USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 SER OG : rot 103:sc= 0.462 USER MOD Set 1.2: A 108 ASN : amide:sc= 1.1 K(o=1.6,f=-2.5!) USER MOD Set 2.1: A 106 SER OG : rot -100:sc= 0.241 USER MOD Set 2.2: A 118 ASN : amide:sc= 0.287 X(o=0.53,f=0.069) USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.893 USER MOD Set 3.2: A 16 SER OG : rot 95:sc= 1.05 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -7.08! C(o=-7.1!,f=-5.7!) USER MOD Single : A 65 GLN : amide:sc= 0.499 K(o=0.5,f=-3.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -170:sc= -0.58 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 76 SER OG : rot 114:sc= -0.386 USER MOD Single : A 84 THR OG1 : rot -19:sc= 0.714 USER MOD Single : A 89 HIS : no HE2:sc= -2.48! C(o=-2.5!,f=-5.2!) USER MOD Single : A 95 ASN : amide:sc= 1.01 K(o=1,f=-5!) USER MOD Single : A 110 THR OG1 : rot 104:sc= 0.67 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.782! K(o=-0.78!,f=-0.17) USER MOD Single : A 120 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 122 MET CE :methyl 173:sc= -0.971 (180deg=-1.13) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 129 GLN : amide:sc= 0.881 K(o=0.88,f=-0.28) USER MOD Single : A 132 LYS NZ :NH3+ 160:sc= -0.0705 (180deg=-0.475) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 -5.033 -66.952 28.753 1.00 51.04 N ATOM 58 CA ASN A 5 -3.941 -66.267 28.123 1.00 64.14 C ATOM 59 C ASN A 5 -3.867 -64.892 28.699 1.00 60.13 C ATOM 60 O ASN A 5 -4.801 -64.098 28.534 1.00 30.30 O ATOM 61 CB ASN A 5 -4.110 -66.196 26.593 1.00 23.42 C ATOM 62 CG ASN A 5 -4.126 -67.560 25.930 1.00 2.43 C ATOM 63 OD1 ASN A 5 -5.183 -68.172 25.755 1.00 11.34 O ATOM 64 ND2 ASN A 5 -2.973 -68.040 25.542 1.00 14.54 N ATOM 0 HA ASN A 5 -3.019 -66.817 28.312 1.00 64.14 H new ATOM 0 HB2 ASN A 5 -5.039 -65.675 26.360 1.00 23.42 H new ATOM 0 HB3 ASN A 5 -3.298 -65.604 26.171 1.00 23.42 H new ATOM 0 HD21 ASN A 5 -2.928 -68.948 25.079 1.00 14.54 H new ATOM 0 HD22 ASN A 5 -2.118 -67.507 25.703 1.00 14.54 H new ATOM 71 N GLY A 6 -2.806 -64.631 29.423 1.00 2.04 N ATOM 72 CA GLY A 6 -2.613 -63.346 30.043 1.00 10.33 C ATOM 73 C GLY A 6 -2.466 -62.260 29.016 1.00 63.20 C ATOM 74 O GLY A 6 -1.448 -62.190 28.330 1.00 2.15 O ATOM 0 H GLY A 6 -2.056 -65.300 29.598 1.00 2.04 H new ATOM 0 HA2 GLY A 6 -3.459 -63.123 30.693 1.00 10.33 H new ATOM 0 HA3 GLY A 6 -1.725 -63.374 30.675 1.00 10.33 H new ATOM 78 N THR A 7 -3.475 -61.444 28.894 1.00 22.42 N ATOM 79 CA THR A 7 -3.493 -60.399 27.922 1.00 20.52 C ATOM 80 C THR A 7 -3.034 -59.093 28.565 1.00 15.11 C ATOM 81 O THR A 7 -3.419 -58.794 29.707 1.00 24.32 O ATOM 82 CB THR A 7 -4.925 -60.237 27.277 1.00 63.34 C ATOM 83 OG1 THR A 7 -4.938 -59.191 26.286 1.00 22.52 O ATOM 84 CG2 THR A 7 -6.010 -59.960 28.322 1.00 0.13 C ATOM 0 H THR A 7 -4.313 -61.490 29.474 1.00 22.42 H new ATOM 0 HA THR A 7 -2.805 -60.661 27.118 1.00 20.52 H new ATOM 0 HB THR A 7 -5.150 -61.191 26.799 1.00 63.34 H new ATOM 0 HG1 THR A 7 -5.837 -59.115 25.903 1.00 22.52 H new ATOM 0 HG21 THR A 7 -6.975 -59.857 27.826 1.00 0.13 H new ATOM 0 HG22 THR A 7 -6.053 -60.787 29.030 1.00 0.13 H new ATOM 0 HG23 THR A 7 -5.776 -59.038 28.854 1.00 0.13 H new ATOM 92 N PRO A 8 -2.153 -58.332 27.893 1.00 42.41 N ATOM 93 CA PRO A 8 -1.746 -57.026 28.373 1.00 24.12 C ATOM 94 C PRO A 8 -2.947 -56.094 28.395 1.00 21.41 C ATOM 95 O PRO A 8 -3.741 -56.061 27.448 1.00 71.32 O ATOM 96 CB PRO A 8 -0.721 -56.540 27.335 1.00 51.31 C ATOM 97 CG PRO A 8 -0.306 -57.761 26.598 1.00 21.24 C ATOM 98 CD PRO A 8 -1.481 -58.688 26.632 1.00 61.14 C ATOM 0 HA PRO A 8 -1.335 -57.055 29.382 1.00 24.12 H new ATOM 0 HB2 PRO A 8 -1.161 -55.804 26.662 1.00 51.31 H new ATOM 0 HB3 PRO A 8 0.132 -56.062 27.817 1.00 51.31 H new ATOM 0 HG2 PRO A 8 -0.029 -57.521 25.571 1.00 21.24 H new ATOM 0 HG3 PRO A 8 0.566 -58.220 27.064 1.00 21.24 H new ATOM 0 HD2 PRO A 8 -2.135 -58.542 25.772 1.00 61.14 H new ATOM 0 HD3 PRO A 8 -1.170 -59.733 26.622 1.00 61.14 H new ATOM 106 N GLU A 9 -3.100 -55.380 29.451 1.00 3.31 N ATOM 107 CA GLU A 9 -4.204 -54.484 29.581 1.00 72.41 C ATOM 108 C GLU A 9 -3.724 -53.068 29.338 1.00 62.03 C ATOM 109 O GLU A 9 -2.591 -52.745 29.721 1.00 64.31 O ATOM 110 CB GLU A 9 -4.863 -54.657 30.947 1.00 13.31 C ATOM 111 CG GLU A 9 -5.488 -56.034 31.107 1.00 42.25 C ATOM 112 CD GLU A 9 -6.088 -56.264 32.460 1.00 62.15 C ATOM 113 OE1 GLU A 9 -7.030 -55.531 32.839 1.00 62.34 O ATOM 114 OE2 GLU A 9 -5.629 -57.186 33.174 1.00 31.32 O ATOM 0 H GLU A 9 -2.468 -55.396 30.251 1.00 3.31 H new ATOM 0 HA GLU A 9 -4.967 -54.709 28.836 1.00 72.41 H new ATOM 0 HB2 GLU A 9 -4.121 -54.503 31.730 1.00 13.31 H new ATOM 0 HB3 GLU A 9 -5.629 -53.893 31.079 1.00 13.31 H new ATOM 0 HG2 GLU A 9 -6.260 -56.164 30.349 1.00 42.25 H new ATOM 0 HG3 GLU A 9 -4.728 -56.793 30.921 1.00 42.25 H new ATOM 121 N PRO A 10 -4.559 -52.233 28.648 1.00 4.43 N ATOM 122 CA PRO A 10 -4.225 -50.856 28.271 1.00 74.01 C ATOM 123 C PRO A 10 -3.451 -50.119 29.343 1.00 64.12 C ATOM 124 O PRO A 10 -3.946 -49.909 30.463 1.00 34.54 O ATOM 125 CB PRO A 10 -5.570 -50.190 28.073 1.00 73.23 C ATOM 126 CG PRO A 10 -6.534 -51.290 27.762 1.00 33.31 C ATOM 127 CD PRO A 10 -5.899 -52.598 28.177 1.00 43.24 C ATOM 0 HA PRO A 10 -3.585 -50.843 27.389 1.00 74.01 H new ATOM 0 HB2 PRO A 10 -5.873 -49.648 28.969 1.00 73.23 H new ATOM 0 HB3 PRO A 10 -5.530 -49.465 27.260 1.00 73.23 H new ATOM 0 HG2 PRO A 10 -7.473 -51.136 28.294 1.00 33.31 H new ATOM 0 HG3 PRO A 10 -6.769 -51.301 26.698 1.00 33.31 H new ATOM 0 HD2 PRO A 10 -6.475 -53.085 28.964 1.00 43.24 H new ATOM 0 HD3 PRO A 10 -5.848 -53.295 27.341 1.00 43.24 H new ATOM 135 N GLN A 11 -2.239 -49.786 29.010 1.00 55.14 N ATOM 136 CA GLN A 11 -1.345 -49.103 29.902 1.00 65.41 C ATOM 137 C GLN A 11 -1.865 -47.715 30.230 1.00 0.02 C ATOM 138 O GLN A 11 -2.142 -46.893 29.332 1.00 61.25 O ATOM 139 CB GLN A 11 0.082 -49.079 29.337 1.00 40.52 C ATOM 140 CG GLN A 11 0.215 -48.499 27.942 1.00 11.40 C ATOM 141 CD GLN A 11 1.627 -48.607 27.418 1.00 11.30 C ATOM 142 OE1 GLN A 11 1.997 -49.600 26.792 1.00 5.53 O ATOM 143 NE2 GLN A 11 2.422 -47.605 27.673 1.00 3.53 N ATOM 0 H GLN A 11 -1.835 -49.984 28.095 1.00 55.14 H new ATOM 0 HA GLN A 11 -1.302 -49.655 30.841 1.00 65.41 H new ATOM 0 HB2 GLN A 11 0.714 -48.504 30.014 1.00 40.52 H new ATOM 0 HB3 GLN A 11 0.469 -50.098 29.328 1.00 40.52 H new ATOM 0 HG2 GLN A 11 -0.463 -49.020 27.266 1.00 11.40 H new ATOM 0 HG3 GLN A 11 -0.088 -47.452 27.954 1.00 11.40 H new ATOM 0 HE21 GLN A 11 2.076 -46.800 28.195 1.00 3.53 H new ATOM 0 HE22 GLN A 11 3.389 -47.626 27.350 1.00 3.53 H new ATOM 152 N VAL A 12 -2.046 -47.475 31.490 1.00 62.43 N ATOM 153 CA VAL A 12 -2.583 -46.232 31.948 1.00 53.21 C ATOM 154 C VAL A 12 -1.485 -45.187 32.123 1.00 53.45 C ATOM 155 O VAL A 12 -0.516 -45.382 32.860 1.00 30.34 O ATOM 156 CB VAL A 12 -3.459 -46.397 33.242 1.00 24.41 C ATOM 157 CG1 VAL A 12 -2.681 -47.014 34.403 1.00 31.44 C ATOM 158 CG2 VAL A 12 -4.094 -45.071 33.651 1.00 5.35 C ATOM 0 H VAL A 12 -1.825 -48.138 32.233 1.00 62.43 H new ATOM 0 HA VAL A 12 -3.258 -45.868 31.173 1.00 53.21 H new ATOM 0 HB VAL A 12 -4.257 -47.096 32.991 1.00 24.41 H new ATOM 0 HG11 VAL A 12 -3.334 -47.105 35.271 1.00 31.44 H new ATOM 0 HG12 VAL A 12 -2.320 -48.001 34.115 1.00 31.44 H new ATOM 0 HG13 VAL A 12 -1.833 -46.376 34.652 1.00 31.44 H new ATOM 0 HG21 VAL A 12 -4.694 -45.217 34.549 1.00 5.35 H new ATOM 0 HG22 VAL A 12 -3.311 -44.339 33.852 1.00 5.35 H new ATOM 0 HG23 VAL A 12 -4.731 -44.708 32.844 1.00 5.35 H new ATOM 168 N GLU A 13 -1.615 -44.126 31.395 1.00 65.23 N ATOM 169 CA GLU A 13 -0.705 -43.028 31.457 1.00 52.22 C ATOM 170 C GLU A 13 -1.507 -41.801 31.827 1.00 24.41 C ATOM 171 O GLU A 13 -2.655 -41.652 31.382 1.00 72.13 O ATOM 172 CB GLU A 13 0.009 -42.850 30.104 1.00 54.34 C ATOM 173 CG GLU A 13 1.028 -41.719 30.065 1.00 24.24 C ATOM 174 CD GLU A 13 2.094 -41.860 31.122 1.00 25.13 C ATOM 175 OE1 GLU A 13 3.137 -42.494 30.856 1.00 2.03 O ATOM 176 OE2 GLU A 13 1.910 -41.324 32.242 1.00 75.31 O ATOM 0 H GLU A 13 -2.374 -43.995 30.726 1.00 65.23 H new ATOM 0 HA GLU A 13 0.071 -43.202 32.203 1.00 52.22 H new ATOM 0 HB2 GLU A 13 0.512 -43.783 29.849 1.00 54.34 H new ATOM 0 HB3 GLU A 13 -0.741 -42.671 29.334 1.00 54.34 H new ATOM 0 HG2 GLU A 13 1.498 -41.693 29.082 1.00 24.24 H new ATOM 0 HG3 GLU A 13 0.514 -40.767 30.198 1.00 24.24 H new ATOM 183 N THR A 14 -0.957 -40.970 32.648 1.00 44.23 N ATOM 184 CA THR A 14 -1.644 -39.799 33.082 1.00 3.21 C ATOM 185 C THR A 14 -1.425 -38.695 32.050 1.00 44.43 C ATOM 186 O THR A 14 -0.321 -38.524 31.532 1.00 4.33 O ATOM 187 CB THR A 14 -1.183 -39.360 34.516 1.00 2.20 C ATOM 188 OG1 THR A 14 -1.906 -38.200 34.968 1.00 5.15 O ATOM 189 CG2 THR A 14 0.318 -39.084 34.573 1.00 64.31 C ATOM 0 H THR A 14 -0.021 -41.083 33.037 1.00 44.23 H new ATOM 0 HA THR A 14 -2.711 -40.009 33.159 1.00 3.21 H new ATOM 0 HB THR A 14 -1.404 -40.195 35.181 1.00 2.20 H new ATOM 0 HG1 THR A 14 -1.598 -37.951 35.865 1.00 5.15 H new ATOM 0 HG21 THR A 14 0.594 -38.783 35.583 1.00 64.31 H new ATOM 0 HG22 THR A 14 0.865 -39.987 34.301 1.00 64.31 H new ATOM 0 HG23 THR A 14 0.568 -38.285 33.875 1.00 64.31 H new ATOM 197 N THR A 15 -2.461 -37.983 31.723 1.00 71.11 N ATOM 198 CA THR A 15 -2.371 -36.931 30.749 1.00 45.31 C ATOM 199 C THR A 15 -2.108 -35.584 31.437 1.00 52.53 C ATOM 200 O THR A 15 -2.259 -34.513 30.844 1.00 43.21 O ATOM 201 CB THR A 15 -3.673 -36.891 29.935 1.00 44.21 C ATOM 202 OG1 THR A 15 -4.789 -36.858 30.840 1.00 1.15 O ATOM 203 CG2 THR A 15 -3.789 -38.126 29.048 1.00 74.40 C ATOM 0 H THR A 15 -3.391 -38.112 32.121 1.00 71.11 H new ATOM 0 HA THR A 15 -1.536 -37.124 30.075 1.00 45.31 H new ATOM 0 HB THR A 15 -3.668 -36.003 29.303 1.00 44.21 H new ATOM 0 HG1 THR A 15 -5.624 -36.831 30.328 1.00 1.15 H new ATOM 0 HG21 THR A 15 -4.718 -38.080 28.479 1.00 74.40 H new ATOM 0 HG22 THR A 15 -2.944 -38.161 28.361 1.00 74.40 H new ATOM 0 HG23 THR A 15 -3.789 -39.022 29.669 1.00 74.40 H new ATOM 211 N SER A 16 -1.685 -35.661 32.681 1.00 24.02 N ATOM 212 CA SER A 16 -1.437 -34.502 33.487 1.00 52.51 C ATOM 213 C SER A 16 -0.087 -33.858 33.165 1.00 4.52 C ATOM 214 O SER A 16 0.973 -34.323 33.620 1.00 62.44 O ATOM 215 CB SER A 16 -1.507 -34.882 34.954 1.00 13.54 C ATOM 216 OG SER A 16 -2.734 -35.543 35.231 1.00 3.50 O ATOM 0 H SER A 16 -1.504 -36.544 33.159 1.00 24.02 H new ATOM 0 HA SER A 16 -2.205 -33.762 33.262 1.00 52.51 H new ATOM 0 HB2 SER A 16 -0.670 -35.532 35.209 1.00 13.54 H new ATOM 0 HB3 SER A 16 -1.418 -33.989 35.573 1.00 13.54 H new ATOM 0 HG SER A 16 -2.603 -36.513 35.174 1.00 3.50 H new ATOM 222 N VAL A 17 -0.137 -32.846 32.342 1.00 74.10 N ATOM 223 CA VAL A 17 1.006 -32.040 32.018 1.00 74.33 C ATOM 224 C VAL A 17 0.643 -30.584 32.282 1.00 45.23 C ATOM 225 O VAL A 17 -0.513 -30.184 32.074 1.00 10.11 O ATOM 226 CB VAL A 17 1.488 -32.245 30.544 1.00 64.13 C ATOM 227 CG1 VAL A 17 2.104 -33.629 30.366 1.00 51.10 C ATOM 228 CG2 VAL A 17 0.342 -32.071 29.559 1.00 45.00 C ATOM 0 H VAL A 17 -0.992 -32.554 31.869 1.00 74.10 H new ATOM 0 HA VAL A 17 1.844 -32.344 32.645 1.00 74.33 H new ATOM 0 HB VAL A 17 2.243 -31.485 30.340 1.00 64.13 H new ATOM 0 HG11 VAL A 17 2.433 -33.751 29.334 1.00 51.10 H new ATOM 0 HG12 VAL A 17 2.959 -33.735 31.034 1.00 51.10 H new ATOM 0 HG13 VAL A 17 1.361 -34.391 30.603 1.00 51.10 H new ATOM 0 HG21 VAL A 17 0.709 -32.220 28.544 1.00 45.00 H new ATOM 0 HG22 VAL A 17 -0.437 -32.803 29.774 1.00 45.00 H new ATOM 0 HG23 VAL A 17 -0.069 -31.066 29.653 1.00 45.00 H new ATOM 616 N GLY A 45 3.272 -15.191 2.660 1.00 2.10 N ATOM 617 CA GLY A 45 3.109 -14.208 3.710 1.00 44.34 C ATOM 618 C GLY A 45 3.343 -12.833 3.165 1.00 35.54 C ATOM 619 O GLY A 45 3.807 -11.941 3.853 1.00 2.34 O ATOM 0 HA2 GLY A 45 2.106 -14.276 4.130 1.00 44.34 H new ATOM 0 HA3 GLY A 45 3.809 -14.411 4.521 1.00 44.34 H new ATOM 623 N SER A 46 3.034 -12.682 1.919 1.00 74.30 N ATOM 624 CA SER A 46 3.207 -11.446 1.240 1.00 54.12 C ATOM 625 C SER A 46 1.842 -10.759 1.142 1.00 0.14 C ATOM 626 O SER A 46 0.803 -11.411 1.330 1.00 74.33 O ATOM 627 CB SER A 46 3.780 -11.746 -0.133 1.00 61.32 C ATOM 628 OG SER A 46 4.906 -12.620 -0.010 1.00 43.41 O ATOM 0 H SER A 46 2.649 -13.427 1.338 1.00 74.30 H new ATOM 0 HA SER A 46 3.890 -10.781 1.768 1.00 54.12 H new ATOM 0 HB2 SER A 46 3.018 -12.206 -0.762 1.00 61.32 H new ATOM 0 HB3 SER A 46 4.080 -10.819 -0.622 1.00 61.32 H new ATOM 0 HG SER A 46 5.270 -12.811 -0.899 1.00 43.41 H new ATOM 634 N ALA A 47 1.827 -9.483 0.867 1.00 43.03 N ATOM 635 CA ALA A 47 0.585 -8.742 0.801 1.00 33.13 C ATOM 636 C ALA A 47 0.622 -7.807 -0.381 1.00 44.10 C ATOM 637 O ALA A 47 1.681 -7.580 -0.937 1.00 54.31 O ATOM 638 CB ALA A 47 0.365 -7.987 2.094 1.00 14.42 C ATOM 0 H ALA A 47 2.663 -8.927 0.683 1.00 43.03 H new ATOM 0 HA ALA A 47 -0.250 -9.430 0.670 1.00 33.13 H new ATOM 0 HB1 ALA A 47 -0.571 -7.432 2.036 1.00 14.42 H new ATOM 0 HB2 ALA A 47 0.318 -8.692 2.924 1.00 14.42 H new ATOM 0 HB3 ALA A 47 1.189 -7.292 2.254 1.00 14.42 H new ATOM 644 N LEU A 48 -0.508 -7.287 -0.784 1.00 41.14 N ATOM 645 CA LEU A 48 -0.557 -6.423 -1.939 1.00 43.24 C ATOM 646 C LEU A 48 -1.401 -5.190 -1.685 1.00 3.01 C ATOM 647 O LEU A 48 -2.232 -5.171 -0.779 1.00 74.12 O ATOM 648 CB LEU A 48 -1.006 -7.216 -3.192 1.00 11.52 C ATOM 649 CG LEU A 48 -2.382 -7.903 -3.164 1.00 32.14 C ATOM 650 CD1 LEU A 48 -3.507 -6.937 -3.510 1.00 65.43 C ATOM 651 CD2 LEU A 48 -2.389 -9.098 -4.089 1.00 71.11 C ATOM 0 H LEU A 48 -1.408 -7.446 -0.331 1.00 41.14 H new ATOM 0 HA LEU A 48 0.450 -6.055 -2.136 1.00 43.24 H new ATOM 0 HB2 LEU A 48 -0.993 -6.532 -4.041 1.00 11.52 H new ATOM 0 HB3 LEU A 48 -0.256 -7.982 -3.388 1.00 11.52 H new ATOM 0 HG LEU A 48 -2.561 -8.248 -2.146 1.00 32.14 H new ATOM 0 HD11 LEU A 48 -4.461 -7.463 -3.479 1.00 65.43 H new ATOM 0 HD12 LEU A 48 -3.519 -6.120 -2.789 1.00 65.43 H new ATOM 0 HD13 LEU A 48 -3.347 -6.536 -4.511 1.00 65.43 H new ATOM 0 HD21 LEU A 48 -3.369 -9.575 -4.060 1.00 71.11 H new ATOM 0 HD22 LEU A 48 -2.175 -8.772 -5.107 1.00 71.11 H new ATOM 0 HD23 LEU A 48 -1.629 -9.810 -3.769 1.00 71.11 H new ATOM 663 N LEU A 49 -1.199 -4.179 -2.470 1.00 4.21 N ATOM 664 CA LEU A 49 -1.959 -2.969 -2.334 1.00 11.00 C ATOM 665 C LEU A 49 -2.555 -2.566 -3.667 1.00 34.13 C ATOM 666 O LEU A 49 -1.974 -2.846 -4.732 1.00 51.11 O ATOM 667 CB LEU A 49 -1.117 -1.843 -1.667 1.00 34.11 C ATOM 668 CG LEU A 49 0.230 -1.423 -2.317 1.00 43.22 C ATOM 669 CD1 LEU A 49 0.051 -0.645 -3.617 1.00 40.25 C ATOM 670 CD2 LEU A 49 1.070 -0.623 -1.332 1.00 31.33 C ATOM 0 H LEU A 49 -0.508 -4.165 -3.220 1.00 4.21 H new ATOM 0 HA LEU A 49 -2.796 -3.150 -1.659 1.00 11.00 H new ATOM 0 HB2 LEU A 49 -1.745 -0.954 -1.608 1.00 34.11 H new ATOM 0 HB3 LEU A 49 -0.906 -2.153 -0.643 1.00 34.11 H new ATOM 0 HG LEU A 49 0.751 -2.345 -2.574 1.00 43.22 H new ATOM 0 HD11 LEU A 49 1.029 -0.381 -4.021 1.00 40.25 H new ATOM 0 HD12 LEU A 49 -0.485 -1.261 -4.339 1.00 40.25 H new ATOM 0 HD13 LEU A 49 -0.518 0.264 -3.422 1.00 40.25 H new ATOM 0 HD21 LEU A 49 2.010 -0.337 -1.804 1.00 31.33 H new ATOM 0 HD22 LEU A 49 0.526 0.273 -1.034 1.00 31.33 H new ATOM 0 HD23 LEU A 49 1.276 -1.232 -0.452 1.00 31.33 H new ATOM 682 N VAL A 50 -3.719 -1.974 -3.617 1.00 25.02 N ATOM 683 CA VAL A 50 -4.410 -1.509 -4.795 1.00 62.03 C ATOM 684 C VAL A 50 -4.760 -0.040 -4.596 1.00 31.35 C ATOM 685 O VAL A 50 -5.431 0.324 -3.617 1.00 44.40 O ATOM 686 CB VAL A 50 -5.723 -2.312 -5.053 1.00 3.52 C ATOM 687 CG1 VAL A 50 -6.403 -1.863 -6.333 1.00 42.41 C ATOM 688 CG2 VAL A 50 -5.469 -3.816 -5.081 1.00 72.34 C ATOM 0 H VAL A 50 -4.222 -1.798 -2.747 1.00 25.02 H new ATOM 0 HA VAL A 50 -3.757 -1.650 -5.657 1.00 62.03 H new ATOM 0 HB VAL A 50 -6.393 -2.102 -4.219 1.00 3.52 H new ATOM 0 HG11 VAL A 50 -7.314 -2.442 -6.483 1.00 42.41 H new ATOM 0 HG12 VAL A 50 -6.653 -0.805 -6.260 1.00 42.41 H new ATOM 0 HG13 VAL A 50 -5.731 -2.019 -7.176 1.00 42.41 H new ATOM 0 HG21 VAL A 50 -6.407 -4.340 -5.263 1.00 72.34 H new ATOM 0 HG22 VAL A 50 -4.762 -4.051 -5.877 1.00 72.34 H new ATOM 0 HG23 VAL A 50 -5.056 -4.133 -4.123 1.00 72.34 H new ATOM 698 N VAL A 51 -4.300 0.798 -5.487 1.00 13.35 N ATOM 699 CA VAL A 51 -4.568 2.219 -5.395 1.00 71.42 C ATOM 700 C VAL A 51 -5.791 2.530 -6.204 1.00 21.11 C ATOM 701 O VAL A 51 -5.816 2.314 -7.419 1.00 13.14 O ATOM 702 CB VAL A 51 -3.394 3.060 -5.934 1.00 14.05 C ATOM 703 CG1 VAL A 51 -3.590 4.543 -5.633 1.00 14.15 C ATOM 704 CG2 VAL A 51 -2.073 2.559 -5.392 1.00 52.41 C ATOM 0 H VAL A 51 -3.735 0.525 -6.291 1.00 13.35 H new ATOM 0 HA VAL A 51 -4.712 2.470 -4.344 1.00 71.42 H new ATOM 0 HB VAL A 51 -3.374 2.946 -7.018 1.00 14.05 H new ATOM 0 HG11 VAL A 51 -2.745 5.109 -6.026 1.00 14.15 H new ATOM 0 HG12 VAL A 51 -4.510 4.891 -6.103 1.00 14.15 H new ATOM 0 HG13 VAL A 51 -3.655 4.690 -4.555 1.00 14.15 H new ATOM 0 HG21 VAL A 51 -1.262 3.170 -5.788 1.00 52.41 H new ATOM 0 HG22 VAL A 51 -2.078 2.624 -4.304 1.00 52.41 H new ATOM 0 HG23 VAL A 51 -1.926 1.522 -5.693 1.00 52.41 H new ATOM 714 N LYS A 52 -6.806 3.016 -5.545 1.00 13.13 N ATOM 715 CA LYS A 52 -8.041 3.321 -6.220 1.00 55.01 C ATOM 716 C LYS A 52 -8.040 4.737 -6.737 1.00 34.22 C ATOM 717 O LYS A 52 -8.628 5.026 -7.785 1.00 24.20 O ATOM 718 CB LYS A 52 -9.250 3.049 -5.326 1.00 30.21 C ATOM 719 CG LYS A 52 -9.463 1.573 -4.993 1.00 1.13 C ATOM 720 CD LYS A 52 -9.610 0.753 -6.265 1.00 14.31 C ATOM 721 CE LYS A 52 -9.974 -0.691 -5.996 1.00 22.21 C ATOM 722 NZ LYS A 52 -10.063 -1.460 -7.256 1.00 63.40 N ATOM 0 H LYS A 52 -6.805 3.210 -4.544 1.00 13.13 H new ATOM 0 HA LYS A 52 -8.122 2.656 -7.080 1.00 55.01 H new ATOM 0 HB2 LYS A 52 -9.133 3.606 -4.397 1.00 30.21 H new ATOM 0 HB3 LYS A 52 -10.145 3.432 -5.817 1.00 30.21 H new ATOM 0 HG2 LYS A 52 -8.621 1.201 -4.410 1.00 1.13 H new ATOM 0 HG3 LYS A 52 -10.354 1.459 -4.375 1.00 1.13 H new ATOM 0 HD2 LYS A 52 -10.376 1.204 -6.896 1.00 14.31 H new ATOM 0 HD3 LYS A 52 -8.675 0.789 -6.824 1.00 14.31 H new ATOM 0 HE2 LYS A 52 -9.227 -1.142 -5.343 1.00 22.21 H new ATOM 0 HE3 LYS A 52 -10.927 -0.737 -5.470 1.00 22.21 H new ATOM 0 HZ1 LYS A 52 -10.314 -2.447 -7.044 1.00 63.40 H new ATOM 0 HZ2 LYS A 52 -10.793 -1.041 -7.867 1.00 63.40 H new ATOM 0 HZ3 LYS A 52 -9.145 -1.434 -7.744 1.00 63.40 H new ATOM 736 N ARG A 53 -7.363 5.616 -6.029 1.00 15.40 N ATOM 737 CA ARG A 53 -7.270 6.995 -6.447 1.00 3.35 C ATOM 738 C ARG A 53 -6.048 7.640 -5.842 1.00 3.02 C ATOM 739 O ARG A 53 -5.805 7.517 -4.634 1.00 30.41 O ATOM 740 CB ARG A 53 -8.543 7.793 -6.077 1.00 14.33 C ATOM 741 CG ARG A 53 -8.545 9.233 -6.599 1.00 32.15 C ATOM 742 CD ARG A 53 -8.414 9.260 -8.122 1.00 4.53 C ATOM 743 NE ARG A 53 -8.342 10.613 -8.670 1.00 40.54 N ATOM 744 CZ ARG A 53 -7.701 10.950 -9.798 1.00 13.44 C ATOM 745 NH1 ARG A 53 -7.040 10.029 -10.495 1.00 3.31 N ATOM 746 NH2 ARG A 53 -7.717 12.210 -10.219 1.00 51.44 N ATOM 0 H ARG A 53 -6.870 5.399 -5.163 1.00 15.40 H new ATOM 0 HA ARG A 53 -7.180 7.009 -7.533 1.00 3.35 H new ATOM 0 HB2 ARG A 53 -9.415 7.272 -6.473 1.00 14.33 H new ATOM 0 HB3 ARG A 53 -8.647 7.810 -4.992 1.00 14.33 H new ATOM 0 HG2 ARG A 53 -9.467 9.731 -6.300 1.00 32.15 H new ATOM 0 HG3 ARG A 53 -7.722 9.789 -6.149 1.00 32.15 H new ATOM 0 HD2 ARG A 53 -7.520 8.709 -8.413 1.00 4.53 H new ATOM 0 HD3 ARG A 53 -9.265 8.741 -8.563 1.00 4.53 H new ATOM 0 HE ARG A 53 -8.815 11.356 -8.156 1.00 40.54 H new ATOM 0 HH11 ARG A 53 -7.020 9.062 -10.171 1.00 3.31 H new ATOM 0 HH12 ARG A 53 -6.554 10.290 -11.353 1.00 3.31 H new ATOM 0 HH21 ARG A 53 -8.217 12.920 -9.684 1.00 51.44 H new ATOM 0 HH22 ARG A 53 -7.229 12.467 -11.077 1.00 51.44 H new ATOM 760 N GLY A 54 -5.264 8.274 -6.681 1.00 50.25 N ATOM 761 CA GLY A 54 -4.119 8.983 -6.225 1.00 42.04 C ATOM 762 C GLY A 54 -2.920 8.806 -7.143 1.00 31.31 C ATOM 763 O GLY A 54 -2.630 7.677 -7.569 1.00 20.52 O ATOM 0 H GLY A 54 -5.410 8.306 -7.690 1.00 50.25 H new ATOM 0 HA2 GLY A 54 -4.359 10.043 -6.147 1.00 42.04 H new ATOM 0 HA3 GLY A 54 -3.859 8.641 -5.223 1.00 42.04 H new ATOM 767 N PRO A 55 -2.175 9.919 -7.455 1.00 74.43 N ATOM 768 CA PRO A 55 -0.915 9.890 -8.268 1.00 15.32 C ATOM 769 C PRO A 55 0.175 9.012 -7.611 1.00 43.41 C ATOM 770 O PRO A 55 1.255 8.761 -8.189 1.00 41.01 O ATOM 771 CB PRO A 55 -0.482 11.361 -8.298 1.00 0.25 C ATOM 772 CG PRO A 55 -1.737 12.120 -8.067 1.00 44.32 C ATOM 773 CD PRO A 55 -2.525 11.303 -7.091 1.00 25.54 C ATOM 0 HA PRO A 55 -1.069 9.461 -9.258 1.00 15.32 H new ATOM 0 HB2 PRO A 55 0.258 11.573 -7.527 1.00 0.25 H new ATOM 0 HB3 PRO A 55 -0.030 11.623 -9.255 1.00 0.25 H new ATOM 0 HG2 PRO A 55 -1.527 13.113 -7.669 1.00 44.32 H new ATOM 0 HG3 PRO A 55 -2.288 12.259 -8.997 1.00 44.32 H new ATOM 0 HD2 PRO A 55 -2.251 11.531 -6.061 1.00 25.54 H new ATOM 0 HD3 PRO A 55 -3.596 11.486 -7.184 1.00 25.54 H new ATOM 781 N ASN A 56 -0.138 8.614 -6.376 1.00 11.04 N ATOM 782 CA ASN A 56 0.542 7.602 -5.558 1.00 42.34 C ATOM 783 C ASN A 56 1.055 6.477 -6.468 1.00 53.30 C ATOM 784 O ASN A 56 2.232 6.135 -6.450 1.00 32.31 O ATOM 785 CB ASN A 56 -0.568 7.044 -4.632 1.00 31.41 C ATOM 786 CG ASN A 56 -0.185 5.871 -3.762 1.00 65.14 C ATOM 787 OD1 ASN A 56 -0.262 4.735 -4.174 1.00 20.43 O ATOM 788 ND2 ASN A 56 0.168 6.137 -2.551 1.00 72.13 N ATOM 0 H ASN A 56 -0.933 9.020 -5.883 1.00 11.04 H new ATOM 0 HA ASN A 56 1.389 8.007 -5.004 1.00 42.34 H new ATOM 0 HB2 ASN A 56 -0.913 7.851 -3.986 1.00 31.41 H new ATOM 0 HB3 ASN A 56 -1.414 6.748 -5.252 1.00 31.41 H new ATOM 0 HD21 ASN A 56 0.393 5.379 -1.907 1.00 72.13 H new ATOM 0 HD22 ASN A 56 0.223 7.106 -2.237 1.00 72.13 H new ATOM 795 N ALA A 57 0.162 5.966 -7.302 1.00 64.31 N ATOM 796 CA ALA A 57 0.482 4.949 -8.283 1.00 42.53 C ATOM 797 C ALA A 57 -0.686 4.786 -9.217 1.00 32.23 C ATOM 798 O ALA A 57 -0.575 5.002 -10.419 1.00 3.21 O ATOM 799 CB ALA A 57 0.837 3.605 -7.635 1.00 34.12 C ATOM 0 H ALA A 57 -0.817 6.252 -7.314 1.00 64.31 H new ATOM 0 HA ALA A 57 1.364 5.275 -8.834 1.00 42.53 H new ATOM 0 HB1 ALA A 57 1.069 2.876 -8.412 1.00 34.12 H new ATOM 0 HB2 ALA A 57 1.704 3.732 -6.986 1.00 34.12 H new ATOM 0 HB3 ALA A 57 -0.009 3.250 -7.046 1.00 34.12 H new ATOM 805 N GLY A 58 -1.828 4.459 -8.645 1.00 71.13 N ATOM 806 CA GLY A 58 -3.017 4.219 -9.440 1.00 64.44 C ATOM 807 C GLY A 58 -2.949 2.857 -10.088 1.00 51.33 C ATOM 808 O GLY A 58 -3.489 2.637 -11.178 1.00 24.42 O ATOM 0 H GLY A 58 -1.958 4.354 -7.639 1.00 71.13 H new ATOM 0 HA2 GLY A 58 -3.904 4.285 -8.809 1.00 64.44 H new ATOM 0 HA3 GLY A 58 -3.112 4.989 -10.206 1.00 64.44 H new ATOM 812 N ALA A 59 -2.275 1.955 -9.409 1.00 12.12 N ATOM 813 CA ALA A 59 -2.030 0.622 -9.889 1.00 54.24 C ATOM 814 C ALA A 59 -2.115 -0.342 -8.717 1.00 42.04 C ATOM 815 O ALA A 59 -2.442 0.073 -7.594 1.00 34.35 O ATOM 816 CB ALA A 59 -0.644 0.566 -10.524 1.00 1.13 C ATOM 0 H ALA A 59 -1.875 2.137 -8.488 1.00 12.12 H new ATOM 0 HA ALA A 59 -2.772 0.344 -10.638 1.00 54.24 H new ATOM 0 HB1 ALA A 59 -0.452 -0.443 -10.890 1.00 1.13 H new ATOM 0 HB2 ALA A 59 -0.596 1.269 -11.356 1.00 1.13 H new ATOM 0 HB3 ALA A 59 0.108 0.831 -9.781 1.00 1.13 H new ATOM 822 N ARG A 60 -1.827 -1.597 -8.961 1.00 23.40 N ATOM 823 CA ARG A 60 -1.847 -2.600 -7.924 1.00 71.23 C ATOM 824 C ARG A 60 -0.609 -3.477 -8.052 1.00 63.14 C ATOM 825 O ARG A 60 -0.201 -3.836 -9.175 1.00 32.31 O ATOM 826 CB ARG A 60 -3.141 -3.440 -8.001 1.00 13.52 C ATOM 827 CG ARG A 60 -3.296 -4.274 -9.263 1.00 44.44 C ATOM 828 CD ARG A 60 -4.649 -4.951 -9.324 1.00 23.03 C ATOM 829 NE ARG A 60 -4.735 -5.897 -10.444 1.00 13.42 N ATOM 830 CZ ARG A 60 -5.585 -5.826 -11.479 1.00 53.11 C ATOM 831 NH1 ARG A 60 -6.348 -4.750 -11.663 1.00 52.24 N ATOM 832 NH2 ARG A 60 -5.648 -6.822 -12.342 1.00 25.40 N ATOM 0 H ARG A 60 -1.572 -1.952 -9.883 1.00 23.40 H new ATOM 0 HA ARG A 60 -1.835 -2.114 -6.948 1.00 71.23 H new ATOM 0 HB2 ARG A 60 -3.175 -4.105 -7.138 1.00 13.52 H new ATOM 0 HB3 ARG A 60 -3.996 -2.769 -7.920 1.00 13.52 H new ATOM 0 HG2 ARG A 60 -3.168 -3.637 -10.138 1.00 44.44 H new ATOM 0 HG3 ARG A 60 -2.510 -5.028 -9.300 1.00 44.44 H new ATOM 0 HD2 ARG A 60 -4.834 -5.478 -8.388 1.00 23.03 H new ATOM 0 HD3 ARG A 60 -5.429 -4.196 -9.425 1.00 23.03 H new ATOM 0 HE ARG A 60 -4.086 -6.684 -10.434 1.00 13.42 H new ATOM 0 HH11 ARG A 60 -6.290 -3.967 -11.012 1.00 52.24 H new ATOM 0 HH12 ARG A 60 -6.990 -4.709 -12.454 1.00 52.24 H new ATOM 0 HH21 ARG A 60 -5.052 -7.641 -12.220 1.00 25.40 H new ATOM 0 HH22 ARG A 60 -6.293 -6.773 -13.131 1.00 25.40 H new ATOM 846 N PHE A 61 0.012 -3.783 -6.937 1.00 60.42 N ATOM 847 CA PHE A 61 1.208 -4.600 -6.923 1.00 14.14 C ATOM 848 C PHE A 61 1.395 -5.271 -5.574 1.00 70.14 C ATOM 849 O PHE A 61 0.882 -4.788 -4.551 1.00 12.21 O ATOM 850 CB PHE A 61 2.474 -3.809 -7.354 1.00 55.43 C ATOM 851 CG PHE A 61 2.804 -2.579 -6.537 1.00 43.43 C ATOM 852 CD1 PHE A 61 2.292 -1.336 -6.888 1.00 12.15 C ATOM 853 CD2 PHE A 61 3.649 -2.662 -5.439 1.00 15.13 C ATOM 854 CE1 PHE A 61 2.610 -0.207 -6.157 1.00 0.10 C ATOM 855 CE2 PHE A 61 3.972 -1.534 -4.706 1.00 53.02 C ATOM 856 CZ PHE A 61 3.451 -0.306 -5.065 1.00 62.35 C ATOM 0 H PHE A 61 -0.295 -3.475 -6.014 1.00 60.42 H new ATOM 0 HA PHE A 61 1.069 -5.383 -7.669 1.00 14.14 H new ATOM 0 HB2 PHE A 61 3.329 -4.484 -7.317 1.00 55.43 H new ATOM 0 HB3 PHE A 61 2.351 -3.507 -8.394 1.00 55.43 H new ATOM 0 HD1 PHE A 61 1.637 -1.251 -7.743 1.00 12.15 H new ATOM 0 HD2 PHE A 61 4.060 -3.619 -5.153 1.00 15.13 H new ATOM 0 HE1 PHE A 61 2.201 0.752 -6.439 1.00 0.10 H new ATOM 0 HE2 PHE A 61 4.631 -1.613 -3.854 1.00 53.02 H new ATOM 0 HZ PHE A 61 3.701 0.575 -4.493 1.00 62.35 H new ATOM 866 N LEU A 62 2.093 -6.385 -5.588 1.00 61.11 N ATOM 867 CA LEU A 62 2.346 -7.177 -4.403 1.00 20.22 C ATOM 868 C LEU A 62 3.714 -6.826 -3.807 1.00 42.32 C ATOM 869 O LEU A 62 4.679 -6.576 -4.533 1.00 41.24 O ATOM 870 CB LEU A 62 2.189 -8.689 -4.752 1.00 71.22 C ATOM 871 CG LEU A 62 2.387 -9.734 -3.627 1.00 22.41 C ATOM 872 CD1 LEU A 62 1.649 -11.015 -3.979 1.00 5.53 C ATOM 873 CD2 LEU A 62 3.864 -10.064 -3.451 1.00 12.54 C ATOM 0 H LEU A 62 2.507 -6.773 -6.436 1.00 61.11 H new ATOM 0 HA LEU A 62 1.614 -6.948 -3.628 1.00 20.22 H new ATOM 0 HB2 LEU A 62 1.190 -8.832 -5.164 1.00 71.22 H new ATOM 0 HB3 LEU A 62 2.898 -8.920 -5.547 1.00 71.22 H new ATOM 0 HG LEU A 62 1.996 -9.312 -2.701 1.00 22.41 H new ATOM 0 HD11 LEU A 62 1.792 -11.747 -3.184 1.00 5.53 H new ATOM 0 HD12 LEU A 62 0.586 -10.803 -4.091 1.00 5.53 H new ATOM 0 HD13 LEU A 62 2.040 -11.415 -4.915 1.00 5.53 H new ATOM 0 HD21 LEU A 62 3.980 -10.800 -2.656 1.00 12.54 H new ATOM 0 HD22 LEU A 62 4.259 -10.470 -4.382 1.00 12.54 H new ATOM 0 HD23 LEU A 62 4.411 -9.158 -3.189 1.00 12.54 H new ATOM 885 N LEU A 63 3.764 -6.759 -2.502 1.00 23.20 N ATOM 886 CA LEU A 63 4.958 -6.430 -1.754 1.00 53.22 C ATOM 887 C LEU A 63 5.433 -7.669 -1.018 1.00 14.42 C ATOM 888 O LEU A 63 4.641 -8.317 -0.304 1.00 60.42 O ATOM 889 CB LEU A 63 4.683 -5.317 -0.702 1.00 51.53 C ATOM 890 CG LEU A 63 4.285 -3.900 -1.189 1.00 53.23 C ATOM 891 CD1 LEU A 63 2.931 -3.884 -1.882 1.00 15.31 C ATOM 892 CD2 LEU A 63 4.267 -2.938 -0.017 1.00 4.23 C ATOM 0 H LEU A 63 2.953 -6.936 -1.909 1.00 23.20 H new ATOM 0 HA LEU A 63 5.710 -6.071 -2.457 1.00 53.22 H new ATOM 0 HB2 LEU A 63 3.889 -5.674 -0.046 1.00 51.53 H new ATOM 0 HB3 LEU A 63 5.579 -5.214 -0.090 1.00 51.53 H new ATOM 0 HG LEU A 63 5.032 -3.589 -1.920 1.00 53.23 H new ATOM 0 HD11 LEU A 63 2.699 -2.869 -2.204 1.00 15.31 H new ATOM 0 HD12 LEU A 63 2.959 -4.542 -2.750 1.00 15.31 H new ATOM 0 HD13 LEU A 63 2.164 -4.229 -1.189 1.00 15.31 H new ATOM 0 HD21 LEU A 63 3.987 -1.944 -0.366 1.00 4.23 H new ATOM 0 HD22 LEU A 63 3.544 -3.280 0.723 1.00 4.23 H new ATOM 0 HD23 LEU A 63 5.258 -2.897 0.436 1.00 4.23 H new ATOM 904 N ASP A 64 6.682 -8.022 -1.200 1.00 43.22 N ATOM 905 CA ASP A 64 7.260 -9.159 -0.492 1.00 3.40 C ATOM 906 C ASP A 64 8.671 -8.824 -0.037 1.00 0.04 C ATOM 907 O ASP A 64 9.492 -9.699 0.219 1.00 64.51 O ATOM 908 CB ASP A 64 7.213 -10.467 -1.331 1.00 52.22 C ATOM 909 CG ASP A 64 8.104 -10.512 -2.565 1.00 74.24 C ATOM 910 OD1 ASP A 64 7.776 -9.891 -3.589 1.00 1.03 O ATOM 911 OD2 ASP A 64 9.112 -11.251 -2.561 1.00 64.44 O ATOM 0 H ASP A 64 7.325 -7.544 -1.831 1.00 43.22 H new ATOM 0 HA ASP A 64 6.650 -9.352 0.390 1.00 3.40 H new ATOM 0 HB2 ASP A 64 7.486 -11.299 -0.682 1.00 52.22 H new ATOM 0 HB3 ASP A 64 6.183 -10.633 -1.647 1.00 52.22 H new ATOM 916 N GLN A 65 8.925 -7.542 0.107 1.00 52.14 N ATOM 917 CA GLN A 65 10.208 -7.066 0.570 1.00 2.34 C ATOM 918 C GLN A 65 10.154 -6.959 2.096 1.00 61.22 C ATOM 919 O GLN A 65 9.092 -6.634 2.642 1.00 44.23 O ATOM 920 CB GLN A 65 10.583 -5.690 -0.046 1.00 52.41 C ATOM 921 CG GLN A 65 10.699 -5.649 -1.574 1.00 44.41 C ATOM 922 CD GLN A 65 9.359 -5.609 -2.293 1.00 21.12 C ATOM 923 OE1 GLN A 65 8.775 -6.637 -2.627 1.00 54.10 O ATOM 924 NE2 GLN A 65 8.871 -4.434 -2.541 1.00 74.40 N ATOM 0 H GLN A 65 8.250 -6.803 -0.093 1.00 52.14 H new ATOM 0 HA GLN A 65 10.977 -7.772 0.255 1.00 2.34 H new ATOM 0 HB2 GLN A 65 9.834 -4.960 0.262 1.00 52.41 H new ATOM 0 HB3 GLN A 65 11.534 -5.370 0.380 1.00 52.41 H new ATOM 0 HG2 GLN A 65 11.281 -4.773 -1.861 1.00 44.41 H new ATOM 0 HG3 GLN A 65 11.255 -6.525 -1.910 1.00 44.41 H new ATOM 0 HE21 GLN A 65 9.380 -3.599 -2.251 1.00 74.40 H new ATOM 0 HE22 GLN A 65 7.978 -4.345 -3.026 1.00 74.40 H new ATOM 933 N PRO A 66 11.291 -7.208 2.802 1.00 54.15 N ATOM 934 CA PRO A 66 11.340 -7.192 4.280 1.00 33.32 C ATOM 935 C PRO A 66 10.870 -5.865 4.841 1.00 33.44 C ATOM 936 O PRO A 66 10.122 -5.799 5.826 1.00 24.10 O ATOM 937 CB PRO A 66 12.824 -7.369 4.610 1.00 41.23 C ATOM 938 CG PRO A 66 13.455 -7.912 3.381 1.00 11.42 C ATOM 939 CD PRO A 66 12.609 -7.500 2.212 1.00 74.11 C ATOM 0 HA PRO A 66 10.696 -7.962 4.705 1.00 33.32 H new ATOM 0 HB2 PRO A 66 13.277 -6.419 4.894 1.00 41.23 H new ATOM 0 HB3 PRO A 66 12.958 -8.050 5.451 1.00 41.23 H new ATOM 0 HG2 PRO A 66 14.470 -7.530 3.272 1.00 11.42 H new ATOM 0 HG3 PRO A 66 13.527 -8.998 3.436 1.00 11.42 H new ATOM 0 HD2 PRO A 66 13.023 -6.625 1.710 1.00 74.11 H new ATOM 0 HD3 PRO A 66 12.545 -8.294 1.468 1.00 74.11 H new ATOM 947 N THR A 67 11.351 -4.821 4.252 1.00 13.54 N ATOM 948 CA THR A 67 10.971 -3.496 4.617 1.00 32.22 C ATOM 949 C THR A 67 10.719 -2.659 3.372 1.00 75.14 C ATOM 950 O THR A 67 11.642 -2.157 2.749 1.00 54.22 O ATOM 951 CB THR A 67 12.059 -2.845 5.505 1.00 65.20 C ATOM 952 OG1 THR A 67 12.231 -3.651 6.686 1.00 21.51 O ATOM 953 CG2 THR A 67 11.691 -1.412 5.904 1.00 64.35 C ATOM 0 H THR A 67 12.030 -4.865 3.492 1.00 13.54 H new ATOM 0 HA THR A 67 10.047 -3.544 5.193 1.00 32.22 H new ATOM 0 HB THR A 67 12.986 -2.794 4.934 1.00 65.20 H new ATOM 0 HG1 THR A 67 12.919 -3.251 7.258 1.00 21.51 H new ATOM 0 HG21 THR A 67 12.482 -0.993 6.526 1.00 64.35 H new ATOM 0 HG22 THR A 67 11.574 -0.803 5.007 1.00 64.35 H new ATOM 0 HG23 THR A 67 10.755 -1.419 6.462 1.00 64.35 H new ATOM 961 N THR A 68 9.482 -2.541 2.991 1.00 3.51 N ATOM 962 CA THR A 68 9.146 -1.727 1.865 1.00 41.43 C ATOM 963 C THR A 68 8.925 -0.305 2.380 1.00 10.54 C ATOM 964 O THR A 68 8.015 -0.061 3.179 1.00 63.33 O ATOM 965 CB THR A 68 7.880 -2.254 1.170 1.00 2.22 C ATOM 966 OG1 THR A 68 8.036 -3.667 0.934 1.00 33.15 O ATOM 967 CG2 THR A 68 7.668 -1.540 -0.165 1.00 61.14 C ATOM 0 H THR A 68 8.691 -2.998 3.444 1.00 3.51 H new ATOM 0 HA THR A 68 9.949 -1.747 1.128 1.00 41.43 H new ATOM 0 HB THR A 68 7.016 -2.068 1.808 1.00 2.22 H new ATOM 0 HG1 THR A 68 7.312 -3.984 0.355 1.00 33.15 H new ATOM 0 HG21 THR A 68 6.768 -1.925 -0.644 1.00 61.14 H new ATOM 0 HG22 THR A 68 7.558 -0.470 0.008 1.00 61.14 H new ATOM 0 HG23 THR A 68 8.527 -1.716 -0.812 1.00 61.14 H new ATOM 975 N THR A 69 9.780 0.606 1.979 1.00 33.32 N ATOM 976 CA THR A 69 9.696 1.956 2.469 1.00 11.04 C ATOM 977 C THR A 69 9.004 2.868 1.435 1.00 74.13 C ATOM 978 O THR A 69 9.476 3.012 0.286 1.00 43.31 O ATOM 979 CB THR A 69 11.098 2.485 2.826 1.00 34.50 C ATOM 980 OG1 THR A 69 11.775 1.500 3.643 1.00 42.11 O ATOM 981 CG2 THR A 69 10.987 3.781 3.616 1.00 20.41 C ATOM 0 H THR A 69 10.538 0.436 1.318 1.00 33.32 H new ATOM 0 HA THR A 69 9.091 1.960 3.376 1.00 11.04 H new ATOM 0 HB THR A 69 11.654 2.671 1.907 1.00 34.50 H new ATOM 0 HG1 THR A 69 12.670 1.826 3.875 1.00 42.11 H new ATOM 0 HG21 THR A 69 11.985 4.144 3.862 1.00 20.41 H new ATOM 0 HG22 THR A 69 10.466 4.528 3.017 1.00 20.41 H new ATOM 0 HG23 THR A 69 10.430 3.600 4.535 1.00 20.41 H new ATOM 989 N ALA A 70 7.900 3.458 1.849 1.00 2.02 N ATOM 990 CA ALA A 70 7.076 4.312 1.016 1.00 53.45 C ATOM 991 C ALA A 70 7.399 5.788 1.266 1.00 0.14 C ATOM 992 O ALA A 70 7.444 6.228 2.416 1.00 2.13 O ATOM 993 CB ALA A 70 5.612 4.041 1.347 1.00 31.14 C ATOM 0 H ALA A 70 7.542 3.354 2.798 1.00 2.02 H new ATOM 0 HA ALA A 70 7.275 4.095 -0.034 1.00 53.45 H new ATOM 0 HB1 ALA A 70 4.976 4.675 0.729 1.00 31.14 H new ATOM 0 HB2 ALA A 70 5.382 2.994 1.149 1.00 31.14 H new ATOM 0 HB3 ALA A 70 5.430 4.260 2.399 1.00 31.14 H new ATOM 999 N GLY A 71 7.637 6.533 0.194 1.00 20.42 N ATOM 1000 CA GLY A 71 7.922 7.961 0.285 1.00 50.04 C ATOM 1001 C GLY A 71 8.114 8.554 -1.103 1.00 44.03 C ATOM 1002 O GLY A 71 7.135 8.714 -1.851 1.00 53.55 O ATOM 0 H GLY A 71 7.638 6.168 -0.758 1.00 20.42 H new ATOM 0 HA2 GLY A 71 7.104 8.470 0.795 1.00 50.04 H new ATOM 0 HA3 GLY A 71 8.819 8.122 0.883 1.00 50.04 H new ATOM 1006 N ARG A 72 9.362 8.859 -1.455 1.00 73.34 N ATOM 1007 CA ARG A 72 9.723 9.332 -2.790 1.00 51.21 C ATOM 1008 C ARG A 72 10.929 8.540 -3.327 1.00 61.41 C ATOM 1009 O ARG A 72 10.771 7.546 -4.046 1.00 34.21 O ATOM 1010 CB ARG A 72 10.051 10.837 -2.838 1.00 3.14 C ATOM 1011 CG ARG A 72 8.943 11.764 -2.399 1.00 53.23 C ATOM 1012 CD ARG A 72 7.695 11.634 -3.259 1.00 74.24 C ATOM 1013 NE ARG A 72 7.962 11.921 -4.669 1.00 54.14 N ATOM 1014 CZ ARG A 72 7.034 12.202 -5.585 1.00 72.44 C ATOM 1015 NH1 ARG A 72 5.758 12.334 -5.235 1.00 55.21 N ATOM 1016 NH2 ARG A 72 7.399 12.372 -6.844 1.00 24.53 N ATOM 0 H ARG A 72 10.155 8.784 -0.818 1.00 73.34 H new ATOM 0 HA ARG A 72 8.845 9.170 -3.415 1.00 51.21 H new ATOM 0 HB2 ARG A 72 10.923 11.020 -2.210 1.00 3.14 H new ATOM 0 HB3 ARG A 72 10.333 11.096 -3.858 1.00 3.14 H new ATOM 0 HG2 ARG A 72 8.688 11.552 -1.361 1.00 53.23 H new ATOM 0 HG3 ARG A 72 9.300 12.793 -2.436 1.00 53.23 H new ATOM 0 HD2 ARG A 72 7.295 10.624 -3.165 1.00 74.24 H new ATOM 0 HD3 ARG A 72 6.929 12.316 -2.890 1.00 74.24 H new ATOM 0 HE ARG A 72 8.935 11.905 -4.976 1.00 54.14 H new ATOM 0 HH11 ARG A 72 5.482 12.220 -4.260 1.00 55.21 H new ATOM 0 HH12 ARG A 72 5.055 12.549 -5.942 1.00 55.21 H new ATOM 0 HH21 ARG A 72 8.381 12.288 -7.106 1.00 24.53 H new ATOM 0 HH22 ARG A 72 6.698 12.587 -7.553 1.00 24.53 H new ATOM 1030 N HIS A 73 12.123 8.932 -2.918 1.00 51.53 N ATOM 1031 CA HIS A 73 13.346 8.306 -3.404 1.00 50.01 C ATOM 1032 C HIS A 73 14.485 8.368 -2.350 1.00 52.10 C ATOM 1033 O HIS A 73 14.963 7.325 -1.938 1.00 30.02 O ATOM 1034 CB HIS A 73 13.758 8.869 -4.821 1.00 22.55 C ATOM 1035 CG HIS A 73 15.084 8.381 -5.372 1.00 40.42 C ATOM 1036 ND1 HIS A 73 15.215 7.544 -6.458 1.00 31.11 N ATOM 1037 CD2 HIS A 73 16.349 8.665 -4.975 1.00 14.02 C ATOM 1038 CE1 HIS A 73 16.518 7.348 -6.678 1.00 35.41 C ATOM 1039 NE2 HIS A 73 17.254 8.012 -5.796 1.00 15.45 N ATOM 0 H HIS A 73 12.275 9.685 -2.247 1.00 51.53 H new ATOM 0 HA HIS A 73 13.147 7.245 -3.552 1.00 50.01 H new ATOM 0 HB2 HIS A 73 12.975 8.612 -5.534 1.00 22.55 H new ATOM 0 HB3 HIS A 73 13.790 9.957 -4.762 1.00 22.55 H new ATOM 0 HD2 HIS A 73 16.611 9.304 -4.144 1.00 14.02 H new ATOM 0 HE1 HIS A 73 16.919 6.731 -7.469 1.00 35.41 H new ATOM 0 HE2 HIS A 73 18.272 8.037 -5.735 1.00 15.45 H new ATOM 1047 N PRO A 74 14.959 9.580 -1.909 1.00 3.43 N ATOM 1048 CA PRO A 74 16.031 9.694 -0.889 1.00 50.32 C ATOM 1049 C PRO A 74 15.801 8.858 0.387 1.00 55.54 C ATOM 1050 O PRO A 74 16.748 8.294 0.944 1.00 23.41 O ATOM 1051 CB PRO A 74 16.019 11.177 -0.530 1.00 14.15 C ATOM 1052 CG PRO A 74 15.564 11.852 -1.764 1.00 22.22 C ATOM 1053 CD PRO A 74 14.572 10.927 -2.408 1.00 44.43 C ATOM 0 HA PRO A 74 16.971 9.316 -1.290 1.00 50.32 H new ATOM 0 HB2 PRO A 74 15.346 11.378 0.304 1.00 14.15 H new ATOM 0 HB3 PRO A 74 17.009 11.521 -0.231 1.00 14.15 H new ATOM 0 HG2 PRO A 74 15.107 12.814 -1.535 1.00 22.22 H new ATOM 0 HG3 PRO A 74 16.403 12.049 -2.432 1.00 22.22 H new ATOM 0 HD2 PRO A 74 13.550 11.179 -2.125 1.00 44.43 H new ATOM 0 HD3 PRO A 74 14.624 10.980 -3.495 1.00 44.43 H new ATOM 1061 N GLU A 75 14.570 8.771 0.847 1.00 51.22 N ATOM 1062 CA GLU A 75 14.291 8.049 2.083 1.00 32.41 C ATOM 1063 C GLU A 75 13.548 6.749 1.845 1.00 12.43 C ATOM 1064 O GLU A 75 13.224 6.043 2.802 1.00 74.11 O ATOM 1065 CB GLU A 75 13.441 8.891 3.017 1.00 75.01 C ATOM 1066 CG GLU A 75 14.041 10.205 3.436 1.00 15.25 C ATOM 1067 CD GLU A 75 13.122 10.933 4.359 1.00 53.13 C ATOM 1068 OE1 GLU A 75 12.242 11.673 3.876 1.00 23.33 O ATOM 1069 OE2 GLU A 75 13.235 10.752 5.594 1.00 62.11 O ATOM 0 H GLU A 75 13.753 9.183 0.395 1.00 51.22 H new ATOM 0 HA GLU A 75 15.264 7.831 2.524 1.00 32.41 H new ATOM 0 HB2 GLU A 75 12.485 9.087 2.531 1.00 75.01 H new ATOM 0 HB3 GLU A 75 13.230 8.307 3.913 1.00 75.01 H new ATOM 0 HG2 GLU A 75 14.998 10.033 3.928 1.00 15.25 H new ATOM 0 HG3 GLU A 75 14.241 10.817 2.556 1.00 15.25 H new ATOM 1076 N SER A 76 13.295 6.400 0.619 1.00 2.40 N ATOM 1077 CA SER A 76 12.440 5.274 0.376 1.00 51.13 C ATOM 1078 C SER A 76 12.791 4.526 -0.897 1.00 51.22 C ATOM 1079 O SER A 76 13.770 4.835 -1.564 1.00 64.41 O ATOM 1080 CB SER A 76 11.018 5.783 0.325 1.00 1.35 C ATOM 1081 OG SER A 76 10.922 6.834 -0.602 1.00 75.01 O ATOM 0 H SER A 76 13.658 6.866 -0.213 1.00 2.40 H new ATOM 0 HA SER A 76 12.570 4.553 1.183 1.00 51.13 H new ATOM 0 HB2 SER A 76 10.343 4.975 0.044 1.00 1.35 H new ATOM 0 HB3 SER A 76 10.710 6.127 1.312 1.00 1.35 H new ATOM 0 HG SER A 76 10.358 6.557 -1.354 1.00 75.01 H new ATOM 1087 N ASP A 77 11.986 3.544 -1.224 1.00 12.11 N ATOM 1088 CA ASP A 77 12.198 2.740 -2.409 1.00 43.20 C ATOM 1089 C ASP A 77 11.238 3.166 -3.506 1.00 12.03 C ATOM 1090 O ASP A 77 11.610 3.306 -4.675 1.00 52.40 O ATOM 1091 CB ASP A 77 11.989 1.275 -2.066 1.00 43.14 C ATOM 1092 CG ASP A 77 12.264 0.351 -3.217 1.00 52.14 C ATOM 1093 OD1 ASP A 77 13.445 0.117 -3.535 1.00 51.20 O ATOM 1094 OD2 ASP A 77 11.311 -0.206 -3.790 1.00 64.40 O ATOM 0 H ASP A 77 11.166 3.278 -0.679 1.00 12.11 H new ATOM 0 HA ASP A 77 13.217 2.883 -2.767 1.00 43.20 H new ATOM 0 HB2 ASP A 77 12.638 1.008 -1.232 1.00 43.14 H new ATOM 0 HB3 ASP A 77 10.962 1.130 -1.730 1.00 43.14 H new ATOM 1099 N ILE A 78 10.009 3.404 -3.125 1.00 61.50 N ATOM 1100 CA ILE A 78 8.987 3.817 -4.064 1.00 61.41 C ATOM 1101 C ILE A 78 8.436 5.189 -3.705 1.00 12.53 C ATOM 1102 O ILE A 78 8.481 5.604 -2.525 1.00 64.24 O ATOM 1103 CB ILE A 78 7.820 2.793 -4.146 1.00 21.13 C ATOM 1104 CG1 ILE A 78 7.296 2.443 -2.737 1.00 24.45 C ATOM 1105 CG2 ILE A 78 8.251 1.543 -4.903 1.00 14.13 C ATOM 1106 CD1 ILE A 78 6.056 1.569 -2.730 1.00 10.31 C ATOM 0 H ILE A 78 9.685 3.319 -2.161 1.00 61.50 H new ATOM 0 HA ILE A 78 9.466 3.866 -5.042 1.00 61.41 H new ATOM 0 HB ILE A 78 7.001 3.252 -4.699 1.00 21.13 H new ATOM 0 HG12 ILE A 78 8.087 1.936 -2.184 1.00 24.45 H new ATOM 0 HG13 ILE A 78 7.077 3.368 -2.204 1.00 24.45 H new ATOM 0 HG21 ILE A 78 7.419 0.840 -4.948 1.00 14.13 H new ATOM 0 HG22 ILE A 78 8.551 1.816 -5.915 1.00 14.13 H new ATOM 0 HG23 ILE A 78 9.092 1.078 -4.388 1.00 14.13 H new ATOM 0 HD11 ILE A 78 5.756 1.372 -1.701 1.00 10.31 H new ATOM 0 HD12 ILE A 78 5.247 2.081 -3.252 1.00 10.31 H new ATOM 0 HD13 ILE A 78 6.273 0.626 -3.232 1.00 10.31 H new ATOM 1118 N PHE A 79 7.951 5.889 -4.707 1.00 45.10 N ATOM 1119 CA PHE A 79 7.336 7.189 -4.538 1.00 24.44 C ATOM 1120 C PHE A 79 5.840 7.050 -4.692 1.00 3.25 C ATOM 1121 O PHE A 79 5.382 6.417 -5.643 1.00 54.12 O ATOM 1122 CB PHE A 79 7.929 8.240 -5.519 1.00 15.40 C ATOM 1123 CG PHE A 79 7.907 7.878 -6.984 1.00 44.44 C ATOM 1124 CD1 PHE A 79 8.963 7.187 -7.552 1.00 45.23 C ATOM 1125 CD2 PHE A 79 6.849 8.248 -7.791 1.00 73.42 C ATOM 1126 CE1 PHE A 79 8.957 6.871 -8.891 1.00 52.24 C ATOM 1127 CE2 PHE A 79 6.837 7.939 -9.130 1.00 60.43 C ATOM 1128 CZ PHE A 79 7.892 7.248 -9.682 1.00 41.42 C ATOM 0 H PHE A 79 7.973 5.568 -5.675 1.00 45.10 H new ATOM 0 HA PHE A 79 7.554 7.559 -3.536 1.00 24.44 H new ATOM 0 HB2 PHE A 79 7.383 9.174 -5.390 1.00 15.40 H new ATOM 0 HB3 PHE A 79 8.962 8.432 -5.230 1.00 15.40 H new ATOM 0 HD1 PHE A 79 9.801 6.893 -6.937 1.00 45.23 H new ATOM 0 HD2 PHE A 79 6.018 8.789 -7.363 1.00 73.42 H new ATOM 0 HE1 PHE A 79 9.785 6.328 -9.322 1.00 52.24 H new ATOM 0 HE2 PHE A 79 6.003 8.237 -9.747 1.00 60.43 H new ATOM 0 HZ PHE A 79 7.886 7.001 -10.733 1.00 41.42 H new ATOM 1138 N LEU A 80 5.084 7.576 -3.734 1.00 12.41 N ATOM 1139 CA LEU A 80 3.654 7.422 -3.737 1.00 11.23 C ATOM 1140 C LEU A 80 2.910 8.517 -2.950 1.00 14.30 C ATOM 1141 O LEU A 80 1.692 8.458 -2.791 1.00 22.31 O ATOM 1142 CB LEU A 80 3.215 5.994 -3.305 1.00 42.12 C ATOM 1143 CG LEU A 80 3.643 5.465 -1.921 1.00 41.14 C ATOM 1144 CD1 LEU A 80 2.891 4.182 -1.602 1.00 3.02 C ATOM 1145 CD2 LEU A 80 5.120 5.170 -1.903 1.00 31.44 C ATOM 0 H LEU A 80 5.450 8.113 -2.948 1.00 12.41 H new ATOM 0 HA LEU A 80 3.353 7.554 -4.776 1.00 11.23 H new ATOM 0 HB2 LEU A 80 2.126 5.957 -3.349 1.00 42.12 H new ATOM 0 HB3 LEU A 80 3.588 5.295 -4.054 1.00 42.12 H new ATOM 0 HG LEU A 80 3.414 6.230 -1.179 1.00 41.14 H new ATOM 0 HD11 LEU A 80 3.198 3.814 -0.623 1.00 3.02 H new ATOM 0 HD12 LEU A 80 1.819 4.381 -1.595 1.00 3.02 H new ATOM 0 HD13 LEU A 80 3.116 3.431 -2.359 1.00 3.02 H new ATOM 0 HD21 LEU A 80 5.405 4.798 -0.919 1.00 31.44 H new ATOM 0 HD22 LEU A 80 5.350 4.417 -2.656 1.00 31.44 H new ATOM 0 HD23 LEU A 80 5.676 6.082 -2.121 1.00 31.44 H new ATOM 1157 N ASP A 81 3.606 9.513 -2.482 1.00 65.12 N ATOM 1158 CA ASP A 81 2.907 10.632 -1.852 1.00 71.42 C ATOM 1159 C ASP A 81 3.276 11.880 -2.573 1.00 71.12 C ATOM 1160 O ASP A 81 4.464 12.151 -2.817 1.00 33.22 O ATOM 1161 CB ASP A 81 3.144 10.804 -0.337 1.00 0.55 C ATOM 1162 CG ASP A 81 2.134 11.817 0.284 1.00 20.15 C ATOM 1163 OD1 ASP A 81 2.229 13.055 0.004 1.00 25.11 O ATOM 1164 OD2 ASP A 81 1.220 11.379 1.029 1.00 22.22 O ATOM 0 H ASP A 81 4.623 9.589 -2.514 1.00 65.12 H new ATOM 0 HA ASP A 81 1.843 10.408 -1.932 1.00 71.42 H new ATOM 0 HB2 ASP A 81 3.046 9.839 0.160 1.00 0.55 H new ATOM 0 HB3 ASP A 81 4.163 11.150 -0.163 1.00 0.55 H new ATOM 1169 N ASP A 82 2.282 12.600 -2.958 1.00 13.24 N ATOM 1170 CA ASP A 82 2.438 13.811 -3.732 1.00 1.43 C ATOM 1171 C ASP A 82 1.719 14.962 -3.102 1.00 74.52 C ATOM 1172 O ASP A 82 1.801 16.094 -3.593 1.00 15.51 O ATOM 1173 CB ASP A 82 1.840 13.652 -5.107 1.00 51.53 C ATOM 1174 CG ASP A 82 2.578 12.715 -6.027 1.00 73.12 C ATOM 1175 OD1 ASP A 82 3.577 13.133 -6.646 1.00 61.52 O ATOM 1176 OD2 ASP A 82 2.157 11.561 -6.192 1.00 13.32 O ATOM 0 H ASP A 82 1.311 12.371 -2.746 1.00 13.24 H new ATOM 0 HA ASP A 82 3.510 14.000 -3.780 1.00 1.43 H new ATOM 0 HB2 ASP A 82 0.815 13.297 -5.000 1.00 51.53 H new ATOM 0 HB3 ASP A 82 1.790 14.633 -5.579 1.00 51.53 H new ATOM 1181 N VAL A 83 1.012 14.714 -2.039 1.00 32.35 N ATOM 1182 CA VAL A 83 0.209 15.761 -1.477 1.00 41.14 C ATOM 1183 C VAL A 83 1.041 16.565 -0.509 1.00 75.51 C ATOM 1184 O VAL A 83 0.967 17.798 -0.467 1.00 4.04 O ATOM 1185 CB VAL A 83 -1.127 15.239 -0.820 1.00 2.42 C ATOM 1186 CG1 VAL A 83 -0.889 14.302 0.362 1.00 45.54 C ATOM 1187 CG2 VAL A 83 -2.034 16.401 -0.424 1.00 24.15 C ATOM 0 H VAL A 83 0.973 13.818 -1.553 1.00 32.35 H new ATOM 0 HA VAL A 83 -0.115 16.407 -2.293 1.00 41.14 H new ATOM 0 HB VAL A 83 -1.632 14.647 -1.583 1.00 2.42 H new ATOM 0 HG11 VAL A 83 -1.847 13.979 0.769 1.00 45.54 H new ATOM 0 HG12 VAL A 83 -0.324 13.432 0.028 1.00 45.54 H new ATOM 0 HG13 VAL A 83 -0.325 14.826 1.134 1.00 45.54 H new ATOM 0 HG21 VAL A 83 -2.947 16.012 0.026 1.00 24.15 H new ATOM 0 HG22 VAL A 83 -1.517 17.037 0.295 1.00 24.15 H new ATOM 0 HG23 VAL A 83 -2.286 16.984 -1.310 1.00 24.15 H new ATOM 1197 N THR A 84 1.886 15.877 0.204 1.00 70.05 N ATOM 1198 CA THR A 84 2.747 16.473 1.218 1.00 44.51 C ATOM 1199 C THR A 84 3.727 15.411 1.688 1.00 1.32 C ATOM 1200 O THR A 84 3.493 14.754 2.679 1.00 23.13 O ATOM 1201 CB THR A 84 1.951 16.979 2.502 1.00 42.42 C ATOM 1202 OG1 THR A 84 0.831 17.812 2.149 1.00 12.40 O ATOM 1203 CG2 THR A 84 2.867 17.777 3.434 1.00 3.42 C ATOM 0 H THR A 84 2.008 14.869 0.105 1.00 70.05 H new ATOM 0 HA THR A 84 3.233 17.335 0.760 1.00 44.51 H new ATOM 0 HB THR A 84 1.585 16.085 3.008 1.00 42.42 H new ATOM 0 HG1 THR A 84 0.949 18.149 1.236 1.00 12.40 H new ATOM 0 HG21 THR A 84 2.300 18.111 4.303 1.00 3.42 H new ATOM 0 HG22 THR A 84 3.693 17.145 3.761 1.00 3.42 H new ATOM 0 HG23 THR A 84 3.261 18.643 2.903 1.00 3.42 H new ATOM 1211 N VAL A 85 4.778 15.186 0.990 1.00 41.05 N ATOM 1212 CA VAL A 85 5.662 14.187 1.478 1.00 3.13 C ATOM 1213 C VAL A 85 6.585 14.791 2.543 1.00 40.12 C ATOM 1214 O VAL A 85 7.476 15.597 2.267 1.00 13.34 O ATOM 1215 CB VAL A 85 6.388 13.383 0.364 1.00 41.23 C ATOM 1216 CG1 VAL A 85 7.236 14.272 -0.526 1.00 22.23 C ATOM 1217 CG2 VAL A 85 7.202 12.246 0.965 1.00 63.24 C ATOM 0 H VAL A 85 5.042 15.651 0.122 1.00 41.05 H new ATOM 0 HA VAL A 85 5.067 13.415 1.965 1.00 3.13 H new ATOM 0 HB VAL A 85 5.622 12.947 -0.278 1.00 41.23 H new ATOM 0 HG11 VAL A 85 7.723 13.665 -1.289 1.00 22.23 H new ATOM 0 HG12 VAL A 85 6.602 15.017 -1.006 1.00 22.23 H new ATOM 0 HG13 VAL A 85 7.993 14.774 0.076 1.00 22.23 H new ATOM 0 HG21 VAL A 85 7.702 11.696 0.168 1.00 63.24 H new ATOM 0 HG22 VAL A 85 7.947 12.654 1.648 1.00 63.24 H new ATOM 0 HG23 VAL A 85 6.540 11.573 1.510 1.00 63.24 H new ATOM 1227 N SER A 86 6.272 14.456 3.771 1.00 60.32 N ATOM 1228 CA SER A 86 6.947 14.981 4.934 1.00 72.52 C ATOM 1229 C SER A 86 8.312 14.328 5.154 1.00 51.20 C ATOM 1230 O SER A 86 9.307 15.005 5.406 1.00 2.31 O ATOM 1231 CB SER A 86 6.033 14.772 6.145 1.00 31.30 C ATOM 1232 OG SER A 86 4.792 15.468 5.968 1.00 62.41 O ATOM 0 H SER A 86 5.526 13.798 3.995 1.00 60.32 H new ATOM 0 HA SER A 86 7.144 16.043 4.786 1.00 72.52 H new ATOM 0 HB2 SER A 86 5.842 13.708 6.284 1.00 31.30 H new ATOM 0 HB3 SER A 86 6.530 15.127 7.048 1.00 31.30 H new ATOM 0 HG SER A 86 4.093 14.830 5.713 1.00 62.41 H new ATOM 1238 N ARG A 87 8.330 13.031 5.024 1.00 23.02 N ATOM 1239 CA ARG A 87 9.480 12.172 5.241 1.00 61.14 C ATOM 1240 C ARG A 87 9.101 10.858 4.645 1.00 24.42 C ATOM 1241 O ARG A 87 8.150 10.826 3.855 1.00 54.43 O ATOM 1242 CB ARG A 87 9.758 11.968 6.755 1.00 2.32 C ATOM 1243 CG ARG A 87 10.571 13.052 7.446 1.00 53.22 C ATOM 1244 CD ARG A 87 11.919 13.184 6.781 1.00 55.23 C ATOM 1245 NE ARG A 87 12.890 13.928 7.573 1.00 34.41 N ATOM 1246 CZ ARG A 87 14.211 13.687 7.552 1.00 30.53 C ATOM 1247 NH1 ARG A 87 14.700 12.689 6.809 1.00 54.34 N ATOM 1248 NH2 ARG A 87 15.033 14.425 8.289 1.00 73.51 N ATOM 0 H ARG A 87 7.499 12.507 4.748 1.00 23.02 H new ATOM 0 HA ARG A 87 10.377 12.607 4.800 1.00 61.14 H new ATOM 0 HB2 ARG A 87 8.801 11.879 7.269 1.00 2.32 H new ATOM 0 HB3 ARG A 87 10.278 11.018 6.882 1.00 2.32 H new ATOM 0 HG2 ARG A 87 10.039 14.002 7.401 1.00 53.22 H new ATOM 0 HG3 ARG A 87 10.698 12.807 8.501 1.00 53.22 H new ATOM 0 HD2 ARG A 87 12.314 12.188 6.579 1.00 55.23 H new ATOM 0 HD3 ARG A 87 11.793 13.679 5.818 1.00 55.23 H new ATOM 0 HE ARG A 87 12.547 14.674 8.178 1.00 34.41 H new ATOM 0 HH11 ARG A 87 14.069 12.108 6.256 1.00 54.34 H new ATOM 0 HH12 ARG A 87 15.704 12.508 6.795 1.00 54.34 H new ATOM 0 HH21 ARG A 87 14.661 15.175 8.871 1.00 73.51 H new ATOM 0 HH22 ARG A 87 16.036 14.242 8.273 1.00 73.51 H new ATOM 1262 N ARG A 88 9.862 9.793 4.927 1.00 64.15 N ATOM 1263 CA ARG A 88 9.371 8.453 4.618 1.00 13.53 C ATOM 1264 C ARG A 88 7.996 8.336 5.261 1.00 15.02 C ATOM 1265 O ARG A 88 7.827 8.629 6.446 1.00 74.11 O ATOM 1266 CB ARG A 88 10.329 7.285 5.040 1.00 4.41 C ATOM 1267 CG ARG A 88 10.731 7.182 6.522 1.00 1.40 C ATOM 1268 CD ARG A 88 11.717 8.261 6.925 1.00 45.23 C ATOM 1269 NE ARG A 88 12.170 8.137 8.302 1.00 52.32 N ATOM 1270 CZ ARG A 88 13.053 8.961 8.880 1.00 34.14 C ATOM 1271 NH1 ARG A 88 13.593 9.974 8.181 1.00 52.23 N ATOM 1272 NH2 ARG A 88 13.410 8.769 10.140 1.00 4.45 N ATOM 0 H ARG A 88 10.788 9.832 5.354 1.00 64.15 H new ATOM 0 HA ARG A 88 9.318 8.338 3.535 1.00 13.53 H new ATOM 0 HB2 ARG A 88 9.855 6.345 4.756 1.00 4.41 H new ATOM 0 HB3 ARG A 88 11.242 7.372 4.451 1.00 4.41 H new ATOM 0 HG2 ARG A 88 9.839 7.256 7.144 1.00 1.40 H new ATOM 0 HG3 ARG A 88 11.170 6.202 6.710 1.00 1.40 H new ATOM 0 HD2 ARG A 88 12.580 8.222 6.260 1.00 45.23 H new ATOM 0 HD3 ARG A 88 11.253 9.238 6.788 1.00 45.23 H new ATOM 0 HE ARG A 88 11.791 7.374 8.863 1.00 52.32 H new ATOM 0 HH11 ARG A 88 13.331 10.118 7.206 1.00 52.23 H new ATOM 0 HH12 ARG A 88 14.265 10.599 8.626 1.00 52.23 H new ATOM 0 HH21 ARG A 88 13.012 7.994 10.670 1.00 4.45 H new ATOM 0 HH22 ARG A 88 14.083 9.396 10.581 1.00 4.45 H new ATOM 1286 N HIS A 89 7.048 7.971 4.476 1.00 62.34 N ATOM 1287 CA HIS A 89 5.655 8.123 4.809 1.00 32.54 C ATOM 1288 C HIS A 89 5.092 6.875 5.471 1.00 15.40 C ATOM 1289 O HIS A 89 4.461 6.945 6.527 1.00 44.22 O ATOM 1290 CB HIS A 89 4.941 8.452 3.506 1.00 43.24 C ATOM 1291 CG HIS A 89 3.572 9.005 3.616 1.00 2.51 C ATOM 1292 ND1 HIS A 89 3.302 10.099 4.392 1.00 52.25 N ATOM 1293 CD2 HIS A 89 2.478 8.663 2.933 1.00 52.21 C ATOM 1294 CE1 HIS A 89 2.048 10.408 4.140 1.00 2.44 C ATOM 1295 NE2 HIS A 89 1.501 9.573 3.256 1.00 3.42 N ATOM 0 H HIS A 89 7.209 7.548 3.562 1.00 62.34 H new ATOM 0 HA HIS A 89 5.512 8.919 5.540 1.00 32.54 H new ATOM 0 HB2 HIS A 89 5.553 9.166 2.955 1.00 43.24 H new ATOM 0 HB3 HIS A 89 4.893 7.543 2.906 1.00 43.24 H new ATOM 0 HD1 HIS A 89 3.939 10.575 5.031 1.00 52.25 H new ATOM 0 HD2 HIS A 89 2.379 7.829 2.255 1.00 52.21 H new ATOM 0 HE1 HIS A 89 1.525 11.237 4.594 1.00 2.44 H new ATOM 1303 N ALA A 90 5.325 5.746 4.876 1.00 60.31 N ATOM 1304 CA ALA A 90 4.842 4.509 5.445 1.00 61.44 C ATOM 1305 C ALA A 90 5.879 3.427 5.303 1.00 61.03 C ATOM 1306 O ALA A 90 6.610 3.383 4.306 1.00 20.32 O ATOM 1307 CB ALA A 90 3.532 4.086 4.785 1.00 53.15 C ATOM 0 H ALA A 90 5.842 5.647 4.002 1.00 60.31 H new ATOM 0 HA ALA A 90 4.652 4.670 6.506 1.00 61.44 H new ATOM 0 HB1 ALA A 90 3.186 3.152 5.228 1.00 53.15 H new ATOM 0 HB2 ALA A 90 2.781 4.861 4.938 1.00 53.15 H new ATOM 0 HB3 ALA A 90 3.693 3.943 3.716 1.00 53.15 H new ATOM 1313 N GLU A 91 5.988 2.593 6.291 1.00 44.43 N ATOM 1314 CA GLU A 91 6.884 1.476 6.231 1.00 41.42 C ATOM 1315 C GLU A 91 6.090 0.203 6.309 1.00 1.22 C ATOM 1316 O GLU A 91 5.286 0.021 7.222 1.00 65.42 O ATOM 1317 CB GLU A 91 7.883 1.504 7.385 1.00 73.30 C ATOM 1318 CG GLU A 91 8.856 2.664 7.369 1.00 30.45 C ATOM 1319 CD GLU A 91 9.802 2.613 8.540 1.00 71.13 C ATOM 1320 OE1 GLU A 91 10.444 1.561 8.755 1.00 43.24 O ATOM 1321 OE2 GLU A 91 9.955 3.634 9.257 1.00 32.02 O ATOM 0 H GLU A 91 5.460 2.666 7.161 1.00 44.43 H new ATOM 0 HA GLU A 91 7.435 1.531 5.292 1.00 41.42 H new ATOM 0 HB2 GLU A 91 7.329 1.529 8.323 1.00 73.30 H new ATOM 0 HB3 GLU A 91 8.451 0.574 7.375 1.00 73.30 H new ATOM 0 HG2 GLU A 91 9.426 2.648 6.440 1.00 30.45 H new ATOM 0 HG3 GLU A 91 8.303 3.603 7.388 1.00 30.45 H new ATOM 1328 N PHE A 92 6.304 -0.670 5.376 1.00 62.24 N ATOM 1329 CA PHE A 92 5.658 -1.953 5.401 1.00 25.01 C ATOM 1330 C PHE A 92 6.717 -2.967 5.732 1.00 13.11 C ATOM 1331 O PHE A 92 7.645 -3.184 4.942 1.00 0.44 O ATOM 1332 CB PHE A 92 5.030 -2.285 4.035 1.00 21.44 C ATOM 1333 CG PHE A 92 4.014 -1.283 3.544 1.00 3.51 C ATOM 1334 CD1 PHE A 92 4.408 -0.171 2.810 1.00 2.33 C ATOM 1335 CD2 PHE A 92 2.667 -1.459 3.807 1.00 72.12 C ATOM 1336 CE1 PHE A 92 3.479 0.743 2.355 1.00 43.30 C ATOM 1337 CE2 PHE A 92 1.732 -0.549 3.353 1.00 31.15 C ATOM 1338 CZ PHE A 92 2.138 0.554 2.627 1.00 72.34 C ATOM 0 H PHE A 92 6.925 -0.520 4.580 1.00 62.24 H new ATOM 0 HA PHE A 92 4.855 -1.956 6.138 1.00 25.01 H new ATOM 0 HB2 PHE A 92 5.826 -2.366 3.295 1.00 21.44 H new ATOM 0 HB3 PHE A 92 4.553 -3.263 4.098 1.00 21.44 H new ATOM 0 HD1 PHE A 92 5.455 -0.020 2.593 1.00 2.33 H new ATOM 0 HD2 PHE A 92 2.342 -2.319 4.374 1.00 72.12 H new ATOM 0 HE1 PHE A 92 3.800 1.604 1.788 1.00 43.30 H new ATOM 0 HE2 PHE A 92 0.684 -0.700 3.566 1.00 31.15 H new ATOM 0 HZ PHE A 92 1.408 1.267 2.273 1.00 72.34 H new ATOM 1348 N ARG A 93 6.621 -3.558 6.887 1.00 44.31 N ATOM 1349 CA ARG A 93 7.610 -4.499 7.321 1.00 34.11 C ATOM 1350 C ARG A 93 6.949 -5.802 7.645 1.00 32.02 C ATOM 1351 O ARG A 93 6.030 -5.866 8.465 1.00 53.20 O ATOM 1352 CB ARG A 93 8.394 -3.957 8.524 1.00 11.51 C ATOM 1353 CG ARG A 93 9.072 -2.625 8.239 1.00 63.24 C ATOM 1354 CD ARG A 93 9.955 -2.153 9.380 1.00 11.21 C ATOM 1355 NE ARG A 93 9.237 -2.026 10.653 1.00 24.53 N ATOM 1356 CZ ARG A 93 9.346 -0.986 11.492 1.00 1.15 C ATOM 1357 NH1 ARG A 93 9.896 0.166 11.091 1.00 64.43 N ATOM 1358 NH2 ARG A 93 8.818 -1.073 12.699 1.00 5.35 N ATOM 0 H ARG A 93 5.861 -3.403 7.550 1.00 44.31 H new ATOM 0 HA ARG A 93 8.327 -4.660 6.516 1.00 34.11 H new ATOM 0 HB2 ARG A 93 7.716 -3.840 9.370 1.00 11.51 H new ATOM 0 HB3 ARG A 93 9.148 -4.687 8.818 1.00 11.51 H new ATOM 0 HG2 ARG A 93 9.674 -2.716 7.335 1.00 63.24 H new ATOM 0 HG3 ARG A 93 8.310 -1.871 8.040 1.00 63.24 H new ATOM 0 HD2 ARG A 93 10.781 -2.853 9.505 1.00 11.21 H new ATOM 0 HD3 ARG A 93 10.391 -1.189 9.118 1.00 11.21 H new ATOM 0 HE ARG A 93 8.609 -2.784 10.919 1.00 24.53 H new ATOM 0 HH11 ARG A 93 10.239 0.262 10.135 1.00 64.43 H new ATOM 0 HH12 ARG A 93 9.972 0.948 11.741 1.00 64.43 H new ATOM 0 HH21 ARG A 93 8.334 -1.925 12.984 1.00 5.35 H new ATOM 0 HH22 ARG A 93 8.894 -0.289 13.347 1.00 5.35 H new ATOM 1372 N ILE A 94 7.402 -6.837 7.033 1.00 3.54 N ATOM 1373 CA ILE A 94 6.774 -8.103 7.212 1.00 15.34 C ATOM 1374 C ILE A 94 7.691 -9.102 7.886 1.00 12.30 C ATOM 1375 O ILE A 94 8.830 -9.318 7.472 1.00 32.42 O ATOM 1376 CB ILE A 94 6.094 -8.649 5.886 1.00 50.45 C ATOM 1377 CG1 ILE A 94 7.035 -8.647 4.641 1.00 23.02 C ATOM 1378 CG2 ILE A 94 4.838 -7.851 5.567 1.00 24.42 C ATOM 1379 CD1 ILE A 94 8.051 -9.767 4.572 1.00 3.20 C ATOM 0 H ILE A 94 8.205 -6.836 6.404 1.00 3.54 H new ATOM 0 HA ILE A 94 5.946 -7.949 7.904 1.00 15.34 H new ATOM 0 HB ILE A 94 5.847 -9.691 6.092 1.00 50.45 H new ATOM 0 HG12 ILE A 94 6.417 -8.689 3.744 1.00 23.02 H new ATOM 0 HG13 ILE A 94 7.569 -7.697 4.616 1.00 23.02 H new ATOM 0 HG21 ILE A 94 4.383 -8.238 4.655 1.00 24.42 H new ATOM 0 HG22 ILE A 94 4.131 -7.941 6.391 1.00 24.42 H new ATOM 0 HG23 ILE A 94 5.099 -6.802 5.426 1.00 24.42 H new ATOM 0 HD11 ILE A 94 8.647 -9.662 3.666 1.00 3.20 H new ATOM 0 HD12 ILE A 94 8.704 -9.720 5.443 1.00 3.20 H new ATOM 0 HD13 ILE A 94 7.534 -10.727 4.557 1.00 3.20 H new ATOM 1391 N ASN A 95 7.229 -9.610 8.994 1.00 44.15 N ATOM 1392 CA ASN A 95 7.927 -10.599 9.747 1.00 1.35 C ATOM 1393 C ASN A 95 7.048 -11.819 9.793 1.00 43.41 C ATOM 1394 O ASN A 95 5.827 -11.683 9.782 1.00 22.21 O ATOM 1395 CB ASN A 95 8.246 -10.081 11.168 1.00 54.32 C ATOM 1396 CG ASN A 95 8.951 -11.116 12.033 1.00 54.25 C ATOM 1397 OD1 ASN A 95 8.305 -11.898 12.709 1.00 11.24 O ATOM 1398 ND2 ASN A 95 10.256 -11.121 12.029 1.00 20.51 N ATOM 0 H ASN A 95 6.335 -9.338 9.403 1.00 44.15 H new ATOM 0 HA ASN A 95 8.883 -10.839 9.282 1.00 1.35 H new ATOM 0 HB2 ASN A 95 8.871 -9.191 11.093 1.00 54.32 H new ATOM 0 HB3 ASN A 95 7.319 -9.779 11.655 1.00 54.32 H new ATOM 0 HD21 ASN A 95 10.765 -11.793 12.603 1.00 20.51 H new ATOM 0 HD22 ASN A 95 10.767 -10.453 11.452 1.00 20.51 H new ATOM 1405 N GLU A 96 7.642 -12.991 9.782 1.00 2.22 N ATOM 1406 CA GLU A 96 6.899 -14.255 9.825 1.00 33.32 C ATOM 1407 C GLU A 96 5.940 -14.321 11.038 1.00 54.04 C ATOM 1408 O GLU A 96 4.886 -14.959 10.970 1.00 51.53 O ATOM 1409 CB GLU A 96 7.877 -15.430 9.854 1.00 21.12 C ATOM 1410 CG GLU A 96 8.794 -15.431 11.064 1.00 23.32 C ATOM 1411 CD GLU A 96 9.788 -16.543 11.036 1.00 44.12 C ATOM 1412 OE1 GLU A 96 9.397 -17.708 11.234 1.00 30.14 O ATOM 1413 OE2 GLU A 96 10.980 -16.268 10.827 1.00 61.13 O ATOM 0 H GLU A 96 8.655 -13.107 9.743 1.00 2.22 H new ATOM 0 HA GLU A 96 6.286 -14.314 8.925 1.00 33.32 H new ATOM 0 HB2 GLU A 96 7.312 -16.362 9.837 1.00 21.12 H new ATOM 0 HB3 GLU A 96 8.484 -15.408 8.949 1.00 21.12 H new ATOM 0 HG2 GLU A 96 9.322 -14.479 11.114 1.00 23.32 H new ATOM 0 HG3 GLU A 96 8.193 -15.510 11.970 1.00 23.32 H new ATOM 1420 N GLY A 97 6.312 -13.642 12.122 1.00 4.05 N ATOM 1421 CA GLY A 97 5.520 -13.624 13.313 1.00 32.23 C ATOM 1422 C GLY A 97 4.372 -12.644 13.225 1.00 24.44 C ATOM 1423 O GLY A 97 3.239 -12.997 13.566 1.00 3.52 O ATOM 0 H GLY A 97 7.171 -13.096 12.182 1.00 4.05 H new ATOM 0 HA2 GLY A 97 5.128 -14.623 13.501 1.00 32.23 H new ATOM 0 HA3 GLY A 97 6.152 -13.365 14.163 1.00 32.23 H new ATOM 1427 N GLU A 98 4.648 -11.416 12.761 1.00 21.05 N ATOM 1428 CA GLU A 98 3.634 -10.386 12.651 1.00 3.33 C ATOM 1429 C GLU A 98 3.888 -9.521 11.436 1.00 74.43 C ATOM 1430 O GLU A 98 5.038 -9.215 11.102 1.00 34.00 O ATOM 1431 CB GLU A 98 3.584 -9.466 13.880 1.00 12.33 C ATOM 1432 CG GLU A 98 3.155 -10.108 15.189 1.00 45.22 C ATOM 1433 CD GLU A 98 2.920 -9.082 16.271 1.00 4.53 C ATOM 1434 OE1 GLU A 98 3.873 -8.412 16.701 1.00 71.50 O ATOM 1435 OE2 GLU A 98 1.763 -8.891 16.691 1.00 22.01 O ATOM 0 H GLU A 98 5.576 -11.122 12.457 1.00 21.05 H new ATOM 0 HA GLU A 98 2.682 -10.911 12.568 1.00 3.33 H new ATOM 0 HB2 GLU A 98 4.573 -9.031 14.021 1.00 12.33 H new ATOM 0 HB3 GLU A 98 2.902 -8.644 13.663 1.00 12.33 H new ATOM 0 HG2 GLU A 98 2.242 -10.682 15.029 1.00 45.22 H new ATOM 0 HG3 GLU A 98 3.921 -10.811 15.516 1.00 45.22 H new ATOM 1442 N PHE A 99 2.831 -9.124 10.793 1.00 23.25 N ATOM 1443 CA PHE A 99 2.904 -8.241 9.662 1.00 44.43 C ATOM 1444 C PHE A 99 2.673 -6.832 10.193 1.00 61.44 C ATOM 1445 O PHE A 99 1.587 -6.525 10.683 1.00 2.12 O ATOM 1446 CB PHE A 99 1.827 -8.625 8.641 1.00 72.14 C ATOM 1447 CG PHE A 99 1.881 -10.072 8.215 1.00 51.33 C ATOM 1448 CD1 PHE A 99 2.785 -10.498 7.257 1.00 2.14 C ATOM 1449 CD2 PHE A 99 1.032 -11.012 8.788 1.00 20.25 C ATOM 1450 CE1 PHE A 99 2.841 -11.823 6.878 1.00 21.21 C ATOM 1451 CE2 PHE A 99 1.086 -12.338 8.412 1.00 10.52 C ATOM 1452 CZ PHE A 99 1.994 -12.743 7.456 1.00 42.21 C ATOM 0 H PHE A 99 1.882 -9.406 11.040 1.00 23.25 H new ATOM 0 HA PHE A 99 3.870 -8.305 9.161 1.00 44.43 H new ATOM 0 HB2 PHE A 99 0.845 -8.418 9.067 1.00 72.14 H new ATOM 0 HB3 PHE A 99 1.933 -7.992 7.760 1.00 72.14 H new ATOM 0 HD1 PHE A 99 3.455 -9.784 6.801 1.00 2.14 H new ATOM 0 HD2 PHE A 99 0.320 -10.700 9.538 1.00 20.25 H new ATOM 0 HE1 PHE A 99 3.550 -12.140 6.127 1.00 21.21 H new ATOM 0 HE2 PHE A 99 0.419 -13.057 8.865 1.00 10.52 H new ATOM 0 HZ PHE A 99 2.041 -13.781 7.161 1.00 42.21 H new ATOM 1462 N GLU A 100 3.675 -5.993 10.101 1.00 34.12 N ATOM 1463 CA GLU A 100 3.643 -4.696 10.749 1.00 40.12 C ATOM 1464 C GLU A 100 3.764 -3.539 9.746 1.00 62.31 C ATOM 1465 O GLU A 100 4.776 -3.396 9.047 1.00 45.53 O ATOM 1466 CB GLU A 100 4.793 -4.643 11.779 1.00 73.13 C ATOM 1467 CG GLU A 100 4.976 -3.317 12.501 1.00 21.31 C ATOM 1468 CD GLU A 100 6.190 -3.312 13.412 1.00 50.02 C ATOM 1469 OE1 GLU A 100 7.345 -3.354 12.904 1.00 15.10 O ATOM 1470 OE2 GLU A 100 6.029 -3.237 14.645 1.00 3.22 O ATOM 0 H GLU A 100 4.531 -6.183 9.580 1.00 34.12 H new ATOM 0 HA GLU A 100 2.679 -4.574 11.243 1.00 40.12 H new ATOM 0 HB2 GLU A 100 4.624 -5.420 12.524 1.00 73.13 H new ATOM 0 HB3 GLU A 100 5.724 -4.888 11.268 1.00 73.13 H new ATOM 0 HG2 GLU A 100 5.074 -2.518 11.766 1.00 21.31 H new ATOM 0 HG3 GLU A 100 4.084 -3.101 13.089 1.00 21.31 H new ATOM 1477 N VAL A 101 2.739 -2.741 9.658 1.00 2.02 N ATOM 1478 CA VAL A 101 2.798 -1.544 8.866 1.00 11.34 C ATOM 1479 C VAL A 101 2.901 -0.356 9.806 1.00 71.51 C ATOM 1480 O VAL A 101 2.107 -0.216 10.740 1.00 20.44 O ATOM 1481 CB VAL A 101 1.613 -1.393 7.841 1.00 45.02 C ATOM 1482 CG1 VAL A 101 0.256 -1.490 8.502 1.00 10.51 C ATOM 1483 CG2 VAL A 101 1.730 -0.088 7.058 1.00 1.43 C ATOM 0 H VAL A 101 1.847 -2.898 10.127 1.00 2.02 H new ATOM 0 HA VAL A 101 3.683 -1.599 8.233 1.00 11.34 H new ATOM 0 HB VAL A 101 1.695 -2.230 7.148 1.00 45.02 H new ATOM 0 HG11 VAL A 101 -0.524 -1.379 7.749 1.00 10.51 H new ATOM 0 HG12 VAL A 101 0.156 -2.461 8.988 1.00 10.51 H new ATOM 0 HG13 VAL A 101 0.157 -0.700 9.247 1.00 10.51 H new ATOM 0 HG21 VAL A 101 0.899 -0.009 6.357 1.00 1.43 H new ATOM 0 HG22 VAL A 101 1.704 0.755 7.749 1.00 1.43 H new ATOM 0 HG23 VAL A 101 2.671 -0.077 6.508 1.00 1.43 H new ATOM 1493 N VAL A 102 3.916 0.434 9.613 1.00 21.02 N ATOM 1494 CA VAL A 102 4.164 1.550 10.478 1.00 21.23 C ATOM 1495 C VAL A 102 3.929 2.837 9.719 1.00 21.31 C ATOM 1496 O VAL A 102 4.627 3.144 8.732 1.00 23.00 O ATOM 1497 CB VAL A 102 5.606 1.518 11.051 1.00 72.03 C ATOM 1498 CG1 VAL A 102 5.811 2.620 12.074 1.00 64.30 C ATOM 1499 CG2 VAL A 102 5.901 0.170 11.675 1.00 23.35 C ATOM 0 H VAL A 102 4.592 0.324 8.857 1.00 21.02 H new ATOM 0 HA VAL A 102 3.476 1.491 11.321 1.00 21.23 H new ATOM 0 HB VAL A 102 6.297 1.683 10.224 1.00 72.03 H new ATOM 0 HG11 VAL A 102 6.830 2.574 12.459 1.00 64.30 H new ATOM 0 HG12 VAL A 102 5.644 3.589 11.603 1.00 64.30 H new ATOM 0 HG13 VAL A 102 5.106 2.490 12.895 1.00 64.30 H new ATOM 0 HG21 VAL A 102 6.916 0.167 12.071 1.00 23.35 H new ATOM 0 HG22 VAL A 102 5.195 -0.019 12.484 1.00 23.35 H new ATOM 0 HG23 VAL A 102 5.804 -0.610 10.920 1.00 23.35 H new ATOM 1509 N ASP A 103 2.945 3.550 10.154 1.00 34.41 N ATOM 1510 CA ASP A 103 2.556 4.799 9.594 1.00 74.43 C ATOM 1511 C ASP A 103 3.389 5.893 10.216 1.00 54.24 C ATOM 1512 O ASP A 103 3.242 6.208 11.401 1.00 44.13 O ATOM 1513 CB ASP A 103 1.094 5.046 9.902 1.00 24.32 C ATOM 1514 CG ASP A 103 0.162 4.009 9.333 1.00 32.31 C ATOM 1515 OD1 ASP A 103 0.052 2.901 9.931 1.00 32.54 O ATOM 1516 OD2 ASP A 103 -0.506 4.285 8.328 1.00 13.21 O ATOM 0 H ASP A 103 2.365 3.265 10.944 1.00 34.41 H new ATOM 0 HA ASP A 103 2.706 4.788 8.514 1.00 74.43 H new ATOM 0 HB2 ASP A 103 0.963 5.083 10.983 1.00 24.32 H new ATOM 0 HB3 ASP A 103 0.812 6.025 9.513 1.00 24.32 H new ATOM 1521 N VAL A 104 4.271 6.459 9.447 1.00 30.22 N ATOM 1522 CA VAL A 104 5.176 7.473 9.956 1.00 53.31 C ATOM 1523 C VAL A 104 4.984 8.815 9.252 1.00 52.24 C ATOM 1524 O VAL A 104 5.829 9.716 9.361 1.00 13.34 O ATOM 1525 CB VAL A 104 6.667 7.015 9.901 1.00 43.43 C ATOM 1526 CG1 VAL A 104 6.930 5.953 10.943 1.00 73.11 C ATOM 1527 CG2 VAL A 104 7.016 6.458 8.529 1.00 42.25 C ATOM 0 H VAL A 104 4.391 6.241 8.458 1.00 30.22 H new ATOM 0 HA VAL A 104 4.920 7.614 11.006 1.00 53.31 H new ATOM 0 HB VAL A 104 7.288 7.888 10.100 1.00 43.43 H new ATOM 0 HG11 VAL A 104 7.974 5.644 10.892 1.00 73.11 H new ATOM 0 HG12 VAL A 104 6.719 6.355 11.934 1.00 73.11 H new ATOM 0 HG13 VAL A 104 6.287 5.093 10.756 1.00 73.11 H new ATOM 0 HG21 VAL A 104 8.060 6.146 8.518 1.00 42.25 H new ATOM 0 HG22 VAL A 104 6.379 5.601 8.312 1.00 42.25 H new ATOM 0 HG23 VAL A 104 6.859 7.228 7.773 1.00 42.25 H new ATOM 1537 N GLY A 105 3.857 8.959 8.581 1.00 33.12 N ATOM 1538 CA GLY A 105 3.521 10.196 7.900 1.00 33.20 C ATOM 1539 C GLY A 105 2.313 10.851 8.540 1.00 41.53 C ATOM 1540 O GLY A 105 1.370 11.280 7.856 1.00 54.42 O ATOM 0 H GLY A 105 3.152 8.227 8.492 1.00 33.12 H new ATOM 0 HA2 GLY A 105 4.371 10.878 7.934 1.00 33.20 H new ATOM 0 HA3 GLY A 105 3.317 9.994 6.849 1.00 33.20 H new ATOM 1544 N SER A 106 2.357 10.953 9.852 1.00 71.53 N ATOM 1545 CA SER A 106 1.274 11.465 10.663 1.00 23.13 C ATOM 1546 C SER A 106 0.996 12.951 10.398 1.00 12.30 C ATOM 1547 O SER A 106 -0.109 13.424 10.656 1.00 35.44 O ATOM 1548 CB SER A 106 1.616 11.238 12.126 1.00 73.11 C ATOM 1549 OG SER A 106 2.077 9.897 12.317 1.00 45.22 O ATOM 0 H SER A 106 3.171 10.674 10.399 1.00 71.53 H new ATOM 0 HA SER A 106 0.362 10.930 10.399 1.00 23.13 H new ATOM 0 HB2 SER A 106 2.384 11.944 12.443 1.00 73.11 H new ATOM 0 HB3 SER A 106 0.739 11.422 12.746 1.00 73.11 H new ATOM 0 HG SER A 106 1.349 9.349 12.676 1.00 45.22 H new ATOM 1555 N LEU A 107 1.997 13.677 9.872 1.00 70.20 N ATOM 1556 CA LEU A 107 1.822 15.097 9.518 1.00 0.30 C ATOM 1557 C LEU A 107 0.702 15.253 8.500 1.00 52.35 C ATOM 1558 O LEU A 107 -0.117 16.175 8.585 1.00 63.20 O ATOM 1559 CB LEU A 107 3.110 15.733 8.951 1.00 52.10 C ATOM 1560 CG LEU A 107 4.300 15.988 9.911 1.00 63.02 C ATOM 1561 CD1 LEU A 107 3.878 16.799 11.127 1.00 23.25 C ATOM 1562 CD2 LEU A 107 4.996 14.699 10.319 1.00 15.12 C ATOM 0 H LEU A 107 2.929 13.308 9.683 1.00 70.20 H new ATOM 0 HA LEU A 107 1.571 15.618 10.442 1.00 0.30 H new ATOM 0 HB2 LEU A 107 3.467 15.093 8.145 1.00 52.10 H new ATOM 0 HB3 LEU A 107 2.837 16.688 8.502 1.00 52.10 H new ATOM 0 HG LEU A 107 5.027 16.581 9.356 1.00 63.02 H new ATOM 0 HD11 LEU A 107 4.739 16.957 11.776 1.00 23.25 H new ATOM 0 HD12 LEU A 107 3.486 17.763 10.803 1.00 23.25 H new ATOM 0 HD13 LEU A 107 3.106 16.259 11.674 1.00 23.25 H new ATOM 0 HD21 LEU A 107 5.823 14.929 10.991 1.00 15.12 H new ATOM 0 HD22 LEU A 107 4.286 14.047 10.827 1.00 15.12 H new ATOM 0 HD23 LEU A 107 5.380 14.196 9.431 1.00 15.12 H new ATOM 1574 N ASN A 108 0.684 14.360 7.540 1.00 53.14 N ATOM 1575 CA ASN A 108 -0.371 14.324 6.548 1.00 64.14 C ATOM 1576 C ASN A 108 -1.550 13.711 7.210 1.00 51.25 C ATOM 1577 O ASN A 108 -2.634 14.277 7.262 1.00 25.01 O ATOM 1578 CB ASN A 108 -0.004 13.421 5.356 1.00 43.02 C ATOM 1579 CG ASN A 108 1.242 13.813 4.611 1.00 11.32 C ATOM 1580 OD1 ASN A 108 2.186 14.387 5.177 1.00 21.35 O ATOM 1581 ND2 ASN A 108 1.289 13.472 3.350 1.00 34.44 N ATOM 0 H ASN A 108 1.396 13.639 7.422 1.00 53.14 H new ATOM 0 HA ASN A 108 -0.550 15.334 6.179 1.00 64.14 H new ATOM 0 HB2 ASN A 108 0.116 12.400 5.718 1.00 43.02 H new ATOM 0 HB3 ASN A 108 -0.839 13.415 4.656 1.00 43.02 H new ATOM 0 HD21 ASN A 108 2.121 13.677 2.797 1.00 34.44 H new ATOM 0 HD22 ASN A 108 0.493 13.001 2.919 1.00 34.44 H new ATOM 1588 N GLY A 109 -1.302 12.569 7.772 1.00 32.43 N ATOM 1589 CA GLY A 109 -2.318 11.830 8.404 1.00 32.21 C ATOM 1590 C GLY A 109 -2.399 10.466 7.817 1.00 24.05 C ATOM 1591 O GLY A 109 -2.863 10.289 6.688 1.00 42.50 O ATOM 0 H GLY A 109 -0.381 12.132 7.798 1.00 32.43 H new ATOM 0 HA2 GLY A 109 -2.118 11.763 9.473 1.00 32.21 H new ATOM 0 HA3 GLY A 109 -3.274 12.341 8.290 1.00 32.21 H new ATOM 1595 N THR A 110 -1.882 9.529 8.519 1.00 62.34 N ATOM 1596 CA THR A 110 -1.967 8.174 8.144 1.00 41.12 C ATOM 1597 C THR A 110 -3.196 7.588 8.822 1.00 50.22 C ATOM 1598 O THR A 110 -3.315 7.620 10.062 1.00 52.41 O ATOM 1599 CB THR A 110 -0.677 7.496 8.580 1.00 1.51 C ATOM 1600 OG1 THR A 110 -0.257 8.075 9.857 1.00 10.12 O ATOM 1601 CG2 THR A 110 0.415 7.723 7.534 1.00 30.22 C ATOM 0 H THR A 110 -1.377 9.689 9.390 1.00 62.34 H new ATOM 0 HA THR A 110 -2.075 8.033 7.069 1.00 41.12 H new ATOM 0 HB THR A 110 -0.843 6.424 8.686 1.00 1.51 H new ATOM 0 HG1 THR A 110 -0.468 7.452 10.584 1.00 10.12 H new ATOM 0 HG21 THR A 110 1.334 7.234 7.856 1.00 30.22 H new ATOM 0 HG22 THR A 110 0.097 7.305 6.579 1.00 30.22 H new ATOM 0 HG23 THR A 110 0.594 8.792 7.421 1.00 30.22 H new ATOM 1609 N TYR A 111 -4.129 7.116 8.037 1.00 55.03 N ATOM 1610 CA TYR A 111 -5.384 6.683 8.576 1.00 60.10 C ATOM 1611 C TYR A 111 -5.685 5.238 8.252 1.00 53.21 C ATOM 1612 O TYR A 111 -5.431 4.759 7.146 1.00 13.32 O ATOM 1613 CB TYR A 111 -6.540 7.540 8.035 1.00 23.30 C ATOM 1614 CG TYR A 111 -6.395 9.039 8.212 1.00 63.45 C ATOM 1615 CD1 TYR A 111 -6.624 9.645 9.437 1.00 5.42 C ATOM 1616 CD2 TYR A 111 -6.044 9.847 7.143 1.00 63.05 C ATOM 1617 CE1 TYR A 111 -6.505 11.012 9.592 1.00 21.42 C ATOM 1618 CE2 TYR A 111 -5.920 11.214 7.289 1.00 51.25 C ATOM 1619 CZ TYR A 111 -6.151 11.790 8.515 1.00 2.31 C ATOM 1620 OH TYR A 111 -6.025 13.156 8.668 1.00 54.03 O ATOM 0 H TYR A 111 -4.041 7.023 7.025 1.00 55.03 H new ATOM 0 HA TYR A 111 -5.298 6.794 9.657 1.00 60.10 H new ATOM 0 HB2 TYR A 111 -6.656 7.329 6.972 1.00 23.30 H new ATOM 0 HB3 TYR A 111 -7.461 7.224 8.525 1.00 23.30 H new ATOM 0 HD1 TYR A 111 -6.901 9.037 10.286 1.00 5.42 H new ATOM 0 HD2 TYR A 111 -5.864 9.399 6.177 1.00 63.05 H new ATOM 0 HE1 TYR A 111 -6.689 11.467 10.554 1.00 21.42 H new ATOM 0 HE2 TYR A 111 -5.643 11.827 6.444 1.00 51.25 H new ATOM 0 HH TYR A 111 -5.768 13.559 7.812 1.00 54.03 H new ATOM 1630 N VAL A 112 -6.217 4.561 9.226 1.00 2.13 N ATOM 1631 CA VAL A 112 -6.759 3.245 9.056 1.00 65.53 C ATOM 1632 C VAL A 112 -8.275 3.401 9.068 1.00 11.03 C ATOM 1633 O VAL A 112 -8.844 3.828 10.055 1.00 52.12 O ATOM 1634 CB VAL A 112 -6.265 2.240 10.166 1.00 24.23 C ATOM 1635 CG1 VAL A 112 -6.605 2.666 11.586 1.00 42.14 C ATOM 1636 CG2 VAL A 112 -6.737 0.835 9.887 1.00 55.34 C ATOM 0 H VAL A 112 -6.288 4.915 10.180 1.00 2.13 H new ATOM 0 HA VAL A 112 -6.416 2.812 8.117 1.00 65.53 H new ATOM 0 HB VAL A 112 -5.177 2.258 10.109 1.00 24.23 H new ATOM 0 HG11 VAL A 112 -6.231 1.921 12.289 1.00 42.14 H new ATOM 0 HG12 VAL A 112 -6.142 3.630 11.798 1.00 42.14 H new ATOM 0 HG13 VAL A 112 -7.686 2.753 11.691 1.00 42.14 H new ATOM 0 HG21 VAL A 112 -6.379 0.168 10.671 1.00 55.34 H new ATOM 0 HG22 VAL A 112 -7.827 0.815 9.863 1.00 55.34 H new ATOM 0 HG23 VAL A 112 -6.347 0.505 8.924 1.00 55.34 H new ATOM 1646 N ASN A 113 -8.901 3.169 7.931 1.00 61.10 N ATOM 1647 CA ASN A 113 -10.367 3.324 7.772 1.00 24.35 C ATOM 1648 C ASN A 113 -10.831 4.726 8.205 1.00 1.51 C ATOM 1649 O ASN A 113 -11.926 4.892 8.741 1.00 34.23 O ATOM 1650 CB ASN A 113 -11.152 2.214 8.520 1.00 21.41 C ATOM 1651 CG ASN A 113 -10.803 0.826 8.013 1.00 52.54 C ATOM 1652 OD1 ASN A 113 -11.373 0.335 7.030 1.00 60.11 O ATOM 1653 ND2 ASN A 113 -9.935 0.166 8.705 1.00 34.25 N ATOM 0 H ASN A 113 -8.425 2.867 7.081 1.00 61.10 H new ATOM 0 HA ASN A 113 -10.588 3.213 6.710 1.00 24.35 H new ATOM 0 HB2 ASN A 113 -10.936 2.274 9.587 1.00 21.41 H new ATOM 0 HB3 ASN A 113 -12.222 2.384 8.401 1.00 21.41 H new ATOM 0 HD21 ASN A 113 -9.699 -0.792 8.447 1.00 34.25 H new ATOM 0 HD22 ASN A 113 -9.485 0.603 9.509 1.00 34.25 H new ATOM 1660 N ARG A 114 -9.970 5.727 7.924 1.00 22.14 N ATOM 1661 CA ARG A 114 -10.194 7.162 8.205 1.00 71.14 C ATOM 1662 C ARG A 114 -9.845 7.612 9.628 1.00 52.41 C ATOM 1663 O ARG A 114 -10.035 8.780 9.966 1.00 25.51 O ATOM 1664 CB ARG A 114 -11.581 7.649 7.761 1.00 2.23 C ATOM 1665 CG ARG A 114 -11.760 7.649 6.256 1.00 53.22 C ATOM 1666 CD ARG A 114 -13.192 7.926 5.860 1.00 54.23 C ATOM 1667 NE ARG A 114 -14.093 6.852 6.304 1.00 30.54 N ATOM 1668 CZ ARG A 114 -14.679 5.960 5.492 1.00 72.31 C ATOM 1669 NH1 ARG A 114 -14.536 6.056 4.170 1.00 74.31 N ATOM 1670 NH2 ARG A 114 -15.420 4.987 6.006 1.00 34.24 N ATOM 0 H ARG A 114 -9.068 5.553 7.480 1.00 22.14 H new ATOM 0 HA ARG A 114 -9.460 7.665 7.576 1.00 71.14 H new ATOM 0 HB2 ARG A 114 -12.343 7.013 8.211 1.00 2.23 H new ATOM 0 HB3 ARG A 114 -11.743 8.658 8.140 1.00 2.23 H new ATOM 0 HG2 ARG A 114 -11.108 8.402 5.813 1.00 53.22 H new ATOM 0 HG3 ARG A 114 -11.452 6.684 5.854 1.00 53.22 H new ATOM 0 HD2 ARG A 114 -13.513 8.873 6.293 1.00 54.23 H new ATOM 0 HD3 ARG A 114 -13.257 8.032 4.777 1.00 54.23 H new ATOM 0 HE ARG A 114 -14.286 6.780 7.303 1.00 30.54 H new ATOM 0 HH11 ARG A 114 -13.978 6.811 3.771 1.00 74.31 H new ATOM 0 HH12 ARG A 114 -14.984 5.374 3.558 1.00 74.31 H new ATOM 0 HH21 ARG A 114 -15.543 4.919 7.016 1.00 34.24 H new ATOM 0 HH22 ARG A 114 -15.867 4.307 5.391 1.00 34.24 H new ATOM 1684 N GLU A 115 -9.327 6.733 10.456 1.00 23.53 N ATOM 1685 CA GLU A 115 -8.888 7.160 11.779 1.00 41.32 C ATOM 1686 C GLU A 115 -7.351 7.103 11.870 1.00 33.25 C ATOM 1687 O GLU A 115 -6.744 6.178 11.338 1.00 13.03 O ATOM 1688 CB GLU A 115 -9.561 6.360 12.902 1.00 24.54 C ATOM 1689 CG GLU A 115 -9.282 4.879 12.900 1.00 13.22 C ATOM 1690 CD GLU A 115 -9.915 4.182 14.061 1.00 43.44 C ATOM 1691 OE1 GLU A 115 -9.420 4.342 15.202 1.00 4.34 O ATOM 1692 OE2 GLU A 115 -10.902 3.453 13.875 1.00 3.32 O ATOM 0 H GLU A 115 -9.198 5.742 10.252 1.00 23.53 H new ATOM 0 HA GLU A 115 -9.201 8.194 11.921 1.00 41.32 H new ATOM 0 HB2 GLU A 115 -9.241 6.771 13.859 1.00 24.54 H new ATOM 0 HB3 GLU A 115 -10.639 6.509 12.835 1.00 24.54 H new ATOM 0 HG2 GLU A 115 -9.651 4.443 11.972 1.00 13.22 H new ATOM 0 HG3 GLU A 115 -8.205 4.714 12.923 1.00 13.22 H new ATOM 1699 N PRO A 116 -6.700 8.101 12.512 1.00 51.11 N ATOM 1700 CA PRO A 116 -5.223 8.187 12.575 1.00 44.11 C ATOM 1701 C PRO A 116 -4.562 6.981 13.254 1.00 43.25 C ATOM 1702 O PRO A 116 -5.097 6.421 14.227 1.00 13.02 O ATOM 1703 CB PRO A 116 -4.959 9.454 13.404 1.00 74.20 C ATOM 1704 CG PRO A 116 -6.228 10.229 13.351 1.00 0.00 C ATOM 1705 CD PRO A 116 -7.334 9.220 13.236 1.00 23.22 C ATOM 0 HA PRO A 116 -4.801 8.208 11.570 1.00 44.11 H new ATOM 0 HB2 PRO A 116 -4.693 9.204 14.431 1.00 74.20 H new ATOM 0 HB3 PRO A 116 -4.130 10.028 12.991 1.00 74.20 H new ATOM 0 HG2 PRO A 116 -6.349 10.838 14.247 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.233 10.910 12.500 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.699 8.910 14.215 1.00 23.22 H new ATOM 0 HD3 PRO A 116 -8.188 9.620 12.690 1.00 23.22 H new ATOM 1713 N ARG A 117 -3.421 6.578 12.727 1.00 75.03 N ATOM 1714 CA ARG A 117 -2.629 5.492 13.290 1.00 25.02 C ATOM 1715 C ARG A 117 -1.136 5.716 13.083 1.00 14.15 C ATOM 1716 O ARG A 117 -0.735 6.568 12.274 1.00 34.52 O ATOM 1717 CB ARG A 117 -3.006 4.149 12.674 1.00 10.22 C ATOM 1718 CG ARG A 117 -3.009 4.118 11.148 1.00 53.03 C ATOM 1719 CD ARG A 117 -2.920 2.694 10.677 1.00 1.10 C ATOM 1720 NE ARG A 117 -3.357 2.479 9.284 1.00 24.51 N ATOM 1721 CZ ARG A 117 -2.852 1.525 8.529 1.00 3.24 C ATOM 1722 NH1 ARG A 117 -1.552 1.303 8.561 1.00 34.41 N ATOM 1723 NH2 ARG A 117 -3.619 0.888 7.627 1.00 62.41 N ATOM 0 H ARG A 117 -3.012 6.995 11.891 1.00 75.03 H new ATOM 0 HA ARG A 117 -2.847 5.479 14.358 1.00 25.02 H new ATOM 0 HB2 ARG A 117 -2.311 3.392 13.037 1.00 10.22 H new ATOM 0 HB3 ARG A 117 -3.997 3.868 13.030 1.00 10.22 H new ATOM 0 HG2 ARG A 117 -3.918 4.583 10.766 1.00 53.03 H new ATOM 0 HG3 ARG A 117 -2.169 4.694 10.760 1.00 53.03 H new ATOM 0 HD2 ARG A 117 -1.889 2.356 10.777 1.00 1.10 H new ATOM 0 HD3 ARG A 117 -3.525 2.069 11.334 1.00 1.10 H new ATOM 0 HE ARG A 117 -4.074 3.090 8.893 1.00 24.51 H new ATOM 0 HH11 ARG A 117 -0.953 1.866 9.165 1.00 34.41 H new ATOM 0 HH12 ARG A 117 -1.146 0.568 7.982 1.00 34.41 H new ATOM 0 HH21 ARG A 117 -4.601 1.142 7.523 1.00 62.41 H new ATOM 0 HH22 ARG A 117 -3.219 0.151 7.047 1.00 62.41 H new ATOM 1737 N ASN A 118 -0.333 4.967 13.839 1.00 75.21 N ATOM 1738 CA ASN A 118 1.119 4.944 13.679 1.00 73.01 C ATOM 1739 C ASN A 118 1.642 3.541 13.460 1.00 73.23 C ATOM 1740 O ASN A 118 2.767 3.362 13.019 1.00 61.12 O ATOM 1741 CB ASN A 118 1.880 5.615 14.819 1.00 44.05 C ATOM 1742 CG ASN A 118 1.907 7.119 14.691 1.00 63.43 C ATOM 1743 OD1 ASN A 118 1.057 7.821 15.226 1.00 2.14 O ATOM 1744 ND2 ASN A 118 2.857 7.627 13.954 1.00 70.54 N ATOM 0 H ASN A 118 -0.674 4.357 14.582 1.00 75.21 H new ATOM 0 HA ASN A 118 1.307 5.537 12.784 1.00 73.01 H new ATOM 0 HB2 ASN A 118 1.419 5.343 15.769 1.00 44.05 H new ATOM 0 HB3 ASN A 118 2.902 5.237 14.841 1.00 44.05 H new ATOM 0 HD21 ASN A 118 2.907 8.636 13.810 1.00 70.54 H new ATOM 0 HD22 ASN A 118 3.550 7.015 13.522 1.00 70.54 H new ATOM 1751 N ALA A 119 0.850 2.545 13.794 1.00 54.40 N ATOM 1752 CA ALA A 119 1.217 1.166 13.521 1.00 1.33 C ATOM 1753 C ALA A 119 -0.033 0.330 13.432 1.00 73.31 C ATOM 1754 O ALA A 119 -0.961 0.508 14.231 1.00 64.23 O ATOM 1755 CB ALA A 119 2.132 0.621 14.614 1.00 11.15 C ATOM 0 H ALA A 119 -0.052 2.661 14.255 1.00 54.40 H new ATOM 0 HA ALA A 119 1.757 1.125 12.575 1.00 1.33 H new ATOM 0 HB1 ALA A 119 2.393 -0.413 14.388 1.00 11.15 H new ATOM 0 HB2 ALA A 119 3.040 1.223 14.662 1.00 11.15 H new ATOM 0 HB3 ALA A 119 1.617 0.663 15.574 1.00 11.15 H new ATOM 1761 N GLN A 120 -0.072 -0.555 12.485 1.00 31.40 N ATOM 1762 CA GLN A 120 -1.200 -1.418 12.294 1.00 30.40 C ATOM 1763 C GLN A 120 -0.678 -2.809 11.898 1.00 51.42 C ATOM 1764 O GLN A 120 0.411 -2.922 11.323 1.00 33.22 O ATOM 1765 CB GLN A 120 -2.127 -0.766 11.232 1.00 11.21 C ATOM 1766 CG GLN A 120 -3.572 -1.268 11.164 1.00 14.44 C ATOM 1767 CD GLN A 120 -3.735 -2.585 10.462 1.00 11.10 C ATOM 1768 OE1 GLN A 120 -2.987 -2.915 9.550 1.00 65.04 O ATOM 1769 NE2 GLN A 120 -4.703 -3.343 10.876 1.00 24.53 N ATOM 0 H GLN A 120 0.684 -0.701 11.816 1.00 31.40 H new ATOM 0 HA GLN A 120 -1.793 -1.549 13.199 1.00 30.40 H new ATOM 0 HB2 GLN A 120 -2.150 0.308 11.417 1.00 11.21 H new ATOM 0 HB3 GLN A 120 -1.672 -0.910 10.252 1.00 11.21 H new ATOM 0 HG2 GLN A 120 -3.961 -1.359 12.178 1.00 14.44 H new ATOM 0 HG3 GLN A 120 -4.181 -0.520 10.655 1.00 14.44 H new ATOM 0 HE21 GLN A 120 -5.304 -3.031 11.639 1.00 24.53 H new ATOM 0 HE22 GLN A 120 -4.863 -4.250 10.439 1.00 24.53 H new ATOM 1778 N VAL A 121 -1.391 -3.842 12.260 1.00 1.42 N ATOM 1779 CA VAL A 121 -1.022 -5.191 11.870 1.00 32.33 C ATOM 1780 C VAL A 121 -1.912 -5.646 10.698 1.00 64.25 C ATOM 1781 O VAL A 121 -3.135 -5.801 10.862 1.00 74.44 O ATOM 1782 CB VAL A 121 -1.055 -6.188 13.081 1.00 43.02 C ATOM 1783 CG1 VAL A 121 -2.374 -6.129 13.830 1.00 23.20 C ATOM 1784 CG2 VAL A 121 -0.754 -7.620 12.642 1.00 22.43 C ATOM 0 H VAL A 121 -2.236 -3.782 12.827 1.00 1.42 H new ATOM 0 HA VAL A 121 0.014 -5.189 11.530 1.00 32.33 H new ATOM 0 HB VAL A 121 -0.268 -5.870 13.765 1.00 43.02 H new ATOM 0 HG11 VAL A 121 -2.353 -6.835 14.660 1.00 23.20 H new ATOM 0 HG12 VAL A 121 -2.529 -5.121 14.215 1.00 23.20 H new ATOM 0 HG13 VAL A 121 -3.188 -6.388 13.154 1.00 23.20 H new ATOM 0 HG21 VAL A 121 -0.786 -8.281 13.508 1.00 22.43 H new ATOM 0 HG22 VAL A 121 -1.498 -7.941 11.913 1.00 22.43 H new ATOM 0 HG23 VAL A 121 0.237 -7.661 12.191 1.00 22.43 H new ATOM 1794 N MET A 122 -1.271 -5.835 9.534 1.00 4.41 N ATOM 1795 CA MET A 122 -1.934 -6.122 8.222 1.00 22.12 C ATOM 1796 C MET A 122 -3.221 -6.938 8.293 1.00 73.31 C ATOM 1797 O MET A 122 -3.221 -8.096 8.717 1.00 61.23 O ATOM 1798 CB MET A 122 -0.992 -6.833 7.236 1.00 54.15 C ATOM 1799 CG MET A 122 0.065 -5.982 6.545 1.00 71.04 C ATOM 1800 SD MET A 122 1.269 -5.227 7.636 1.00 32.33 S ATOM 1801 CE MET A 122 2.414 -4.569 6.427 1.00 10.42 C ATOM 0 H MET A 122 -0.254 -5.795 9.462 1.00 4.41 H new ATOM 0 HA MET A 122 -2.196 -5.123 7.873 1.00 22.12 H new ATOM 0 HB2 MET A 122 -0.483 -7.633 7.773 1.00 54.15 H new ATOM 0 HB3 MET A 122 -1.603 -7.304 6.466 1.00 54.15 H new ATOM 0 HG2 MET A 122 0.593 -6.603 5.822 1.00 71.04 H new ATOM 0 HG3 MET A 122 -0.436 -5.194 5.983 1.00 71.04 H new ATOM 0 HE1 MET A 122 3.163 -3.958 6.930 1.00 10.42 H new ATOM 0 HE2 MET A 122 2.906 -5.391 5.907 1.00 10.42 H new ATOM 0 HE3 MET A 122 1.871 -3.957 5.707 1.00 10.42 H new ATOM 1811 N GLN A 123 -4.302 -6.322 7.872 1.00 65.01 N ATOM 1812 CA GLN A 123 -5.577 -6.986 7.717 1.00 25.24 C ATOM 1813 C GLN A 123 -5.941 -6.894 6.259 1.00 22.22 C ATOM 1814 O GLN A 123 -5.610 -5.900 5.605 1.00 55.21 O ATOM 1815 CB GLN A 123 -6.683 -6.340 8.562 1.00 63.30 C ATOM 1816 CG GLN A 123 -6.481 -6.444 10.060 1.00 33.02 C ATOM 1817 CD GLN A 123 -7.658 -5.905 10.849 1.00 22.00 C ATOM 1818 OE1 GLN A 123 -8.369 -4.997 10.410 1.00 41.54 O ATOM 1819 NE2 GLN A 123 -7.874 -6.448 12.012 1.00 52.55 N ATOM 0 H GLN A 123 -4.321 -5.333 7.624 1.00 65.01 H new ATOM 0 HA GLN A 123 -5.489 -8.018 8.057 1.00 25.24 H new ATOM 0 HB2 GLN A 123 -6.759 -5.287 8.292 1.00 63.30 H new ATOM 0 HB3 GLN A 123 -7.635 -6.804 8.305 1.00 63.30 H new ATOM 0 HG2 GLN A 123 -6.316 -7.488 10.328 1.00 33.02 H new ATOM 0 HG3 GLN A 123 -5.581 -5.897 10.340 1.00 33.02 H new ATOM 0 HE21 GLN A 123 -7.267 -7.197 12.346 1.00 52.55 H new ATOM 0 HE22 GLN A 123 -8.650 -6.125 12.590 1.00 52.55 H new ATOM 1828 N THR A 124 -6.582 -7.891 5.735 1.00 43.31 N ATOM 1829 CA THR A 124 -6.920 -7.866 4.349 1.00 54.13 C ATOM 1830 C THR A 124 -8.298 -7.202 4.158 1.00 41.43 C ATOM 1831 O THR A 124 -9.265 -7.490 4.895 1.00 74.10 O ATOM 1832 CB THR A 124 -6.828 -9.292 3.691 1.00 20.12 C ATOM 1833 OG1 THR A 124 -6.982 -9.208 2.266 1.00 24.24 O ATOM 1834 CG2 THR A 124 -7.858 -10.263 4.264 1.00 1.21 C ATOM 0 H THR A 124 -6.879 -8.725 6.241 1.00 43.31 H new ATOM 0 HA THR A 124 -6.184 -7.260 3.821 1.00 54.13 H new ATOM 0 HB THR A 124 -5.837 -9.680 3.926 1.00 20.12 H new ATOM 0 HG1 THR A 124 -6.920 -10.105 1.877 1.00 24.24 H new ATOM 0 HG21 THR A 124 -7.754 -11.233 3.778 1.00 1.21 H new ATOM 0 HG22 THR A 124 -7.695 -10.375 5.336 1.00 1.21 H new ATOM 0 HG23 THR A 124 -8.861 -9.875 4.088 1.00 1.21 H new ATOM 1842 N GLY A 125 -8.363 -6.264 3.240 1.00 64.42 N ATOM 1843 CA GLY A 125 -9.594 -5.554 2.984 1.00 45.53 C ATOM 1844 C GLY A 125 -9.648 -4.274 3.771 1.00 15.34 C ATOM 1845 O GLY A 125 -10.722 -3.687 3.970 1.00 32.12 O ATOM 0 H GLY A 125 -7.576 -5.975 2.658 1.00 64.42 H new ATOM 0 HA2 GLY A 125 -9.678 -5.335 1.920 1.00 45.53 H new ATOM 0 HA3 GLY A 125 -10.444 -6.184 3.248 1.00 45.53 H new ATOM 1849 N ASP A 126 -8.494 -3.835 4.208 1.00 1.25 N ATOM 1850 CA ASP A 126 -8.382 -2.638 5.005 1.00 14.42 C ATOM 1851 C ASP A 126 -8.028 -1.492 4.099 1.00 14.14 C ATOM 1852 O ASP A 126 -7.276 -1.672 3.131 1.00 42.44 O ATOM 1853 CB ASP A 126 -7.296 -2.806 6.068 1.00 25.11 C ATOM 1854 CG ASP A 126 -7.293 -1.676 7.071 1.00 5.50 C ATOM 1855 OD1 ASP A 126 -8.152 -1.722 7.994 1.00 42.42 O ATOM 1856 OD2 ASP A 126 -6.452 -0.748 6.970 1.00 13.50 O ATOM 0 H ASP A 126 -7.604 -4.298 4.021 1.00 1.25 H new ATOM 0 HA ASP A 126 -9.330 -2.444 5.507 1.00 14.42 H new ATOM 0 HB2 ASP A 126 -7.445 -3.751 6.590 1.00 25.11 H new ATOM 0 HB3 ASP A 126 -6.321 -2.860 5.583 1.00 25.11 H new ATOM 1861 N GLU A 127 -8.573 -0.340 4.352 1.00 21.23 N ATOM 1862 CA GLU A 127 -8.264 0.778 3.530 1.00 3.40 C ATOM 1863 C GLU A 127 -7.416 1.779 4.271 1.00 11.42 C ATOM 1864 O GLU A 127 -7.758 2.249 5.377 1.00 45.12 O ATOM 1865 CB GLU A 127 -9.497 1.422 2.912 1.00 13.54 C ATOM 1866 CG GLU A 127 -10.489 2.010 3.888 1.00 10.34 C ATOM 1867 CD GLU A 127 -11.586 2.704 3.162 1.00 13.34 C ATOM 1868 OE1 GLU A 127 -11.346 3.791 2.609 1.00 12.23 O ATOM 1869 OE2 GLU A 127 -12.688 2.148 3.056 1.00 21.22 O ATOM 0 H GLU A 127 -9.226 -0.156 5.114 1.00 21.23 H new ATOM 0 HA GLU A 127 -7.678 0.398 2.693 1.00 3.40 H new ATOM 0 HB2 GLU A 127 -9.171 2.211 2.234 1.00 13.54 H new ATOM 0 HB3 GLU A 127 -10.010 0.674 2.307 1.00 13.54 H new ATOM 0 HG2 GLU A 127 -10.903 1.220 4.515 1.00 10.34 H new ATOM 0 HG3 GLU A 127 -9.983 2.712 4.551 1.00 10.34 H new ATOM 1876 N ILE A 128 -6.338 2.117 3.662 1.00 30.03 N ATOM 1877 CA ILE A 128 -5.386 3.000 4.231 1.00 21.42 C ATOM 1878 C ILE A 128 -5.492 4.326 3.516 1.00 24.42 C ATOM 1879 O ILE A 128 -5.471 4.372 2.281 1.00 2.15 O ATOM 1880 CB ILE A 128 -3.938 2.462 4.030 1.00 23.12 C ATOM 1881 CG1 ILE A 128 -3.847 0.975 4.424 1.00 23.43 C ATOM 1882 CG2 ILE A 128 -2.954 3.290 4.859 1.00 21.23 C ATOM 1883 CD1 ILE A 128 -2.481 0.349 4.199 1.00 53.31 C ATOM 0 H ILE A 128 -6.087 1.780 2.733 1.00 30.03 H new ATOM 0 HA ILE A 128 -5.586 3.096 5.298 1.00 21.42 H new ATOM 0 HB ILE A 128 -3.679 2.551 2.975 1.00 23.12 H new ATOM 0 HG12 ILE A 128 -4.111 0.874 5.477 1.00 23.43 H new ATOM 0 HG13 ILE A 128 -4.588 0.415 3.854 1.00 23.43 H new ATOM 0 HG21 ILE A 128 -1.944 2.908 4.713 1.00 21.23 H new ATOM 0 HG22 ILE A 128 -2.997 4.332 4.541 1.00 21.23 H new ATOM 0 HG23 ILE A 128 -3.219 3.221 5.914 1.00 21.23 H new ATOM 0 HD11 ILE A 128 -2.506 -0.698 4.503 1.00 53.31 H new ATOM 0 HD12 ILE A 128 -2.220 0.414 3.143 1.00 53.31 H new ATOM 0 HD13 ILE A 128 -1.735 0.881 4.790 1.00 53.31 H new ATOM 1895 N GLN A 129 -5.681 5.378 4.244 1.00 73.10 N ATOM 1896 CA GLN A 129 -5.618 6.669 3.646 1.00 43.35 C ATOM 1897 C GLN A 129 -4.324 7.289 4.062 1.00 54.21 C ATOM 1898 O GLN A 129 -4.108 7.572 5.242 1.00 20.12 O ATOM 1899 CB GLN A 129 -6.804 7.574 4.025 1.00 71.21 C ATOM 1900 CG GLN A 129 -6.711 8.981 3.428 1.00 52.55 C ATOM 1901 CD GLN A 129 -7.862 9.894 3.818 1.00 72.32 C ATOM 1902 OE1 GLN A 129 -8.992 9.455 4.033 1.00 54.25 O ATOM 1903 NE2 GLN A 129 -7.579 11.168 3.927 1.00 31.14 N ATOM 0 H GLN A 129 -5.879 5.369 5.245 1.00 73.10 H new ATOM 0 HA GLN A 129 -5.677 6.558 2.563 1.00 43.35 H new ATOM 0 HB2 GLN A 129 -7.730 7.106 3.690 1.00 71.21 H new ATOM 0 HB3 GLN A 129 -6.860 7.651 5.111 1.00 71.21 H new ATOM 0 HG2 GLN A 129 -5.774 9.438 3.746 1.00 52.55 H new ATOM 0 HG3 GLN A 129 -6.675 8.902 2.341 1.00 52.55 H new ATOM 0 HE21 GLN A 129 -6.632 11.498 3.741 1.00 31.14 H new ATOM 0 HE22 GLN A 129 -8.306 11.831 4.197 1.00 31.14 H new ATOM 1912 N ILE A 130 -3.454 7.452 3.123 1.00 1.30 N ATOM 1913 CA ILE A 130 -2.199 8.075 3.392 1.00 13.21 C ATOM 1914 C ILE A 130 -2.253 9.486 2.903 1.00 61.54 C ATOM 1915 O ILE A 130 -2.228 9.749 1.690 1.00 45.43 O ATOM 1916 CB ILE A 130 -0.971 7.298 2.825 1.00 71.11 C ATOM 1917 CG1 ILE A 130 -1.158 6.920 1.342 1.00 5.55 C ATOM 1918 CG2 ILE A 130 -0.684 6.063 3.674 1.00 43.23 C ATOM 1919 CD1 ILE A 130 0.042 6.226 0.732 1.00 75.45 C ATOM 0 H ILE A 130 -3.589 7.161 2.155 1.00 1.30 H new ATOM 0 HA ILE A 130 -2.041 8.063 4.470 1.00 13.21 H new ATOM 0 HB ILE A 130 -0.109 7.964 2.875 1.00 71.11 H new ATOM 0 HG12 ILE A 130 -2.028 6.270 1.249 1.00 5.55 H new ATOM 0 HG13 ILE A 130 -1.373 7.823 0.771 1.00 5.55 H new ATOM 0 HG21 ILE A 130 0.176 5.532 3.265 1.00 43.23 H new ATOM 0 HG22 ILE A 130 -0.469 6.368 4.698 1.00 43.23 H new ATOM 0 HG23 ILE A 130 -1.554 5.406 3.666 1.00 43.23 H new ATOM 0 HD11 ILE A 130 -0.165 5.992 -0.312 1.00 75.45 H new ATOM 0 HD12 ILE A 130 0.911 6.882 0.791 1.00 75.45 H new ATOM 0 HD13 ILE A 130 0.245 5.304 1.277 1.00 75.45 H new ATOM 1931 N GLY A 131 -2.454 10.381 3.831 1.00 63.24 N ATOM 1932 CA GLY A 131 -2.578 11.757 3.507 1.00 53.21 C ATOM 1933 C GLY A 131 -3.904 12.034 2.862 1.00 13.14 C ATOM 1934 O GLY A 131 -4.910 12.244 3.547 1.00 22.35 O ATOM 0 H GLY A 131 -2.535 10.169 4.825 1.00 63.24 H new ATOM 0 HA2 GLY A 131 -2.475 12.359 4.410 1.00 53.21 H new ATOM 0 HA3 GLY A 131 -1.772 12.051 2.834 1.00 53.21 H new ATOM 1938 N LYS A 132 -3.937 11.954 1.564 1.00 20.25 N ATOM 1939 CA LYS A 132 -5.127 12.270 0.828 1.00 21.21 C ATOM 1940 C LYS A 132 -5.429 11.168 -0.197 1.00 2.42 C ATOM 1941 O LYS A 132 -6.391 11.252 -0.953 1.00 3.01 O ATOM 1942 CB LYS A 132 -4.918 13.614 0.128 1.00 13.10 C ATOM 1943 CG LYS A 132 -6.183 14.281 -0.366 1.00 23.34 C ATOM 1944 CD LYS A 132 -5.864 15.580 -1.071 1.00 75.13 C ATOM 1945 CE LYS A 132 -7.124 16.372 -1.352 1.00 62.11 C ATOM 1946 NZ LYS A 132 -7.784 16.811 -0.103 1.00 32.33 N ATOM 0 H LYS A 132 -3.145 11.670 0.988 1.00 20.25 H new ATOM 0 HA LYS A 132 -5.978 12.336 1.505 1.00 21.21 H new ATOM 0 HB2 LYS A 132 -4.414 14.291 0.817 1.00 13.10 H new ATOM 0 HB3 LYS A 132 -4.249 13.465 -0.719 1.00 13.10 H new ATOM 0 HG2 LYS A 132 -6.710 13.612 -1.047 1.00 23.34 H new ATOM 0 HG3 LYS A 132 -6.851 14.472 0.474 1.00 23.34 H new ATOM 0 HD2 LYS A 132 -5.187 16.174 -0.457 1.00 75.13 H new ATOM 0 HD3 LYS A 132 -5.346 15.372 -2.007 1.00 75.13 H new ATOM 0 HE2 LYS A 132 -6.878 17.243 -1.959 1.00 62.11 H new ATOM 0 HE3 LYS A 132 -7.815 15.762 -1.934 1.00 62.11 H new ATOM 0 HZ1 LYS A 132 -8.421 17.607 -0.308 1.00 32.33 H new ATOM 0 HZ2 LYS A 132 -8.333 16.022 0.295 1.00 32.33 H new ATOM 0 HZ3 LYS A 132 -7.063 17.113 0.583 1.00 32.33 H new ATOM 1960 N PHE A 133 -4.638 10.122 -0.195 1.00 54.40 N ATOM 1961 CA PHE A 133 -4.797 9.067 -1.190 1.00 73.02 C ATOM 1962 C PHE A 133 -5.517 7.888 -0.574 1.00 45.13 C ATOM 1963 O PHE A 133 -5.319 7.593 0.612 1.00 11.04 O ATOM 1964 CB PHE A 133 -3.427 8.644 -1.731 1.00 11.22 C ATOM 1965 CG PHE A 133 -2.598 9.817 -2.164 1.00 3.54 C ATOM 1966 CD1 PHE A 133 -3.019 10.638 -3.194 1.00 1.23 C ATOM 1967 CD2 PHE A 133 -1.423 10.128 -1.507 1.00 53.02 C ATOM 1968 CE1 PHE A 133 -2.274 11.736 -3.566 1.00 12.31 C ATOM 1969 CE2 PHE A 133 -0.682 11.224 -1.873 1.00 45.24 C ATOM 1970 CZ PHE A 133 -1.109 12.029 -2.903 1.00 63.15 C ATOM 0 H PHE A 133 -3.883 9.971 0.474 1.00 54.40 H new ATOM 0 HA PHE A 133 -5.393 9.443 -2.022 1.00 73.02 H new ATOM 0 HB2 PHE A 133 -2.891 8.088 -0.962 1.00 11.22 H new ATOM 0 HB3 PHE A 133 -3.565 7.968 -2.575 1.00 11.22 H new ATOM 0 HD1 PHE A 133 -3.941 10.417 -3.712 1.00 1.23 H new ATOM 0 HD2 PHE A 133 -1.083 9.501 -0.696 1.00 53.02 H new ATOM 0 HE1 PHE A 133 -2.607 12.365 -4.378 1.00 12.31 H new ATOM 0 HE2 PHE A 133 0.236 11.454 -1.352 1.00 45.24 H new ATOM 0 HZ PHE A 133 -0.527 12.892 -3.190 1.00 63.15 H new ATOM 1980 N ARG A 134 -6.356 7.217 -1.351 1.00 15.03 N ATOM 1981 CA ARG A 134 -7.117 6.107 -0.826 1.00 52.24 C ATOM 1982 C ARG A 134 -6.518 4.830 -1.387 1.00 42.41 C ATOM 1983 O ARG A 134 -6.481 4.616 -2.615 1.00 62.02 O ATOM 1984 CB ARG A 134 -8.616 6.271 -1.215 1.00 32.32 C ATOM 1985 CG ARG A 134 -9.649 5.413 -0.435 1.00 73.11 C ATOM 1986 CD ARG A 134 -9.600 3.922 -0.757 1.00 64.14 C ATOM 1987 NE ARG A 134 -10.621 3.157 -0.001 1.00 51.45 N ATOM 1988 CZ ARG A 134 -11.240 2.039 -0.438 1.00 3.22 C ATOM 1989 NH1 ARG A 134 -11.074 1.633 -1.691 1.00 54.32 N ATOM 1990 NH2 ARG A 134 -12.083 1.384 0.361 1.00 75.35 N ATOM 0 H ARG A 134 -6.522 7.424 -2.336 1.00 15.03 H new ATOM 0 HA ARG A 134 -7.071 6.071 0.262 1.00 52.24 H new ATOM 0 HB2 ARG A 134 -8.885 7.320 -1.090 1.00 32.32 H new ATOM 0 HB3 ARG A 134 -8.717 6.040 -2.275 1.00 32.32 H new ATOM 0 HG2 ARG A 134 -9.482 5.547 0.634 1.00 73.11 H new ATOM 0 HG3 ARG A 134 -10.650 5.786 -0.651 1.00 73.11 H new ATOM 0 HD2 ARG A 134 -9.756 3.777 -1.826 1.00 64.14 H new ATOM 0 HD3 ARG A 134 -8.609 3.533 -0.524 1.00 64.14 H new ATOM 0 HE ARG A 134 -10.876 3.503 0.924 1.00 51.45 H new ATOM 0 HH11 ARG A 134 -10.478 2.166 -2.325 1.00 54.32 H new ATOM 0 HH12 ARG A 134 -11.542 0.788 -2.020 1.00 54.32 H new ATOM 0 HH21 ARG A 134 -12.262 1.727 1.305 1.00 75.35 H new ATOM 0 HH22 ARG A 134 -12.549 0.540 0.028 1.00 75.35 H new ATOM 2004 N LEU A 135 -6.091 3.991 -0.500 1.00 72.31 N ATOM 2005 CA LEU A 135 -5.434 2.767 -0.832 1.00 33.51 C ATOM 2006 C LEU A 135 -6.193 1.628 -0.186 1.00 12.05 C ATOM 2007 O LEU A 135 -6.707 1.785 0.915 1.00 3.23 O ATOM 2008 CB LEU A 135 -4.014 2.827 -0.250 1.00 20.15 C ATOM 2009 CG LEU A 135 -3.083 1.659 -0.546 1.00 41.14 C ATOM 2010 CD1 LEU A 135 -2.734 1.634 -2.011 1.00 42.30 C ATOM 2011 CD2 LEU A 135 -1.826 1.752 0.303 1.00 13.13 C ATOM 0 H LEU A 135 -6.192 4.142 0.504 1.00 72.31 H new ATOM 0 HA LEU A 135 -5.396 2.618 -1.911 1.00 33.51 H new ATOM 0 HB2 LEU A 135 -3.539 3.737 -0.616 1.00 20.15 H new ATOM 0 HB3 LEU A 135 -4.098 2.924 0.832 1.00 20.15 H new ATOM 0 HG LEU A 135 -3.595 0.730 -0.295 1.00 41.14 H new ATOM 0 HD11 LEU A 135 -2.068 0.795 -2.212 1.00 42.30 H new ATOM 0 HD12 LEU A 135 -3.644 1.524 -2.600 1.00 42.30 H new ATOM 0 HD13 LEU A 135 -2.237 2.565 -2.283 1.00 42.30 H new ATOM 0 HD21 LEU A 135 -1.172 0.909 0.078 1.00 13.13 H new ATOM 0 HD22 LEU A 135 -1.306 2.684 0.082 1.00 13.13 H new ATOM 0 HD23 LEU A 135 -2.097 1.729 1.358 1.00 13.13 H new ATOM 2023 N VAL A 136 -6.300 0.523 -0.855 1.00 13.41 N ATOM 2024 CA VAL A 136 -6.902 -0.639 -0.261 1.00 71.50 C ATOM 2025 C VAL A 136 -5.840 -1.721 -0.194 1.00 33.22 C ATOM 2026 O VAL A 136 -5.109 -1.950 -1.170 1.00 22.24 O ATOM 2027 CB VAL A 136 -8.217 -1.106 -0.984 1.00 14.20 C ATOM 2028 CG1 VAL A 136 -7.980 -1.498 -2.429 1.00 60.23 C ATOM 2029 CG2 VAL A 136 -8.901 -2.234 -0.215 1.00 54.42 C ATOM 0 H VAL A 136 -5.979 0.396 -1.815 1.00 13.41 H new ATOM 0 HA VAL A 136 -7.244 -0.395 0.745 1.00 71.50 H new ATOM 0 HB VAL A 136 -8.887 -0.246 -0.997 1.00 14.20 H new ATOM 0 HG11 VAL A 136 -8.921 -1.812 -2.880 1.00 60.23 H new ATOM 0 HG12 VAL A 136 -7.582 -0.644 -2.977 1.00 60.23 H new ATOM 0 HG13 VAL A 136 -7.266 -2.320 -2.470 1.00 60.23 H new ATOM 0 HG21 VAL A 136 -9.807 -2.535 -0.740 1.00 54.42 H new ATOM 0 HG22 VAL A 136 -8.225 -3.086 -0.141 1.00 54.42 H new ATOM 0 HG23 VAL A 136 -9.160 -1.888 0.786 1.00 54.42 H new ATOM 2039 N PHE A 137 -5.698 -2.314 0.949 1.00 42.52 N ATOM 2040 CA PHE A 137 -4.645 -3.252 1.186 1.00 42.32 C ATOM 2041 C PHE A 137 -5.220 -4.653 1.347 1.00 71.32 C ATOM 2042 O PHE A 137 -6.183 -4.861 2.104 1.00 2.05 O ATOM 2043 CB PHE A 137 -3.880 -2.821 2.436 1.00 13.34 C ATOM 2044 CG PHE A 137 -2.547 -3.472 2.599 1.00 44.21 C ATOM 2045 CD1 PHE A 137 -1.424 -2.912 2.010 1.00 42.41 C ATOM 2046 CD2 PHE A 137 -2.407 -4.623 3.341 1.00 15.45 C ATOM 2047 CE1 PHE A 137 -0.186 -3.491 2.157 1.00 52.34 C ATOM 2048 CE2 PHE A 137 -1.176 -5.206 3.490 1.00 1.32 C ATOM 2049 CZ PHE A 137 -0.060 -4.640 2.898 1.00 31.42 C ATOM 0 H PHE A 137 -6.312 -2.161 1.749 1.00 42.52 H new ATOM 0 HA PHE A 137 -3.960 -3.272 0.339 1.00 42.32 H new ATOM 0 HB2 PHE A 137 -3.742 -1.740 2.408 1.00 13.34 H new ATOM 0 HB3 PHE A 137 -4.488 -3.042 3.313 1.00 13.34 H new ATOM 0 HD1 PHE A 137 -1.523 -2.008 1.427 1.00 42.41 H new ATOM 0 HD2 PHE A 137 -3.272 -5.069 3.808 1.00 15.45 H new ATOM 0 HE1 PHE A 137 0.681 -3.045 1.693 1.00 52.34 H new ATOM 0 HE2 PHE A 137 -1.076 -6.111 4.072 1.00 1.32 H new ATOM 0 HZ PHE A 137 0.909 -5.102 3.019 1.00 31.42 H new ATOM 2059 N LEU A 138 -4.655 -5.592 0.627 1.00 63.34 N ATOM 2060 CA LEU A 138 -5.099 -6.969 0.650 1.00 33.41 C ATOM 2061 C LEU A 138 -3.906 -7.866 0.920 1.00 12.02 C ATOM 2062 O LEU A 138 -2.760 -7.416 0.900 1.00 5.11 O ATOM 2063 CB LEU A 138 -5.746 -7.402 -0.701 1.00 51.11 C ATOM 2064 CG LEU A 138 -7.036 -6.692 -1.190 1.00 44.24 C ATOM 2065 CD1 LEU A 138 -8.124 -6.717 -0.141 1.00 45.12 C ATOM 2066 CD2 LEU A 138 -6.771 -5.277 -1.693 1.00 42.43 C ATOM 0 H LEU A 138 -3.867 -5.422 0.002 1.00 63.34 H new ATOM 0 HA LEU A 138 -5.852 -7.061 1.432 1.00 33.41 H new ATOM 0 HB2 LEU A 138 -4.992 -7.281 -1.478 1.00 51.11 H new ATOM 0 HB3 LEU A 138 -5.965 -8.468 -0.632 1.00 51.11 H new ATOM 0 HG LEU A 138 -7.396 -7.264 -2.046 1.00 44.24 H new ATOM 0 HD11 LEU A 138 -9.010 -6.210 -0.523 1.00 45.12 H new ATOM 0 HD12 LEU A 138 -8.373 -7.750 0.100 1.00 45.12 H new ATOM 0 HD13 LEU A 138 -7.775 -6.209 0.758 1.00 45.12 H new ATOM 0 HD21 LEU A 138 -7.707 -4.827 -2.023 1.00 42.43 H new ATOM 0 HD22 LEU A 138 -6.344 -4.679 -0.888 1.00 42.43 H new ATOM 0 HD23 LEU A 138 -6.072 -5.313 -2.528 1.00 42.43 H new ATOM 2078 N ALA A 139 -4.161 -9.115 1.168 1.00 25.31 N ATOM 2079 CA ALA A 139 -3.102 -10.076 1.360 1.00 52.25 C ATOM 2080 C ALA A 139 -2.728 -10.679 0.012 1.00 32.43 C ATOM 2081 O ALA A 139 -3.467 -10.522 -0.967 1.00 53.33 O ATOM 2082 CB ALA A 139 -3.543 -11.166 2.329 1.00 53.01 C ATOM 0 H ALA A 139 -5.102 -9.502 1.244 1.00 25.31 H new ATOM 0 HA ALA A 139 -2.232 -9.578 1.787 1.00 52.25 H new ATOM 0 HB1 ALA A 139 -2.733 -11.883 2.463 1.00 53.01 H new ATOM 0 HB2 ALA A 139 -3.794 -10.718 3.290 1.00 53.01 H new ATOM 0 HB3 ALA A 139 -4.418 -11.678 1.927 1.00 53.01 H new ATOM 2088 N GLY A 140 -1.600 -11.328 -0.060 1.00 24.55 N ATOM 2089 CA GLY A 140 -1.211 -11.974 -1.281 1.00 43.43 C ATOM 2090 C GLY A 140 -1.874 -13.328 -1.375 1.00 10.11 C ATOM 2091 O GLY A 140 -2.054 -13.981 -0.339 1.00 53.40 O ATOM 0 H GLY A 140 -0.937 -11.423 0.709 1.00 24.55 H new ATOM 0 HA2 GLY A 140 -1.495 -11.359 -2.135 1.00 43.43 H new ATOM 0 HA3 GLY A 140 -0.127 -12.086 -1.315 1.00 43.43 H new ATOM 2095 N PRO A 141 -2.297 -13.775 -2.561 1.00 43.05 N ATOM 2096 CA PRO A 141 -2.936 -15.062 -2.702 1.00 63.33 C ATOM 2097 C PRO A 141 -1.935 -16.184 -2.618 1.00 62.13 C ATOM 2098 O PRO A 141 -1.003 -16.267 -3.414 1.00 40.31 O ATOM 2099 CB PRO A 141 -3.578 -15.038 -4.083 1.00 45.43 C ATOM 2100 CG PRO A 141 -3.326 -13.666 -4.632 1.00 0.23 C ATOM 2101 CD PRO A 141 -2.182 -13.088 -3.847 1.00 53.25 C ATOM 0 HA PRO A 141 -3.661 -15.233 -1.906 1.00 63.33 H new ATOM 0 HB2 PRO A 141 -3.144 -15.802 -4.728 1.00 45.43 H new ATOM 0 HB3 PRO A 141 -4.647 -15.243 -4.020 1.00 45.43 H new ATOM 0 HG2 PRO A 141 -3.082 -13.713 -5.693 1.00 0.23 H new ATOM 0 HG3 PRO A 141 -4.215 -13.042 -4.537 1.00 0.23 H new ATOM 0 HD2 PRO A 141 -1.222 -13.283 -4.326 1.00 53.25 H new ATOM 0 HD3 PRO A 141 -2.270 -12.007 -3.738 1.00 53.25 H new