.174 3.532 1.00 60.43 C ATOM 1897 C GLN A 129 -4.148 6.904 3.784 1.00 31.14 C ATOM 1898 O GLN A 129 -3.718 7.072 4.926 1.00 64.22 O ATOM 1899 CB GLN A 129 -6.645 7.020 3.930 1.00 73.24 C ATOM 1900 CG GLN A 129 -7.955 6.512 3.366 1.00 72.02 C ATOM 1901 CD GLN A 129 -9.096 7.466 3.612 1.00 60.52 C ATOM 1902 OE1 GLN A 129 -9.368 8.361 2.799 1.00 72.14 O ATOM 1903 NE2 GLN A 129 -9.776 7.288 4.707 1.00 71.11 N ATOM 0 H GLN A 129 -5.373 4.891 5.178 1.00 50.03 H new ATOM 0 HA GLN A 129 -5.553 6.001 2.462 1.00 60.43 H new ATOM 0 HB2 GLN A 129 -6.714 7.050 5.017 1.00 73.24 H new ATOM 0 HB3 GLN A 129 -6.487 8.044 3.593 1.00 73.24 H new ATOM 0 HG2 GLN A 129 -7.847 6.349 2.294 1.00 72.02 H new ATOM 0 HG3 GLN A 129 -8.190 5.546 3.814 1.00 72.02 H new ATOM 0 HE21 GLN A 129 -9.520 6.539 5.350 1.00 71.11 H new ATOM 0 HE22 GLN A 129 -10.565 7.897 4.922 1.00 71.11 H new ATOM 1912 N ILE A 130 -3.522 7.303 2.729 1.00 63.33 N ATOM 1913 CA ILE A 130 -2.257 7.967 2.797 1.00 55.31 C ATOM 1914 C ILE A 130 -2.487 9.396 2.445 1.00 63.03 C ATOM 1915 O ILE A 130 -2.660 9.725 1.266 1.00 21.34 O ATOM 1916 CB ILE A 130 -1.251 7.353 1.800 1.00 12.31 C ATOM 1917 CG1 ILE A 130 -1.272 5.834 1.950 1.00 51.14 C ATOM 1918 CG2 ILE A 130 0.155 7.908 2.058 1.00 3.44 C ATOM 1919 CD1 ILE A 130 -0.371 5.087 0.999 1.00 32.51 C ATOM 0 H ILE A 130 -3.876 7.177 1.781 1.00 63.33 H new ATOM 0 HA ILE A 130 -1.840 7.862 3.799 1.00 55.31 H new ATOM 0 HB ILE A 130 -1.532 7.616 0.780 1.00 12.31 H new ATOM 0 HG12 ILE A 130 -0.987 5.581 2.971 1.00 51.14 H new ATOM 0 HG13 ILE A 130 -2.295 5.484 1.808 1.00 51.14 H new ATOM 0 HG21 ILE A 130 0.856 7.468 1.349 1.00 3.44 H new ATOM 0 HG22 ILE A 130 0.147 8.991 1.935 1.00 3.44 H new ATOM 0 HG23 ILE A 130 0.463 7.660 3.074 1.00 3.44 H new ATOM 0 HD11 ILE A 130 -0.456 4.016 1.183 1.00 32.51 H new ATOM 0 HD12 ILE A 130 -0.667 5.303 -0.028 1.00 32.51 H new ATOM 0 HD13 ILE A 130 0.661 5.401 1.153 1.00 32.51 H new ATOM 1931 N GLY A 131 -2.562 10.222 3.460 1.00 4.23 N ATOM 1932 CA GLY A 131 -2.841 11.605 3.259 1.00 14.41 C ATOM 1933 C GLY A 131 -4.261 11.804 2.841 1.00 62.22 C ATOM 1934 O GLY A 131 -5.189 11.766 3.675 1.00 13.23 O ATOM 0 H GLY A 131 -2.432 9.950 4.434 1.00 4.23 H new ATOM 0 HA2 GLY A 131 -2.647 12.157 4.179 1.00 14.41 H new ATOM 0 HA3 GLY A 131 -2.173 12.009 2.498 1.00 14.41 H new ATOM 1938 N LYS A 132 -4.444 11.992 1.579 1.00 5.44 N ATOM 1939 CA LYS A 132 -5.745 12.152 1.016 1.00 70.44 C ATOM 1940 C LYS A 132 -6.077 10.985 0.080 1.00 74.13 C ATOM 1941 O LYS A 132 -7.237 10.784 -0.308 1.00 1.42 O ATOM 1942 CB LYS A 132 -5.816 13.524 0.296 1.00 4.12 C ATOM 1943 CG LYS A 132 -7.115 13.830 -0.459 1.00 14.24 C ATOM 1944 CD LYS A 132 -8.356 13.631 0.403 1.00 31.14 C ATOM 1945 CE LYS A 132 -8.414 14.551 1.604 1.00 61.35 C ATOM 1946 NZ LYS A 132 -9.571 14.215 2.469 1.00 34.34 N ATOM 0 H LYS A 132 -3.686 12.040 0.898 1.00 5.44 H new ATOM 0 HA LYS A 132 -6.498 12.139 1.804 1.00 70.44 H new ATOM 0 HB2 LYS A 132 -5.659 14.308 1.037 1.00 4.12 H new ATOM 0 HB3 LYS A 132 -4.988 13.583 -0.410 1.00 4.12 H new ATOM 0 HG2 LYS A 132 -7.088 14.859 -0.818 1.00 14.24 H new ATOM 0 HG3 LYS A 132 -7.180 13.187 -1.337 1.00 14.24 H new ATOM 0 HD2 LYS A 132 -9.243 13.791 -0.210 1.00 31.14 H new ATOM 0 HD3 LYS A 132 -8.388 12.597 0.746 1.00 31.14 H new ATOM 0 HE2 LYS A 132 -7.490 14.468 2.176 1.00 61.35 H new ATOM 0 HE3 LYS A 132 -8.491 15.586 1.271 1.00 61.35 H new ATOM 0 HZ1 LYS A 132 -9.592 14.858 3.286 1.00 34.34 H new ATOM 0 HZ2 LYS A 132 -10.452 14.317 1.926 1.00 34.34 H new ATOM 0 HZ3 LYS A 132 -9.482 13.234 2.802 1.00 34.34 H new ATOM 1960 N PHE A 133 -5.107 10.164 -0.218 1.00 11.24 N ATOM 1961 CA PHE A 133 -5.320 9.178 -1.233 1.00 43.04 C ATOM 1962 C PHE A 133 -5.531 7.801 -0.658 1.00 74.44 C ATOM 1963 O PHE A 133 -4.898 7.417 0.329 1.00 20.20 O ATOM 1964 CB PHE A 133 -4.240 9.273 -2.290 1.00 54.21 C ATOM 1965 CG PHE A 133 -4.218 10.661 -2.895 1.00 60.33 C ATOM 1966 CD1 PHE A 133 -5.286 11.110 -3.664 1.00 34.34 C ATOM 1967 CD2 PHE A 133 -3.159 11.525 -2.670 1.00 61.03 C ATOM 1968 CE1 PHE A 133 -5.295 12.383 -4.193 1.00 74.44 C ATOM 1969 CE2 PHE A 133 -3.162 12.804 -3.204 1.00 60.01 C ATOM 1970 CZ PHE A 133 -4.232 13.231 -3.963 1.00 73.14 C ATOM 0 H PHE A 133 -4.184 10.159 0.217 1.00 11.24 H new ATOM 0 HA PHE A 133 -6.259 9.389 -1.744 1.00 43.04 H new ATOM 0 HB2 PHE A 133 -3.269 9.045 -1.849 1.00 54.21 H new ATOM 0 HB3 PHE A 133 -4.418 8.532 -3.069 1.00 54.21 H new ATOM 0 HD1 PHE A 133 -6.121 10.451 -3.850 1.00 34.34 H new ATOM 0 HD2 PHE A 133 -2.321 11.198 -2.072 1.00 61.03 H new ATOM 0 HE1 PHE A 133 -6.133 12.716 -4.787 1.00 74.44 H new ATOM 0 HE2 PHE A 133 -2.327 13.466 -3.026 1.00 60.01 H new ATOM 0 HZ PHE A 133 -4.237 14.229 -4.377 1.00 73.14 H new ATOM 1980 N ARG A 134 -6.416 7.053 -1.278 1.00 14.22 N ATOM 1981 CA ARG A 134 -6.902 5.831 -0.688 1.00 54.12 C ATOM 1982 C ARG A 134 -6.352 4.558 -1.355 1.00 12.25 C ATOM 1983 O ARG A 134 -6.413 4.376 -2.588 1.00 71.40 O ATOM 1984 CB ARG A 134 -8.434 5.878 -0.612 1.00 24.02 C ATOM 1985 CG ARG A 134 -9.070 4.715 0.104 1.00 64.14 C ATOM 1986 CD ARG A 134 -10.507 5.021 0.527 1.00 72.32 C ATOM 1987 NE ARG A 134 -11.416 5.328 -0.587 1.00 64.14 N ATOM 1988 CZ ARG A 134 -12.575 4.678 -0.824 1.00 31.55 C ATOM 1989 NH1 ARG A 134 -12.866 3.556 -0.154 1.00 51.13 N ATOM 1990 NH2 ARG A 134 -13.424 5.137 -1.745 1.00 24.40 N ATOM 0 H ARG A 134 -6.813 7.272 -2.192 1.00 14.22 H new ATOM 0 HA ARG A 134 -6.513 5.765 0.328 1.00 54.12 H new ATOM 0 HB2 ARG A 134 -8.730 6.800 -0.111 1.00 24.02 H new ATOM 0 HB3 ARG A 134 -8.832 5.924 -1.626 1.00 24.02 H new ATOM 0 HG2 ARG A 134 -9.062 3.840 -0.546 1.00 64.14 H new ATOM 0 HG3 ARG A 134 -8.478 4.463 0.984 1.00 64.14 H new ATOM 0 HD2 ARG A 134 -10.901 4.166 1.076 1.00 72.32 H new ATOM 0 HD3 ARG A 134 -10.498 5.866 1.216 1.00 72.32 H new ATOM 0 HE ARG A 134 -11.154 6.082 -1.222 1.00 64.14 H new ATOM 0 HH11 ARG A 134 -12.211 3.191 0.537 1.00 51.13 H new ATOM 0 HH12 ARG A 134 -13.743 3.067 -0.335 1.00 51.13 H new ATOM 0 HH21 ARG A 134 -13.198 5.981 -2.272 1.00 24.40 H new ATOM 0 HH22 ARG A 134 -14.299 4.644 -1.922 1.00 24.40 H new ATOM 2004 N LEU A 135 -5.836 3.699 -0.503 1.00 20.42 N ATOM 2005 CA LEU A 135 -5.153 2.467 -0.832 1.00 52.44 C ATOM 2006 C LEU A 135 -5.846 1.287 -0.121 1.00 53.11 C ATOM 2007 O LEU A 135 -6.410 1.457 0.954 1.00 1.42 O ATOM 2008 CB LEU A 135 -3.709 2.585 -0.308 1.00 62.51 C ATOM 2009 CG LEU A 135 -2.790 1.379 -0.489 1.00 2.32 C ATOM 2010 CD1 LEU A 135 -2.426 1.205 -1.937 1.00 60.54 C ATOM 2011 CD2 LEU A 135 -1.546 1.522 0.362 1.00 51.31 C ATOM 0 H LEU A 135 -5.886 3.853 0.504 1.00 20.42 H new ATOM 0 HA LEU A 135 -5.169 2.296 -1.908 1.00 52.44 H new ATOM 0 HB2 LEU A 135 -3.242 3.439 -0.798 1.00 62.51 H new ATOM 0 HB3 LEU A 135 -3.756 2.815 0.756 1.00 62.51 H new ATOM 0 HG LEU A 135 -3.326 0.488 -0.161 1.00 2.32 H new ATOM 0 HD11 LEU A 135 -1.771 0.341 -2.046 1.00 60.54 H new ATOM 0 HD12 LEU A 135 -3.331 1.050 -2.524 1.00 60.54 H new ATOM 0 HD13 LEU A 135 -1.911 2.098 -2.293 1.00 60.54 H new ATOM 0 HD21 LEU A 135 -0.905 0.652 0.218 1.00 51.31 H new ATOM 0 HD22 LEU A 135 -1.007 2.423 0.069 1.00 51.31 H new ATOM 0 HD23 LEU A 135 -1.830 1.594 1.412 1.00 51.31 H new ATOM 2023 N VAL A 136 -5.894 0.144 -0.741 1.00 72.34 N ATOM 2024 CA VAL A 136 -6.377 -1.044 -0.052 1.00 43.23 C ATOM 2025 C VAL A 136 -5.294 -2.121 -0.107 1.00 20.33 C ATOM 2026 O VAL A 136 -4.655 -2.316 -1.151 1.00 33.34 O ATOM 2027 CB VAL A 136 -7.763 -1.555 -0.578 1.00 10.33 C ATOM 2028 CG1 VAL A 136 -7.733 -1.866 -2.046 1.00 61.15 C ATOM 2029 CG2 VAL A 136 -8.267 -2.752 0.223 1.00 70.44 C ATOM 0 H VAL A 136 -5.611 -0.003 -1.710 1.00 72.34 H new ATOM 0 HA VAL A 136 -6.570 -0.780 0.988 1.00 43.23 H new ATOM 0 HB VAL A 136 -8.468 -0.737 -0.433 1.00 10.33 H new ATOM 0 HG11 VAL A 136 -8.715 -2.216 -2.364 1.00 61.15 H new ATOM 0 HG12 VAL A 136 -7.471 -0.967 -2.603 1.00 61.15 H new ATOM 0 HG13 VAL A 136 -6.992 -2.641 -2.239 1.00 61.15 H new ATOM 0 HG21 VAL A 136 -9.230 -3.076 -0.173 1.00 70.44 H new ATOM 0 HG22 VAL A 136 -7.550 -3.569 0.146 1.00 70.44 H new ATOM 0 HG23 VAL A 136 -8.382 -2.467 1.269 1.00 70.44 H new ATOM 2039 N PHE A 137 -5.057 -2.769 1.010 1.00 50.34 N ATOM 2040 CA PHE A 137 -3.988 -3.739 1.132 1.00 11.31 C ATOM 2041 C PHE A 137 -4.607 -5.122 1.306 1.00 14.30 C ATOM 2042 O PHE A 137 -5.309 -5.362 2.280 1.00 42.41 O ATOM 2043 CB PHE A 137 -3.137 -3.371 2.358 1.00 41.11 C ATOM 2044 CG PHE A 137 -1.825 -4.085 2.463 1.00 32.25 C ATOM 2045 CD1 PHE A 137 -1.730 -5.319 3.077 1.00 74.42 C ATOM 2046 CD2 PHE A 137 -0.679 -3.508 1.949 1.00 12.21 C ATOM 2047 CE1 PHE A 137 -0.517 -5.962 3.172 1.00 1.42 C ATOM 2048 CE2 PHE A 137 0.536 -4.146 2.042 1.00 63.04 C ATOM 2049 CZ PHE A 137 0.618 -5.374 2.654 1.00 61.21 C ATOM 0 H PHE A 137 -5.600 -2.639 1.863 1.00 50.34 H new ATOM 0 HA PHE A 137 -3.355 -3.741 0.245 1.00 11.31 H new ATOM 0 HB2 PHE A 137 -2.948 -2.298 2.339 1.00 41.11 H new ATOM 0 HB3 PHE A 137 -3.717 -3.577 3.258 1.00 41.11 H new ATOM 0 HD1 PHE A 137 -2.615 -5.783 3.486 1.00 74.42 H new ATOM 0 HD2 PHE A 137 -0.738 -2.543 1.468 1.00 12.21 H new ATOM 0 HE1 PHE A 137 -0.454 -6.927 3.652 1.00 1.42 H new ATOM 0 HE2 PHE A 137 1.423 -3.683 1.635 1.00 63.04 H new ATOM 0 HZ PHE A 137 1.570 -5.878 2.729 1.00 61.21 H new ATOM 2059 N LEU A 138 -4.345 -6.018 0.387 1.00 53.21 N ATOM 2060 CA LEU A 138 -4.964 -7.336 0.393 1.00 1.34 C ATOM 2061 C LEU A 138 -3.920 -8.427 0.468 1.00 12.05 C ATOM 2062 O LEU A 138 -2.744 -8.191 0.216 1.00 63.21 O ATOM 2063 CB LEU A 138 -5.808 -7.581 -0.870 1.00 72.31 C ATOM 2064 CG LEU A 138 -6.937 -6.599 -1.183 1.00 51.25 C ATOM 2065 CD1 LEU A 138 -6.421 -5.343 -1.871 1.00 0.42 C ATOM 2066 CD2 LEU A 138 -7.987 -7.268 -2.018 1.00 13.34 C ATOM 0 H LEU A 138 -3.700 -5.863 -0.388 1.00 53.21 H new ATOM 0 HA LEU A 138 -5.607 -7.364 1.273 1.00 1.34 H new ATOM 0 HB2 LEU A 138 -5.132 -7.596 -1.725 1.00 72.31 H new ATOM 0 HB3 LEU A 138 -6.244 -8.577 -0.792 1.00 72.31 H new ATOM 0 HG LEU A 138 -7.381 -6.289 -0.237 1.00 51.25 H new ATOM 0 HD11 LEU A 138 -7.255 -4.672 -2.076 1.00 0.42 H new ATOM 0 HD12 LEU A 138 -5.703 -4.842 -1.222 1.00 0.42 H new ATOM 0 HD13 LEU A 138 -5.935 -5.615 -2.808 1.00 0.42 H new ATOM 0 HD21 LEU A 138 -8.786 -6.559 -2.235 1.00 13.34 H new ATOM 0 HD22 LEU A 138 -7.544 -7.612 -2.953 1.00 13.34 H new ATOM 0 HD23 LEU A 138 -8.396 -8.120 -1.475 1.00 13.34 H new ATOM 2078 N ALA A 139 -4.360 -9.622 0.797 1.00 54.25 N ATOM 2079 CA ALA A 139 -3.494 -10.781 0.849 1.00 44.13 C ATOM 2080 C ALA A 139 -3.187 -11.239 -0.559 1.00 14.22 C ATOM 2081 O ALA A 139 -4.033 -11.121 -1.460 1.00 1.34 O ATOM 2082 CB ALA A 139 -4.145 -11.906 1.640 1.00 3.31 C ATOM 0 H ALA A 139 -5.332 -9.818 1.037 1.00 54.25 H new ATOM 0 HA ALA A 139 -2.567 -10.509 1.353 1.00 44.13 H new ATOM 0 HB1 ALA A 139 -3.477 -12.767 1.666 1.00 3.31 H new ATOM 0 HB2 ALA A 139 -4.342 -11.569 2.658 1.00 3.31 H new ATOM 0 HB3 ALA A 139 -5.084 -12.190 1.164 1.00 3.31 H new ATOM 2088 N GLY A 140 -1.993 -11.739 -0.755 1.00 64.44 N ATOM 2089 CA GLY A 140 -1.590 -12.172 -2.056 1.00 43.52 C ATOM 2090 C GLY A 140 -1.615 -13.671 -2.174 1.00 3.44 C ATOM 2091 O GLY A 140 -1.981 -14.356 -1.213 1.00 4.33 O ATOM 0 H GLY A 140 -1.288 -11.854 -0.027 1.00 64.44 H new ATOM 0 HA2 GLY A 140 -2.251 -11.737 -2.806 1.00 43.52 H new ATOM 0 HA3 GLY A 140 -0.585 -11.807 -2.266 1.00 43.52 H new ATOM 2095 N PRO A 141 -1.234 -14.213 -3.329 1.00 31.22 N ATOM 2096 CA PRO A 141 -1.231 -15.655 -3.559 1.00 11.53 C ATOM 2097 C PRO A 141 -0.138 -16.369 -2.773 1.00 21.40 C ATOM 2098 O PRO A 141 0.925 -15.798 -2.480 1.00 0.22 O ATOM 2099 CB PRO A 141 -0.942 -15.778 -5.059 1.00 3.35 C ATOM 2100 CG PRO A 141 -0.217 -14.527 -5.411 1.00 42.55 C ATOM 2101 CD PRO A 141 -0.784 -13.462 -4.522 1.00 55.32 C ATOM 0 HA PRO A 141 -2.169 -16.110 -3.242 1.00 11.53 H new ATOM 0 HB2 PRO A 141 -0.338 -16.659 -5.274 1.00 3.35 H new ATOM 0 HB3 PRO A 141 -1.864 -15.876 -5.633 1.00 3.35 H new ATOM 0 HG2 PRO A 141 0.856 -14.639 -5.252 1.00 42.55 H new ATOM 0 HG3 PRO A 141 -0.359 -14.275 -6.462 1.00 42.55 H new ATOM 0 HD2 PRO A 141 -0.035 -12.712 -4.266 1.00 55.32 H new ATOM 0 HD3 PRO A 141 -1.610 -12.937 -5.001 1.00 55.32 H new