USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 590 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 79 THR OG1 : rot 180:sc= -0.444 USER MOD Set 1.2: A 87 GLN : amide:sc= -8.85! C(o=-9.3!,f=-22!) USER MOD Set 2.1: A 69 SER OG : rot -60:sc= 0.971 USER MOD Set 2.2: A 70 ASN : amide:sc= -0.176 K(o=0.8,f=-5!) USER MOD Set 3.1: A 31 THR OG1 : rot 150:sc= -7.28! USER MOD Set 3.2: A 39 GLN : amide:sc= -5.09! C(o=-12!,f=-15!) USER MOD Set 4.1: A 21 SER OG : rot 39:sc= 0.967 USER MOD Set 4.2: A 22 ASN : amide:sc= -5.73! K(o=-4.8!,f=-4.2) USER MOD Set 5.1: A 1 GLY N :NH3+ -155:sc= -26.7! (180deg=-15.8!) USER MOD Set 5.2: A 23 ASN : amide:sc= -24.4! C(o=-51!,f=-46!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 32:sc= 0.894 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.35) USER MOD Single : A 12 ASN : amide:sc= -2.26! C(o=-2.3!,f=-6!) USER MOD Single : A 13 ASN : amide:sc= -2.32 K(o=-2.3,f=-3.5!) USER MOD Single : A 18 ASN : amide:sc= -9.59! C(o=-9.6!,f=-16!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 1:sc= 0.943 USER MOD Single : A 34 SER OG : rot -33:sc= 0.326 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -4.26! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= -0.864 (180deg=-1.33!) USER MOD Single : A 53 THR OG1 : rot -138:sc= -7.31! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.73 X(o=-1.7,f=-1.6) USER MOD Single : A 66 ASN : amide:sc= -6.46! C(o=-6.5!,f=-5.2!) USER MOD Single : A 71 SER OG : rot -59:sc= 0.277 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.15! C(o=-3.2!,f=-5.6!) USER MOD Single : A 81 SER OG : rot -72:sc= 0.195 USER MOD Single : A 82 SER OG : rot 29:sc= 0.614 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -7.37! C(o=-7.4!,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.131 -5.349 3.915 1.00 1.00 N ATOM 2 CA GLY A 1 6.664 -6.412 3.319 1.00 1.00 C ATOM 3 C GLY A 1 6.408 -7.494 4.356 1.00 1.00 C ATOM 4 O GLY A 1 7.379 -7.993 4.937 1.00 1.00 O ATOM 0 H1 GLY A 1 6.917 -4.508 3.342 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.688 -5.253 4.851 1.00 1.00 H new ATOM 0 H3 GLY A 1 8.161 -5.438 4.027 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.741 -6.172 2.791 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.375 -6.767 2.573 1.00 1.00 H new ATOM 10 N SER A 2 5.098 -8.025 4.511 1.00 1.00 N ATOM 11 CA SER A 2 4.905 -9.187 5.366 1.00 1.00 C ATOM 12 C SER A 2 3.857 -9.967 4.743 1.00 1.00 C ATOM 13 O SER A 2 4.111 -11.042 4.192 1.00 1.00 O ATOM 14 CB SER A 2 4.600 -8.807 6.779 1.00 1.00 C ATOM 15 OG SER A 2 4.987 -9.851 7.661 1.00 1.00 O ATOM 0 H SER A 2 4.256 -7.658 4.067 1.00 1.00 H new ATOM 0 HA SER A 2 5.818 -9.777 5.449 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.126 -7.888 7.038 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.534 -8.605 6.887 1.00 1.00 H new ATOM 0 HG SER A 2 4.785 -9.591 8.584 1.00 1.00 H new ATOM 21 N GLY A 3 2.703 -9.532 4.848 1.00 1.00 N ATOM 22 CA GLY A 3 1.611 -10.237 4.293 1.00 1.00 C ATOM 23 C GLY A 3 0.489 -9.319 4.004 1.00 1.00 C ATOM 24 O GLY A 3 0.541 -8.155 4.344 1.00 1.00 O ATOM 0 H GLY A 3 2.455 -8.665 5.324 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.923 -10.738 3.376 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.283 -11.013 4.985 1.00 1.00 H new ATOM 28 N PRO A 4 -0.555 -9.814 3.388 1.00 1.00 N ATOM 29 CA PRO A 4 -1.735 -8.983 3.063 1.00 1.00 C ATOM 30 C PRO A 4 -2.193 -8.418 4.212 1.00 1.00 C ATOM 31 O PRO A 4 -3.057 -8.977 4.855 1.00 1.00 O ATOM 32 CB PRO A 4 -2.778 -9.955 2.470 1.00 1.00 C ATOM 33 CG PRO A 4 -2.208 -11.349 2.734 1.00 1.00 C ATOM 34 CD PRO A 4 -0.689 -11.169 2.966 1.00 1.00 C ATOM 0 HA PRO A 4 -1.513 -8.181 2.359 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.751 -9.829 2.945 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.919 -9.781 1.403 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.682 -11.803 3.604 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.395 -12.011 1.888 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.318 -11.860 3.723 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.122 -11.360 2.055 1.00 1.00 H new ATOM 42 N THR A 5 -1.694 -7.339 4.551 1.00 1.00 N ATOM 43 CA THR A 5 -2.064 -6.706 5.721 1.00 1.00 C ATOM 44 C THR A 5 -0.987 -5.893 6.233 1.00 1.00 C ATOM 45 O THR A 5 -1.243 -5.133 7.049 1.00 1.00 O ATOM 46 CB THR A 5 -2.407 -7.679 6.914 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.193 -6.997 8.162 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.513 -9.008 6.903 1.00 1.00 C ATOM 0 H THR A 5 -0.987 -6.842 4.008 1.00 1.00 H new ATOM 0 HA THR A 5 -2.947 -6.138 5.429 1.00 1.00 H new ATOM 0 HB THR A 5 -3.450 -7.974 6.796 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.384 -6.042 8.050 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.791 -9.641 7.746 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.678 -9.550 5.972 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.460 -8.739 6.984 1.00 1.00 H new ATOM 56 N TYR A 6 0.440 -6.234 5.913 1.00 1.00 N ATOM 57 CA TYR A 6 1.466 -5.524 6.652 1.00 1.00 C ATOM 58 C TYR A 6 1.200 -4.348 6.900 1.00 1.00 C ATOM 59 O TYR A 6 1.660 -3.778 7.922 1.00 1.00 O ATOM 60 CB TYR A 6 2.857 -5.553 6.181 1.00 1.00 C ATOM 61 CG TYR A 6 3.791 -5.119 7.616 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.103 -6.106 8.589 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.210 -3.771 7.885 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.815 -5.767 9.752 1.00 1.00 C ATOM 65 CE2 TYR A 6 4.920 -3.467 9.057 1.00 1.00 C ATOM 66 CZ TYR A 6 5.222 -4.461 9.976 1.00 1.00 C ATOM 67 OH TYR A 6 5.921 -4.148 11.126 1.00 1.00 O ATOM 0 H TYR A 6 0.760 -6.917 5.226 1.00 1.00 H new ATOM 0 HA TYR A 6 1.433 -6.154 7.541 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.133 -6.539 5.806 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.020 -4.846 5.368 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.790 -7.128 8.433 1.00 1.00 H new ATOM 0 HD2 TYR A 6 3.977 -2.986 7.180 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.047 -6.532 10.479 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.234 -2.451 9.245 1.00 1.00 H new ATOM 0 HH TYR A 6 6.133 -3.191 11.130 1.00 1.00 H new ATOM 77 N CYS A 7 0.432 -3.797 6.078 1.00 1.00 N ATOM 78 CA CYS A 7 0.092 -2.577 6.282 1.00 1.00 C ATOM 79 C CYS A 7 1.177 -1.660 6.510 1.00 1.00 C ATOM 80 O CYS A 7 1.180 -0.923 7.511 1.00 1.00 O ATOM 81 CB CYS A 7 -0.795 -2.544 7.448 1.00 1.00 C ATOM 82 SG CYS A 7 -1.504 -0.826 7.667 1.00 1.00 S ATOM 0 H CYS A 7 0.042 -4.235 5.243 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.387 -2.240 5.362 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.602 -3.266 7.321 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.244 -2.835 8.342 1.00 1.00 H new ATOM 87 N TRP A 8 2.045 -1.616 5.582 1.00 1.00 N ATOM 88 CA TRP A 8 3.109 -0.614 5.671 1.00 1.00 C ATOM 89 C TRP A 8 2.369 0.634 6.073 1.00 1.00 C ATOM 90 O TRP A 8 1.622 1.110 5.271 1.00 1.00 O ATOM 91 CB TRP A 8 3.737 -0.365 4.368 1.00 1.00 C ATOM 92 CG TRP A 8 5.032 0.587 4.599 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.327 1.805 3.942 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.167 0.409 5.592 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.528 2.283 4.404 1.00 1.00 N ATOM 96 CE2 TRP A 8 7.075 1.479 5.430 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.500 -0.593 6.604 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.231 1.573 6.209 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.657 -0.467 7.366 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.514 0.601 7.176 1.00 1.00 C ATOM 0 H TRP A 8 2.072 -2.225 4.764 1.00 1.00 H new ATOM 0 HA TRP A 8 3.899 -0.928 6.353 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.035 -1.305 3.904 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.030 0.114 3.691 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.707 2.282 3.197 1.00 1.00 H new ATOM 0 HE1 TRP A 8 6.977 3.126 4.046 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.843 -1.436 6.761 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 8.910 2.400 6.064 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.888 -1.211 8.114 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.407 0.686 7.777 1.00 1.00 H new ATOM 111 N ASN A 9 2.425 1.109 7.339 1.00 1.00 N ATOM 112 CA ASN A 9 1.569 2.212 7.729 1.00 1.00 C ATOM 113 C ASN A 9 1.269 3.157 6.670 1.00 1.00 C ATOM 114 O ASN A 9 0.130 3.593 6.514 1.00 1.00 O ATOM 115 CB ASN A 9 2.156 2.935 8.930 1.00 1.00 C ATOM 116 CG ASN A 9 2.334 1.962 10.096 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.417 1.205 10.422 1.00 1.00 O ATOM 118 ND2 ASN A 9 3.468 1.938 10.749 1.00 1.00 N ATOM 0 H ASN A 9 3.036 0.750 8.072 1.00 1.00 H new ATOM 0 HA ASN A 9 0.613 1.757 7.988 1.00 1.00 H new ATOM 0 HB2 ASN A 9 3.117 3.376 8.665 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.501 3.754 9.227 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.594 1.292 11.529 1.00 1.00 H new ATOM 0 HD22 ASN A 9 4.226 2.565 10.478 1.00 1.00 H new ATOM 125 N GLU A 10 2.199 3.479 5.986 1.00 1.00 N ATOM 126 CA GLU A 10 2.049 4.403 4.931 1.00 1.00 C ATOM 127 C GLU A 10 1.329 5.683 5.388 1.00 1.00 C ATOM 128 O GLU A 10 0.338 6.120 4.784 1.00 1.00 O ATOM 129 CB GLU A 10 1.299 3.842 3.690 1.00 1.00 C ATOM 130 CG GLU A 10 2.136 2.890 2.973 1.00 1.00 C ATOM 131 CD GLU A 10 1.303 2.083 1.967 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.600 2.697 1.186 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.387 0.863 1.998 1.00 1.00 O ATOM 0 H GLU A 10 3.147 3.123 6.106 1.00 1.00 H new ATOM 0 HA GLU A 10 3.073 4.626 4.631 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.375 3.357 4.005 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.019 4.660 3.027 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.932 3.420 2.451 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.615 2.214 3.681 1.00 1.00 H new ATOM 140 N ALA A 11 1.908 6.313 6.381 1.00 1.00 N ATOM 141 CA ALA A 11 1.474 7.495 6.809 1.00 1.00 C ATOM 142 C ALA A 11 2.550 8.054 7.639 1.00 1.00 C ATOM 143 O ALA A 11 2.854 7.528 8.705 1.00 1.00 O ATOM 144 CB ALA A 11 0.218 7.412 7.527 1.00 1.00 C ATOM 0 H ALA A 11 2.716 5.953 6.889 1.00 1.00 H new ATOM 0 HA ALA A 11 1.254 8.144 5.961 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.083 8.409 7.850 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.548 6.996 6.873 1.00 1.00 H new ATOM 0 HB3 ALA A 11 0.339 6.769 8.399 1.00 1.00 H new ATOM 150 N ASN A 12 3.052 9.089 7.203 1.00 1.00 N ATOM 151 CA ASN A 12 4.135 9.880 7.904 1.00 1.00 C ATOM 152 C ASN A 12 5.065 10.748 6.823 1.00 1.00 C ATOM 153 O ASN A 12 6.264 10.919 7.023 1.00 1.00 O ATOM 154 CB ASN A 12 5.007 8.918 8.773 1.00 1.00 C ATOM 155 CG ASN A 12 6.394 9.488 9.043 1.00 1.00 C ATOM 156 OD1 ASN A 12 7.346 9.170 8.333 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.563 10.319 10.037 1.00 1.00 N ATOM 0 H ASN A 12 2.769 9.502 6.314 1.00 1.00 H new ATOM 0 HA ASN A 12 3.663 10.611 8.560 1.00 1.00 H new ATOM 0 HB2 ASN A 12 4.503 8.729 9.721 1.00 1.00 H new ATOM 0 HB3 ASN A 12 5.103 7.958 8.265 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.487 10.706 10.226 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.771 10.580 10.624 1.00 1.00 H new ATOM 164 N ASN A 13 4.401 11.369 5.747 1.00 1.00 N ATOM 165 CA ASN A 13 5.113 12.259 4.782 1.00 1.00 C ATOM 166 C ASN A 13 4.178 12.672 3.557 1.00 1.00 C ATOM 167 O ASN A 13 3.137 12.059 3.326 1.00 1.00 O ATOM 168 CB ASN A 13 6.380 11.574 4.238 1.00 1.00 C ATOM 169 CG ASN A 13 7.618 12.497 4.349 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.175 12.915 3.334 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.066 12.828 5.525 1.00 1.00 N ATOM 0 H ASN A 13 3.406 11.256 5.555 1.00 1.00 H new ATOM 0 HA ASN A 13 5.389 13.160 5.329 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.562 10.652 4.790 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.225 11.296 3.196 1.00 1.00 H new ATOM 0 HD21 ASN A 13 8.881 13.436 5.608 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.602 12.480 6.364 1.00 1.00 H new ATOM 178 N PRO A 14 4.602 13.709 2.766 1.00 1.00 N ATOM 179 CA PRO A 14 3.875 14.192 1.531 1.00 1.00 C ATOM 180 C PRO A 14 4.361 13.498 0.185 1.00 1.00 C ATOM 181 O PRO A 14 3.538 13.146 -0.657 1.00 1.00 O ATOM 182 CB PRO A 14 4.169 15.709 1.507 1.00 1.00 C ATOM 183 CG PRO A 14 5.181 15.917 2.616 1.00 1.00 C ATOM 184 CD PRO A 14 5.730 14.521 2.983 1.00 1.00 C ATOM 0 HA PRO A 14 2.814 13.947 1.580 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.568 16.021 0.542 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.264 16.291 1.681 1.00 1.00 H new ATOM 0 HG2 PRO A 14 5.985 16.575 2.287 1.00 1.00 H new ATOM 0 HG3 PRO A 14 4.716 16.390 3.481 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.571 14.232 2.352 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.076 14.475 4.016 1.00 1.00 H new ATOM 192 N GLY A 15 5.651 13.305 0.029 1.00 1.00 N ATOM 193 CA GLY A 15 6.217 12.598 -1.271 1.00 1.00 C ATOM 194 C GLY A 15 5.611 11.222 -1.373 1.00 1.00 C ATOM 195 O GLY A 15 5.720 10.494 -2.363 1.00 1.00 O ATOM 0 H GLY A 15 6.360 13.585 0.706 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.974 13.185 -2.157 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.304 12.530 -1.222 1.00 1.00 H new ATOM 199 N GLY A 16 5.019 10.960 -0.364 1.00 1.00 N ATOM 200 CA GLY A 16 4.354 9.771 -0.137 1.00 1.00 C ATOM 201 C GLY A 16 4.051 9.672 1.227 1.00 1.00 C ATOM 202 O GLY A 16 4.135 10.635 1.922 1.00 1.00 O ATOM 0 H GLY A 16 4.959 11.608 0.421 1.00 1.00 H new ATOM 0 HA2 GLY A 16 3.440 9.732 -0.730 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.972 8.929 -0.448 1.00 1.00 H new ATOM 206 N PRO A 17 3.702 8.543 1.693 1.00 1.00 N ATOM 207 CA PRO A 17 3.375 8.366 3.112 1.00 1.00 C ATOM 208 C PRO A 17 4.578 8.529 3.817 1.00 1.00 C ATOM 209 O PRO A 17 5.399 9.271 3.372 1.00 1.00 O ATOM 210 CB PRO A 17 2.943 6.874 3.104 1.00 1.00 C ATOM 211 CG PRO A 17 2.577 6.591 1.751 1.00 1.00 C ATOM 212 CD PRO A 17 3.574 7.297 0.973 1.00 1.00 C ATOM 0 HA PRO A 17 2.633 9.036 3.547 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.756 6.228 3.434 1.00 1.00 H new ATOM 0 HB3 PRO A 17 2.106 6.704 3.781 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.594 5.520 1.547 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.570 6.943 1.526 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.517 6.753 0.931 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.251 7.454 -0.056 1.00 1.00 H new ATOM 220 N ASN A 18 4.802 7.732 4.995 1.00 1.00 N ATOM 221 CA ASN A 18 6.115 7.775 5.672 1.00 1.00 C ATOM 222 C ASN A 18 7.164 7.860 4.562 1.00 1.00 C ATOM 223 O ASN A 18 8.356 8.033 4.801 1.00 1.00 O ATOM 224 CB ASN A 18 6.372 6.430 6.519 1.00 1.00 C ATOM 225 CG ASN A 18 5.084 5.631 6.671 1.00 1.00 C ATOM 226 OD1 ASN A 18 4.165 6.056 7.344 1.00 1.00 O ATOM 227 ND2 ASN A 18 4.980 4.473 6.083 1.00 1.00 N ATOM 0 H ASN A 18 4.111 7.116 5.423 1.00 1.00 H new ATOM 0 HA ASN A 18 6.160 8.620 6.359 1.00 1.00 H new ATOM 0 HB2 ASN A 18 7.127 5.821 6.022 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.766 6.684 7.503 1.00 1.00 H new ATOM 0 HD21 ASN A 18 4.127 3.923 6.187 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.751 4.117 5.518 1.00 1.00 H new ATOM 234 N ARG A 19 6.600 7.655 3.291 1.00 1.00 N ATOM 235 CA ARG A 19 7.244 7.627 2.126 1.00 1.00 C ATOM 236 C ARG A 19 7.649 6.375 2.031 1.00 1.00 C ATOM 237 O ARG A 19 8.660 6.027 2.579 1.00 1.00 O ATOM 238 CB ARG A 19 8.360 8.757 2.003 1.00 1.00 C ATOM 239 CG ARG A 19 7.829 9.882 1.032 1.00 1.00 C ATOM 240 CD ARG A 19 8.217 9.549 -0.496 1.00 1.00 C ATOM 241 NE ARG A 19 9.092 10.604 -1.027 1.00 1.00 N ATOM 242 CZ ARG A 19 9.151 10.869 -2.331 1.00 1.00 C ATOM 243 NH1 ARG A 19 8.391 10.220 -3.164 1.00 1.00 N ATOM 244 NH2 ARG A 19 9.967 11.786 -2.772 1.00 1.00 N ATOM 0 H ARG A 19 5.598 7.505 3.175 1.00 1.00 H new ATOM 0 HA ARG A 19 6.624 7.886 1.267 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.583 9.177 2.984 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.288 8.333 1.620 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.747 9.969 1.126 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.252 10.845 1.318 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.720 8.584 -0.551 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.314 9.473 -1.102 1.00 1.00 H new ATOM 0 HE ARG A 19 9.667 11.146 -0.382 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.749 9.507 -2.819 1.00 1.00 H new ATOM 0 HH12 ARG A 19 8.438 10.424 -4.162 1.00 1.00 H new ATOM 0 HH21 ARG A 19 10.559 12.299 -2.119 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.013 11.990 -3.770 1.00 1.00 H new ATOM 258 N CYS A 20 6.657 5.473 1.218 1.00 1.00 N ATOM 259 CA CYS A 20 6.859 4.016 0.992 1.00 1.00 C ATOM 260 C CYS A 20 8.308 3.927 1.485 1.00 1.00 C ATOM 261 O CYS A 20 9.167 4.648 0.956 1.00 1.00 O ATOM 262 CB CYS A 20 6.573 3.682 -0.582 1.00 1.00 C ATOM 263 SG CYS A 20 6.636 1.802 -1.131 1.00 1.00 S ATOM 0 H CYS A 20 5.804 5.835 0.791 1.00 1.00 H new ATOM 0 HA CYS A 20 6.216 3.289 1.489 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.588 4.074 -0.836 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.299 4.232 -1.180 1.00 1.00 H new ATOM 268 N SER A 21 8.567 3.204 2.484 1.00 1.00 N ATOM 269 CA SER A 21 9.977 3.251 3.102 1.00 1.00 C ATOM 270 C SER A 21 10.640 1.912 3.480 1.00 1.00 C ATOM 271 O SER A 21 11.703 1.916 4.092 1.00 1.00 O ATOM 272 CB SER A 21 9.841 4.165 4.343 1.00 1.00 C ATOM 273 OG SER A 21 10.686 3.696 5.392 1.00 1.00 O ATOM 0 H SER A 21 7.909 2.570 2.937 1.00 1.00 H new ATOM 0 HA SER A 21 10.658 3.618 2.334 1.00 1.00 H new ATOM 0 HB2 SER A 21 10.108 5.189 4.081 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.805 4.182 4.680 1.00 1.00 H new ATOM 0 HG SER A 21 11.536 3.387 5.014 1.00 1.00 H new ATOM 279 N ASN A 22 10.080 0.818 3.091 1.00 1.00 N ATOM 280 CA ASN A 22 10.710 -0.478 3.374 1.00 1.00 C ATOM 281 C ASN A 22 10.209 -1.472 2.482 1.00 1.00 C ATOM 282 O ASN A 22 9.223 -1.274 1.832 1.00 1.00 O ATOM 283 CB ASN A 22 10.409 -0.916 4.802 1.00 1.00 C ATOM 284 CG ASN A 22 11.363 -0.249 5.789 1.00 1.00 C ATOM 285 OD1 ASN A 22 12.356 -0.850 6.200 1.00 1.00 O ATOM 286 ND2 ASN A 22 11.115 0.942 6.200 1.00 1.00 N ATOM 0 H ASN A 22 9.198 0.767 2.581 1.00 1.00 H new ATOM 0 HA ASN A 22 11.786 -0.366 3.243 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.380 -0.661 5.056 1.00 1.00 H new ATOM 0 HB3 ASN A 22 10.497 -2.000 4.881 1.00 1.00 H new ATOM 0 HD21 ASN A 22 11.741 1.392 6.868 1.00 1.00 H new ATOM 0 HD22 ASN A 22 10.292 1.438 5.858 1.00 1.00 H new ATOM 293 N ASN A 23 10.830 -2.635 2.511 1.00 1.00 N ATOM 294 CA ASN A 23 10.340 -3.689 1.744 1.00 1.00 C ATOM 295 C ASN A 23 9.961 -3.211 0.309 1.00 1.00 C ATOM 296 O ASN A 23 8.830 -3.318 -0.089 1.00 1.00 O ATOM 297 CB ASN A 23 9.080 -4.265 2.539 1.00 1.00 C ATOM 298 CG ASN A 23 8.801 -3.501 3.888 1.00 1.00 C ATOM 299 OD1 ASN A 23 8.433 -2.398 3.884 1.00 1.00 O ATOM 300 ND2 ASN A 23 8.943 -4.115 5.026 1.00 1.00 N ATOM 0 H ASN A 23 11.664 -2.842 3.061 1.00 1.00 H new ATOM 0 HA ASN A 23 11.092 -4.466 1.602 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.197 -4.203 1.903 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.244 -5.321 2.753 1.00 1.00 H new ATOM 0 HD21 ASN A 23 8.732 -3.629 5.898 1.00 1.00 H new ATOM 0 HD22 ASN A 23 9.265 -5.083 5.047 1.00 1.00 H new ATOM 307 N LYS A 24 10.942 -2.545 -0.375 1.00 1.00 N ATOM 308 CA LYS A 24 10.715 -1.877 -1.696 1.00 1.00 C ATOM 309 C LYS A 24 9.942 -0.595 -1.442 1.00 1.00 C ATOM 310 O LYS A 24 9.337 -0.038 -2.343 1.00 1.00 O ATOM 311 CB LYS A 24 10.002 -2.696 -2.719 1.00 1.00 C ATOM 312 CG LYS A 24 10.761 -3.934 -3.099 1.00 1.00 C ATOM 313 CD LYS A 24 9.795 -4.887 -3.972 1.00 1.00 C ATOM 314 CE LYS A 24 10.469 -5.291 -5.315 1.00 1.00 C ATOM 315 NZ LYS A 24 10.414 -4.140 -6.264 1.00 1.00 N ATOM 0 H LYS A 24 11.898 -2.457 -0.032 1.00 1.00 H new ATOM 0 HA LYS A 24 11.701 -1.699 -2.125 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.022 -2.979 -2.334 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.832 -2.091 -3.609 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.650 -3.671 -3.672 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.101 -4.458 -2.206 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.550 -5.783 -3.401 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.856 -4.371 -4.174 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.504 -5.584 -5.141 1.00 1.00 H new ATOM 0 HE3 LYS A 24 9.961 -6.155 -5.744 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.864 -4.409 -7.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 9.422 -3.881 -6.438 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.917 -3.328 -5.854 1.00 1.00 H new ATOM 329 N GLN A 25 10.009 -0.170 -0.134 1.00 1.00 N ATOM 330 CA GLN A 25 9.396 1.006 0.383 1.00 1.00 C ATOM 331 C GLN A 25 8.009 0.769 0.857 1.00 1.00 C ATOM 332 O GLN A 25 7.472 1.580 1.457 1.00 1.00 O ATOM 333 CB GLN A 25 9.510 2.191 -0.633 1.00 1.00 C ATOM 334 CG GLN A 25 10.891 2.883 -0.489 1.00 1.00 C ATOM 335 CD GLN A 25 11.879 2.374 -1.559 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.845 1.686 -1.234 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.684 2.674 -2.807 1.00 1.00 N ATOM 0 H GLN A 25 10.522 -0.690 0.578 1.00 1.00 H new ATOM 0 HA GLN A 25 9.950 1.300 1.275 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.384 1.822 -1.651 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.712 2.912 -0.454 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.772 3.962 -0.583 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.296 2.692 0.505 1.00 1.00 H new ATOM 0 HE21 GLN A 25 10.882 3.245 -3.075 1.00 1.00 H new ATOM 0 HE22 GLN A 25 12.333 2.339 -3.519 1.00 1.00 H new ATOM 346 N CYS A 26 7.421 -0.336 0.597 1.00 1.00 N ATOM 347 CA CYS A 26 5.982 -0.529 1.097 1.00 1.00 C ATOM 348 C CYS A 26 5.892 -1.540 2.348 1.00 1.00 C ATOM 349 O CYS A 26 6.649 -1.410 3.225 1.00 1.00 O ATOM 350 CB CYS A 26 5.111 -0.830 -0.170 1.00 1.00 C ATOM 351 SG CYS A 26 4.759 0.895 -0.987 1.00 1.00 S ATOM 0 H CYS A 26 7.824 -1.117 0.079 1.00 1.00 H new ATOM 0 HA CYS A 26 5.563 0.365 1.558 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.638 -1.490 -0.860 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.182 -1.331 0.103 1.00 1.00 H new ATOM 356 N ASP A 27 4.975 -2.486 2.318 1.00 1.00 N ATOM 357 CA ASP A 27 4.753 -3.477 3.290 1.00 1.00 C ATOM 358 C ASP A 27 3.509 -4.091 2.982 1.00 1.00 C ATOM 359 O ASP A 27 2.575 -3.446 2.504 1.00 1.00 O ATOM 360 CB ASP A 27 4.901 -3.042 4.750 1.00 1.00 C ATOM 361 CG ASP A 27 5.565 -4.135 5.585 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.273 -5.290 5.360 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.372 -3.791 6.435 1.00 1.00 O ATOM 0 H ASP A 27 4.324 -2.567 1.537 1.00 1.00 H new ATOM 0 HA ASP A 27 5.563 -4.204 3.230 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.494 -2.129 4.802 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.920 -2.809 5.164 1.00 1.00 H new ATOM 368 N GLY A 28 3.490 -5.387 3.135 1.00 1.00 N ATOM 369 CA GLY A 28 2.407 -6.175 2.770 1.00 1.00 C ATOM 370 C GLY A 28 2.888 -7.514 2.031 1.00 1.00 C ATOM 371 O GLY A 28 2.170 -8.066 1.327 1.00 1.00 O ATOM 0 H GLY A 28 4.267 -5.915 3.533 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.827 -6.434 3.656 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.748 -5.610 2.111 1.00 1.00 H new ATOM 375 N ALA A 29 4.128 -7.977 2.335 1.00 1.00 N ATOM 376 CA ALA A 29 4.712 -9.231 1.805 1.00 1.00 C ATOM 377 C ALA A 29 6.094 -9.057 1.357 1.00 1.00 C ATOM 378 O ALA A 29 6.819 -10.039 1.237 1.00 1.00 O ATOM 379 CB ALA A 29 3.829 -9.878 0.665 1.00 1.00 C ATOM 0 H ALA A 29 4.758 -7.480 2.965 1.00 1.00 H new ATOM 0 HA ALA A 29 4.723 -9.927 2.644 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.303 -10.794 0.313 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.839 -10.110 1.059 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.734 -9.177 -0.164 1.00 1.00 H new ATOM 385 N ARG A 30 6.480 -7.844 0.974 1.00 1.00 N ATOM 386 CA ARG A 30 7.844 -7.674 0.379 1.00 1.00 C ATOM 387 C ARG A 30 8.986 -8.510 1.201 1.00 1.00 C ATOM 388 O ARG A 30 8.743 -9.124 2.237 1.00 1.00 O ATOM 389 CB ARG A 30 8.246 -6.116 0.163 1.00 1.00 C ATOM 390 CG ARG A 30 7.633 -5.532 -1.055 1.00 1.00 C ATOM 391 CD ARG A 30 6.497 -4.385 -0.818 1.00 1.00 C ATOM 392 NE ARG A 30 6.929 -3.163 -1.471 1.00 1.00 N ATOM 393 CZ ARG A 30 6.613 -2.886 -2.774 1.00 1.00 C ATOM 394 NH1 ARG A 30 5.931 -3.753 -3.488 1.00 1.00 N ATOM 395 NH2 ARG A 30 7.012 -1.762 -3.310 1.00 1.00 N ATOM 0 H ARG A 30 5.920 -6.995 1.049 1.00 1.00 H new ATOM 0 HA ARG A 30 7.799 -8.111 -0.619 1.00 1.00 H new ATOM 0 HB2 ARG A 30 7.934 -5.540 1.034 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.331 -6.030 0.096 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.428 -5.104 -1.666 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.186 -6.341 -1.634 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.539 -4.712 -1.223 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.350 -4.213 0.248 1.00 1.00 H new ATOM 0 HE ARG A 30 7.485 -2.490 -0.943 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.635 -4.636 -3.072 1.00 1.00 H new ATOM 0 HH12 ARG A 30 5.697 -3.543 -4.458 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.555 -1.098 -2.758 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.780 -1.549 -4.280 1.00 1.00 H new ATOM 409 N THR A 31 10.135 -8.538 0.568 1.00 1.00 N ATOM 410 CA THR A 31 11.303 -9.255 0.932 1.00 1.00 C ATOM 411 C THR A 31 12.511 -8.490 0.724 1.00 1.00 C ATOM 412 O THR A 31 12.594 -7.943 -0.176 1.00 1.00 O ATOM 413 CB THR A 31 11.340 -10.392 -0.171 1.00 1.00 C ATOM 414 OG1 THR A 31 11.619 -9.902 -1.434 1.00 1.00 O ATOM 415 CG2 THR A 31 9.978 -11.080 -0.191 1.00 1.00 C ATOM 0 H THR A 31 10.273 -8.006 -0.291 1.00 1.00 H new ATOM 0 HA THR A 31 11.269 -9.558 1.978 1.00 1.00 H new ATOM 0 HB THR A 31 12.139 -11.087 0.087 1.00 1.00 H new ATOM 0 HG1 THR A 31 12.084 -10.589 -1.956 1.00 1.00 H new ATOM 0 HG21 THR A 31 9.979 -11.868 -0.944 1.00 1.00 H new ATOM 0 HG22 THR A 31 9.775 -11.514 0.788 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.205 -10.350 -0.431 1.00 1.00 H new ATOM 423 N CYS A 32 13.436 -8.405 1.592 1.00 1.00 N ATOM 424 CA CYS A 32 14.683 -7.474 1.218 1.00 1.00 C ATOM 425 C CYS A 32 15.635 -8.180 0.348 1.00 1.00 C ATOM 426 O CYS A 32 15.379 -9.248 -0.168 1.00 1.00 O ATOM 427 CB CYS A 32 15.390 -6.721 2.508 1.00 1.00 C ATOM 428 SG CYS A 32 16.722 -5.587 2.020 1.00 1.00 S ATOM 0 H CYS A 32 13.463 -8.869 2.500 1.00 1.00 H new ATOM 0 HA CYS A 32 14.277 -6.644 0.639 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.631 -6.166 3.059 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.791 -7.474 3.187 1.00 1.00 H new ATOM 433 N SER A 33 16.698 -7.593 0.235 1.00 1.00 N ATOM 434 CA SER A 33 17.821 -8.183 -0.611 1.00 1.00 C ATOM 435 C SER A 33 18.536 -9.170 0.164 1.00 1.00 C ATOM 436 O SER A 33 19.452 -9.850 -0.293 1.00 1.00 O ATOM 437 CB SER A 33 18.649 -7.190 -1.212 1.00 1.00 C ATOM 438 OG SER A 33 19.792 -7.805 -1.803 1.00 1.00 O ATOM 0 H SER A 33 16.915 -6.699 0.676 1.00 1.00 H new ATOM 0 HA SER A 33 17.386 -8.695 -1.469 1.00 1.00 H new ATOM 0 HB2 SER A 33 18.086 -6.644 -1.969 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.963 -6.463 -0.463 1.00 1.00 H new ATOM 0 HG SER A 33 19.743 -8.776 -1.676 1.00 1.00 H new ATOM 444 N SER A 34 18.037 -9.315 1.238 1.00 1.00 N ATOM 445 CA SER A 34 18.350 -10.233 2.192 1.00 1.00 C ATOM 446 C SER A 34 16.939 -10.963 2.553 1.00 1.00 C ATOM 447 O SER A 34 16.857 -11.684 3.545 1.00 1.00 O ATOM 448 CB SER A 34 18.896 -9.533 3.372 1.00 1.00 C ATOM 449 OG SER A 34 19.325 -10.485 4.342 1.00 1.00 O ATOM 0 H SER A 34 17.275 -8.709 1.543 1.00 1.00 H new ATOM 0 HA SER A 34 19.098 -10.954 1.863 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.732 -8.900 3.076 1.00 1.00 H new ATOM 0 HB3 SER A 34 18.137 -8.879 3.802 1.00 1.00 H new ATOM 0 HG SER A 34 18.739 -11.270 4.311 1.00 1.00 H new ATOM 455 N SER A 35 15.794 -10.739 1.625 1.00 1.00 N ATOM 456 CA SER A 35 14.575 -11.301 1.781 1.00 1.00 C ATOM 457 C SER A 35 13.927 -10.766 2.918 1.00 1.00 C ATOM 458 O SER A 35 12.761 -11.044 3.190 1.00 1.00 O ATOM 459 CB SER A 35 14.669 -12.746 1.903 1.00 1.00 C ATOM 460 OG SER A 35 15.476 -13.264 0.851 1.00 1.00 O ATOM 0 H SER A 35 15.860 -10.139 0.803 1.00 1.00 H new ATOM 0 HA SER A 35 13.989 -11.071 0.891 1.00 1.00 H new ATOM 0 HB2 SER A 35 15.099 -13.012 2.869 1.00 1.00 H new ATOM 0 HB3 SER A 35 13.674 -13.190 1.864 1.00 1.00 H new ATOM 0 HG SER A 35 15.539 -14.238 0.937 1.00 1.00 H new ATOM 466 N GLY A 36 14.683 -9.985 3.640 1.00 1.00 N ATOM 467 CA GLY A 36 14.197 -9.402 4.798 1.00 1.00 C ATOM 468 C GLY A 36 12.929 -8.788 4.496 1.00 1.00 C ATOM 469 O GLY A 36 11.888 -9.321 4.848 1.00 1.00 O ATOM 0 H GLY A 36 15.651 -9.753 3.417 1.00 1.00 H new ATOM 0 HA2 GLY A 36 14.079 -10.152 5.580 1.00 1.00 H new ATOM 0 HA3 GLY A 36 14.900 -8.658 5.173 1.00 1.00 H new ATOM 473 N PHE A 37 12.983 -7.681 3.839 1.00 1.00 N ATOM 474 CA PHE A 37 11.890 -7.016 3.502 1.00 1.00 C ATOM 475 C PHE A 37 12.313 -5.734 2.820 1.00 1.00 C ATOM 476 O PHE A 37 12.286 -4.693 3.451 1.00 1.00 O ATOM 477 CB PHE A 37 11.001 -6.690 4.806 1.00 1.00 C ATOM 478 CG PHE A 37 11.842 -6.045 5.941 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.543 -6.848 6.873 1.00 1.00 C ATOM 480 CD2 PHE A 37 11.901 -4.643 6.060 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.293 -6.245 7.893 1.00 1.00 C ATOM 482 CE2 PHE A 37 12.651 -4.056 7.083 1.00 1.00 C ATOM 483 CZ PHE A 37 13.347 -4.854 7.995 1.00 1.00 C ATOM 0 H PHE A 37 13.852 -7.242 3.535 1.00 1.00 H new ATOM 0 HA PHE A 37 11.281 -7.618 2.828 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.188 -6.018 4.531 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.544 -7.610 5.172 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.500 -7.925 6.798 1.00 1.00 H new ATOM 0 HD2 PHE A 37 11.365 -4.020 5.359 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.830 -6.858 8.601 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.693 -2.980 7.169 1.00 1.00 H new ATOM 0 HZ PHE A 37 13.928 -4.393 8.780 1.00 1.00 H new ATOM 493 N CYS A 38 12.773 -5.763 1.400 1.00 1.00 N ATOM 494 CA CYS A 38 13.200 -4.538 0.646 1.00 1.00 C ATOM 495 C CYS A 38 13.298 -4.837 -0.782 1.00 1.00 C ATOM 496 O CYS A 38 13.933 -4.139 -1.570 1.00 1.00 O ATOM 497 CB CYS A 38 14.511 -3.908 1.186 1.00 1.00 C ATOM 498 SG CYS A 38 15.945 -4.683 0.469 1.00 1.00 S ATOM 0 H CYS A 38 12.827 -6.620 0.850 1.00 1.00 H new ATOM 0 HA CYS A 38 12.429 -3.783 0.801 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.523 -2.841 0.964 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.545 -4.008 2.271 1.00 1.00 H new ATOM 503 N GLN A 39 12.700 -5.900 -1.075 1.00 1.00 N ATOM 504 CA GLN A 39 12.647 -6.489 -2.358 1.00 1.00 C ATOM 505 C GLN A 39 11.478 -7.462 -2.391 1.00 1.00 C ATOM 506 O GLN A 39 11.096 -7.924 -1.434 1.00 1.00 O ATOM 507 CB GLN A 39 14.058 -7.181 -2.588 1.00 1.00 C ATOM 508 CG GLN A 39 14.043 -8.684 -2.448 1.00 1.00 C ATOM 509 CD GLN A 39 13.279 -9.328 -3.612 1.00 1.00 C ATOM 510 OE1 GLN A 39 12.712 -10.410 -3.457 1.00 1.00 O ATOM 511 NE2 GLN A 39 13.231 -8.724 -4.773 1.00 1.00 N ATOM 0 H GLN A 39 12.187 -6.439 -0.377 1.00 1.00 H new ATOM 0 HA GLN A 39 12.476 -5.774 -3.163 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.417 -6.924 -3.585 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.772 -6.769 -1.875 1.00 1.00 H new ATOM 0 HG2 GLN A 39 15.065 -9.062 -2.423 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.577 -8.962 -1.502 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.701 -7.828 -4.901 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.724 -9.150 -5.549 1.00 1.00 H new ATOM 520 N GLY A 40 10.879 -7.679 -3.528 1.00 1.00 N ATOM 521 CA GLY A 40 9.697 -8.624 -3.583 1.00 1.00 C ATOM 522 C GLY A 40 8.339 -8.004 -3.973 1.00 1.00 C ATOM 523 O GLY A 40 8.162 -7.519 -5.089 1.00 1.00 O ATOM 0 H GLY A 40 11.142 -7.256 -4.418 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.927 -9.417 -4.294 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.590 -9.094 -2.605 1.00 1.00 H new ATOM 527 N THR A 41 7.326 -8.112 -3.017 1.00 1.00 N ATOM 528 CA THR A 41 5.912 -7.623 -3.304 1.00 1.00 C ATOM 529 C THR A 41 5.095 -7.098 -2.000 1.00 1.00 C ATOM 530 O THR A 41 5.195 -7.670 -0.955 1.00 1.00 O ATOM 531 CB THR A 41 5.145 -8.856 -3.930 1.00 1.00 C ATOM 532 OG1 THR A 41 4.476 -8.453 -5.116 1.00 1.00 O ATOM 533 CG2 THR A 41 4.128 -9.445 -2.950 1.00 1.00 C ATOM 0 H THR A 41 7.456 -8.513 -2.088 1.00 1.00 H new ATOM 0 HA THR A 41 5.978 -6.759 -3.965 1.00 1.00 H new ATOM 0 HB THR A 41 5.883 -9.625 -4.158 1.00 1.00 H new ATOM 0 HG1 THR A 41 4.003 -9.220 -5.502 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.621 -10.290 -3.416 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.643 -9.782 -2.050 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.395 -8.683 -2.685 1.00 1.00 H new ATOM 541 N SER A 42 4.276 -6.069 -2.170 1.00 1.00 N ATOM 542 CA SER A 42 3.422 -5.553 -1.039 1.00 1.00 C ATOM 543 C SER A 42 2.090 -6.045 -1.231 1.00 1.00 C ATOM 544 O SER A 42 1.232 -5.315 -1.730 1.00 1.00 O ATOM 545 CB SER A 42 3.389 -3.926 -0.979 1.00 1.00 C ATOM 546 OG SER A 42 3.973 -3.394 -2.153 1.00 1.00 O ATOM 0 H SER A 42 4.165 -5.565 -3.050 1.00 1.00 H new ATOM 0 HA SER A 42 3.848 -5.901 -0.098 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.361 -3.577 -0.882 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.930 -3.574 -0.100 1.00 1.00 H new ATOM 0 HG SER A 42 3.950 -2.415 -2.115 1.00 1.00 H new ATOM 552 N ARG A 43 1.825 -7.301 -0.874 1.00 1.00 N ATOM 553 CA ARG A 43 0.493 -7.888 -1.048 1.00 1.00 C ATOM 554 C ARG A 43 -0.264 -7.335 -2.135 1.00 1.00 C ATOM 555 O ARG A 43 -1.235 -6.646 -1.924 1.00 1.00 O ATOM 556 CB ARG A 43 -0.310 -7.867 0.256 1.00 1.00 C ATOM 557 CG ARG A 43 -0.374 -6.377 0.942 1.00 1.00 C ATOM 558 CD ARG A 43 -1.769 -5.671 0.552 1.00 1.00 C ATOM 559 NE ARG A 43 -2.180 -4.809 1.655 1.00 1.00 N ATOM 560 CZ ARG A 43 -1.357 -3.849 2.135 1.00 1.00 C ATOM 561 NH1 ARG A 43 -0.216 -3.608 1.550 1.00 1.00 N ATOM 562 NH2 ARG A 43 -1.715 -3.140 3.170 1.00 1.00 N ATOM 0 H ARG A 43 2.513 -7.932 -0.463 1.00 1.00 H new ATOM 0 HA ARG A 43 0.679 -8.926 -1.324 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.324 -8.214 0.058 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.135 -8.568 0.962 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.285 -6.459 2.025 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.463 -5.769 0.598 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.655 -5.088 -0.362 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.532 -6.424 0.356 1.00 1.00 H new ATOM 0 HE ARG A 43 -3.103 -4.932 2.071 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.059 -4.145 0.727 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.401 -2.883 1.916 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.616 -3.310 3.617 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -1.094 -2.416 3.532 1.00 1.00 H new ATOM 576 N LYS A 44 0.127 -7.719 -3.387 1.00 1.00 N ATOM 577 CA LYS A 44 -0.617 -7.309 -4.547 1.00 1.00 C ATOM 578 C LYS A 44 -1.969 -7.426 -4.244 1.00 1.00 C ATOM 579 O LYS A 44 -2.438 -8.505 -4.201 1.00 1.00 O ATOM 580 CB LYS A 44 -0.305 -8.207 -5.736 1.00 1.00 C ATOM 581 CG LYS A 44 -1.168 -7.743 -6.937 1.00 1.00 C ATOM 582 CD LYS A 44 -0.666 -8.410 -8.228 1.00 1.00 C ATOM 583 CE LYS A 44 -1.582 -8.031 -9.392 1.00 1.00 C ATOM 584 NZ LYS A 44 -1.310 -8.932 -10.546 1.00 1.00 N ATOM 0 H LYS A 44 0.942 -8.301 -3.584 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.350 -6.285 -4.807 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.754 -8.151 -5.986 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.521 -9.247 -5.493 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.213 -8.001 -6.766 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.119 -6.658 -7.034 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.356 -8.094 -8.439 1.00 1.00 H new ATOM 0 HD3 LYS A 44 -0.646 -9.493 -8.106 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.626 -8.113 -9.090 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.414 -6.993 -9.679 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.932 -8.677 -11.340 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.317 -8.832 -10.838 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -1.491 -9.917 -10.267 1.00 1.00 H new ATOM 598 N PRO A 45 -2.716 -6.295 -3.982 1.00 1.00 N ATOM 599 CA PRO A 45 -4.127 -6.393 -3.699 1.00 1.00 C ATOM 600 C PRO A 45 -4.692 -7.042 -4.851 1.00 1.00 C ATOM 601 O PRO A 45 -5.375 -6.450 -5.691 1.00 1.00 O ATOM 602 CB PRO A 45 -4.569 -4.969 -3.513 1.00 1.00 C ATOM 603 CG PRO A 45 -3.328 -4.294 -3.111 1.00 1.00 C ATOM 604 CD PRO A 45 -2.273 -4.925 -3.920 1.00 1.00 C ATOM 0 HA PRO A 45 -4.421 -6.963 -2.817 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -4.979 -4.549 -4.432 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.343 -4.882 -2.750 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -3.383 -3.222 -3.300 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.137 -4.420 -2.045 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.196 -4.477 -4.911 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.292 -4.835 -3.452 1.00 1.00 H new ATOM 612 N ASP A 46 -4.282 -8.287 -4.961 1.00 1.00 N ATOM 613 CA ASP A 46 -4.607 -9.074 -6.087 1.00 1.00 C ATOM 614 C ASP A 46 -6.048 -9.680 -5.967 1.00 1.00 C ATOM 615 O ASP A 46 -6.661 -9.608 -4.908 1.00 1.00 O ATOM 616 CB ASP A 46 -3.494 -10.271 -6.352 1.00 1.00 C ATOM 617 CG ASP A 46 -4.107 -11.672 -6.129 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.801 -11.845 -5.137 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.869 -12.539 -6.956 1.00 1.00 O ATOM 0 H ASP A 46 -3.714 -8.765 -4.261 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.587 -8.408 -6.949 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -3.114 -10.197 -7.371 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -2.644 -10.134 -5.684 1.00 1.00 H new ATOM 624 N PRO A 47 -6.576 -10.302 -7.045 1.00 1.00 N ATOM 625 CA PRO A 47 -7.938 -10.943 -7.015 1.00 1.00 C ATOM 626 C PRO A 47 -7.981 -12.174 -6.058 1.00 1.00 C ATOM 627 O PRO A 47 -8.354 -13.276 -6.460 1.00 1.00 O ATOM 628 CB PRO A 47 -8.186 -11.371 -8.505 1.00 1.00 C ATOM 629 CG PRO A 47 -7.145 -10.635 -9.310 1.00 1.00 C ATOM 630 CD PRO A 47 -5.950 -10.440 -8.382 1.00 1.00 C ATOM 0 HA PRO A 47 -8.704 -10.266 -6.637 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -8.086 -12.450 -8.626 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -9.193 -11.106 -8.828 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.862 -11.205 -10.195 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.528 -9.676 -9.658 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -5.268 -11.289 -8.421 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.373 -9.555 -8.649 1.00 1.00 H new ATOM 638 N GLY A 48 -7.617 -11.952 -4.797 1.00 1.00 N ATOM 639 CA GLY A 48 -7.631 -13.017 -3.785 1.00 1.00 C ATOM 640 C GLY A 48 -8.134 -12.436 -2.526 1.00 1.00 C ATOM 641 O GLY A 48 -9.292 -12.645 -2.156 1.00 1.00 O ATOM 0 H GLY A 48 -7.308 -11.045 -4.447 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.268 -13.841 -4.107 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.630 -13.424 -3.645 1.00 1.00 H new ATOM 645 N PRO A 49 -7.330 -11.636 -1.871 1.00 1.00 N ATOM 646 CA PRO A 49 -7.761 -10.971 -0.697 1.00 1.00 C ATOM 647 C PRO A 49 -8.939 -10.081 -1.038 1.00 1.00 C ATOM 648 O PRO A 49 -10.088 -10.473 -0.818 1.00 1.00 O ATOM 649 CB PRO A 49 -6.523 -10.150 -0.194 1.00 1.00 C ATOM 650 CG PRO A 49 -5.505 -10.186 -1.298 1.00 1.00 C ATOM 651 CD PRO A 49 -5.925 -11.321 -2.232 1.00 1.00 C ATOM 0 HA PRO A 49 -8.098 -11.654 0.083 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.807 -9.123 0.037 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.118 -10.582 0.721 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.475 -9.235 -1.830 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.505 -10.360 -0.900 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.847 -11.018 -3.276 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.283 -12.192 -2.104 1.00 1.00 H new ATOM 659 N LYS A 50 -8.638 -8.855 -1.538 1.00 1.00 N ATOM 660 CA LYS A 50 -9.654 -7.806 -1.897 1.00 1.00 C ATOM 661 C LYS A 50 -10.230 -7.140 -0.647 1.00 1.00 C ATOM 662 O LYS A 50 -11.403 -6.761 -0.628 1.00 1.00 O ATOM 663 CB LYS A 50 -10.855 -8.489 -2.756 1.00 1.00 C ATOM 664 CG LYS A 50 -10.681 -8.184 -4.362 1.00 1.00 C ATOM 665 CD LYS A 50 -11.407 -6.802 -4.754 1.00 1.00 C ATOM 666 CE LYS A 50 -10.836 -5.618 -3.903 1.00 1.00 C ATOM 667 NZ LYS A 50 -9.380 -5.470 -4.175 1.00 1.00 N ATOM 0 H LYS A 50 -7.678 -8.555 -1.708 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.159 -7.038 -2.492 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.861 -9.566 -2.586 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.816 -8.106 -2.412 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.622 -8.130 -4.616 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -11.107 -9.003 -4.942 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -11.262 -6.597 -5.815 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -12.481 -6.890 -4.590 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -11.359 -4.694 -4.149 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.002 -5.805 -2.842 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.888 -5.210 -3.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -9.000 -6.370 -4.531 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.234 -4.727 -4.887 1.00 1.00 H new ATOM 681 N GLY A 51 -9.435 -7.051 0.445 1.00 1.00 N ATOM 682 CA GLY A 51 -9.865 -6.568 1.571 1.00 1.00 C ATOM 683 C GLY A 51 -8.997 -7.106 2.550 1.00 1.00 C ATOM 684 O GLY A 51 -8.295 -6.443 3.069 1.00 1.00 O ATOM 0 H GLY A 51 -8.460 -7.351 0.463 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.835 -5.478 1.571 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.899 -6.858 1.757 1.00 1.00 H new ATOM 688 N PRO A 52 -9.023 -8.407 2.768 1.00 1.00 N ATOM 689 CA PRO A 52 -8.088 -9.107 3.742 1.00 1.00 C ATOM 690 C PRO A 52 -6.616 -8.550 3.692 1.00 1.00 C ATOM 691 O PRO A 52 -5.701 -9.230 3.928 1.00 1.00 O ATOM 692 CB PRO A 52 -8.124 -10.541 3.272 1.00 1.00 C ATOM 693 CG PRO A 52 -9.503 -10.728 2.688 1.00 1.00 C ATOM 694 CD PRO A 52 -9.945 -9.343 2.149 1.00 1.00 C ATOM 0 HA PRO A 52 -8.400 -8.964 4.777 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.351 -10.731 2.527 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.948 -11.231 4.097 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.488 -11.469 1.888 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -10.199 -11.090 3.445 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.884 -9.301 1.062 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.978 -9.122 2.419 1.00 1.00 H new ATOM 702 N THR A 53 -6.508 -7.335 3.432 1.00 1.00 N ATOM 703 CA THR A 53 -5.274 -6.615 3.395 1.00 1.00 C ATOM 704 C THR A 53 -5.720 -5.194 3.607 1.00 1.00 C ATOM 705 O THR A 53 -6.874 -4.945 3.480 1.00 1.00 O ATOM 706 CB THR A 53 -4.499 -6.782 2.121 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.369 -5.619 1.562 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.193 -7.704 1.183 1.00 1.00 C ATOM 0 H THR A 53 -7.316 -6.749 3.221 1.00 1.00 H new ATOM 0 HA THR A 53 -4.568 -6.976 4.143 1.00 1.00 H new ATOM 0 HB THR A 53 -3.525 -7.210 2.356 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.512 -5.703 0.596 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.606 -7.804 0.270 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.305 -8.682 1.651 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.177 -7.303 0.940 1.00 1.00 H new ATOM 716 N TYR A 54 -4.932 -4.320 3.937 1.00 1.00 N ATOM 717 CA TYR A 54 -5.491 -2.916 4.243 1.00 1.00 C ATOM 718 C TYR A 54 -4.515 -2.038 5.029 1.00 1.00 C ATOM 719 O TYR A 54 -3.968 -2.483 6.034 1.00 1.00 O ATOM 720 CB TYR A 54 -6.782 -3.117 5.178 1.00 1.00 C ATOM 721 CG TYR A 54 -6.856 -2.083 6.370 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.109 -2.301 7.539 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.673 -0.944 6.273 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.180 -1.387 8.596 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.738 -0.035 7.332 1.00 1.00 C ATOM 726 CZ TYR A 54 -6.994 -0.256 8.491 1.00 1.00 C ATOM 727 OH TYR A 54 -7.063 0.640 9.532 1.00 1.00 O ATOM 0 H TYR A 54 -3.923 -4.432 4.031 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.700 -2.426 3.292 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.681 -3.024 4.569 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.775 -4.129 5.583 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.479 -3.175 7.622 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.252 -0.771 5.378 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.605 -1.556 9.494 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.365 0.840 7.253 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.673 1.370 9.296 1.00 1.00 H new ATOM 737 N CYS A 55 -4.306 -0.652 4.570 1.00 1.00 N ATOM 738 CA CYS A 55 -3.375 0.261 5.394 1.00 1.00 C ATOM 739 C CYS A 55 -3.861 1.716 5.737 1.00 1.00 C ATOM 740 O CYS A 55 -3.603 2.259 6.815 1.00 1.00 O ATOM 741 CB CYS A 55 -2.033 0.365 4.724 1.00 1.00 C ATOM 742 SG CYS A 55 -0.751 0.399 6.073 1.00 1.00 S ATOM 0 H CYS A 55 -4.727 -0.230 3.742 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.349 -0.249 6.357 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -1.868 -0.481 4.057 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -1.975 1.267 4.115 1.00 1.00 H new ATOM 747 N TRP A 56 -4.522 2.293 4.745 1.00 1.00 N ATOM 748 CA TRP A 56 -5.028 3.579 4.755 1.00 1.00 C ATOM 749 C TRP A 56 -6.577 3.597 4.804 1.00 1.00 C ATOM 750 O TRP A 56 -7.175 2.931 5.651 1.00 1.00 O ATOM 751 CB TRP A 56 -4.595 4.216 3.420 1.00 1.00 C ATOM 752 CG TRP A 56 -4.849 5.696 3.453 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.248 6.354 2.419 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.730 6.704 4.577 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.375 7.635 2.724 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.078 7.907 4.065 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.348 6.663 5.979 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -5.082 9.087 4.842 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.353 7.839 6.747 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.723 9.041 6.173 1.00 1.00 C ATOM 0 H TRP A 56 -4.711 1.806 3.869 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.660 4.107 5.634 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.537 4.024 3.242 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.145 3.762 2.595 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.449 5.924 1.449 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.659 8.349 2.053 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.060 5.726 6.431 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.367 10.027 4.393 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -4.067 7.804 7.788 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.731 9.943 6.766 1.00 1.00 H new ATOM 771 N ASP A 57 -7.266 4.338 3.736 1.00 1.00 N ATOM 772 CA ASP A 57 -8.659 4.353 3.589 1.00 1.00 C ATOM 773 C ASP A 57 -9.140 5.629 2.823 1.00 1.00 C ATOM 774 O ASP A 57 -10.326 5.926 2.865 1.00 1.00 O ATOM 775 CB ASP A 57 -9.328 4.309 4.934 1.00 1.00 C ATOM 776 CG ASP A 57 -9.772 2.881 5.295 1.00 1.00 C ATOM 777 OD1 ASP A 57 -9.210 1.950 4.744 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.663 2.749 6.121 1.00 1.00 O ATOM 0 H ASP A 57 -6.774 4.889 3.033 1.00 1.00 H new ATOM 0 HA ASP A 57 -8.934 3.472 3.009 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.642 4.682 5.695 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.194 4.971 4.933 1.00 1.00 H new ATOM 783 N GLU A 58 -8.229 6.402 2.176 1.00 1.00 N ATOM 784 CA GLU A 58 -8.654 7.581 1.567 1.00 1.00 C ATOM 785 C GLU A 58 -7.555 8.309 1.025 1.00 1.00 C ATOM 786 O GLU A 58 -7.171 9.270 1.634 1.00 1.00 O ATOM 787 CB GLU A 58 -9.259 8.474 2.725 1.00 1.00 C ATOM 788 CG GLU A 58 -8.249 8.470 3.891 1.00 1.00 C ATOM 789 CD GLU A 58 -8.861 9.131 5.124 1.00 1.00 C ATOM 790 OE1 GLU A 58 -9.099 10.324 5.076 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.082 8.429 6.101 1.00 1.00 O ATOM 0 H GLU A 58 -7.234 6.195 2.091 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.357 7.349 0.767 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.434 9.491 2.373 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.221 8.079 3.050 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -7.958 7.446 4.126 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.343 9.000 3.598 1.00 1.00 H new ATOM 798 N ALA A 59 -6.957 8.015 -0.145 1.00 1.00 N ATOM 799 CA ALA A 59 -5.884 8.934 -0.598 1.00 1.00 C ATOM 800 C ALA A 59 -6.053 9.226 -2.162 1.00 1.00 C ATOM 801 O ALA A 59 -5.121 9.549 -2.790 1.00 1.00 O ATOM 802 CB ALA A 59 -4.669 8.242 -0.448 1.00 1.00 C ATOM 0 H ALA A 59 -7.168 7.223 -0.751 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.919 9.865 -0.032 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.845 8.879 -0.770 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.531 7.972 0.599 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.688 7.338 -1.057 1.00 1.00 H new ATOM 808 N LYS A 60 -7.268 8.817 -2.799 1.00 1.00 N ATOM 809 CA LYS A 60 -7.351 8.792 -4.172 1.00 1.00 C ATOM 810 C LYS A 60 -7.237 10.052 -4.780 1.00 1.00 C ATOM 811 O LYS A 60 -6.589 10.258 -5.752 1.00 1.00 O ATOM 812 CB LYS A 60 -8.768 8.158 -4.607 1.00 1.00 C ATOM 813 CG LYS A 60 -9.213 7.171 -3.506 1.00 1.00 C ATOM 814 CD LYS A 60 -10.333 6.198 -4.019 1.00 1.00 C ATOM 815 CE LYS A 60 -11.726 6.907 -3.918 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.224 6.803 -2.518 1.00 1.00 N ATOM 0 H LYS A 60 -8.115 8.530 -2.308 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.506 8.193 -4.510 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.512 8.944 -4.737 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.677 7.644 -5.564 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.354 6.591 -3.168 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.581 7.728 -2.644 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.134 5.909 -5.051 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.335 5.283 -3.426 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.637 7.954 -4.209 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.435 6.444 -4.605 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -13.149 7.272 -2.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -12.322 5.801 -2.258 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.549 7.264 -1.874 1.00 1.00 H new ATOM 830 N ASN A 61 -8.152 10.896 -4.250 1.00 1.00 N ATOM 831 CA ASN A 61 -8.397 12.175 -4.850 1.00 1.00 C ATOM 832 C ASN A 61 -7.181 12.821 -5.188 1.00 1.00 C ATOM 833 O ASN A 61 -6.159 12.533 -4.617 1.00 1.00 O ATOM 834 CB ASN A 61 -9.351 13.121 -4.020 1.00 1.00 C ATOM 835 CG ASN A 61 -10.618 13.493 -4.810 1.00 1.00 C ATOM 836 OD1 ASN A 61 -10.927 14.675 -4.973 1.00 1.00 O ATOM 837 ND2 ASN A 61 -11.366 12.543 -5.306 1.00 1.00 N ATOM 0 H ASN A 61 -8.712 10.696 -3.421 1.00 1.00 H new ATOM 0 HA ASN A 61 -8.948 11.964 -5.766 1.00 1.00 H new ATOM 0 HB2 ASN A 61 -9.634 12.626 -3.091 1.00 1.00 H new ATOM 0 HB3 ASN A 61 -8.814 14.029 -3.747 1.00 1.00 H new ATOM 0 HD21 ASN A 61 -12.209 12.779 -5.830 1.00 1.00 H new ATOM 0 HD22 ASN A 61 -11.107 11.566 -5.169 1.00 1.00 H new ATOM 844 N PRO A 62 -7.212 13.670 -6.176 1.00 1.00 N ATOM 845 CA PRO A 62 -6.059 14.325 -6.650 1.00 1.00 C ATOM 846 C PRO A 62 -5.732 15.600 -5.959 1.00 1.00 C ATOM 847 O PRO A 62 -4.821 16.293 -6.411 1.00 1.00 O ATOM 848 CB PRO A 62 -6.414 14.592 -8.171 1.00 1.00 C ATOM 849 CG PRO A 62 -7.791 14.056 -8.328 1.00 1.00 C ATOM 850 CD PRO A 62 -8.354 14.101 -6.966 1.00 1.00 C ATOM 0 HA PRO A 62 -5.170 13.719 -6.479 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -6.372 15.655 -8.408 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -5.713 14.089 -8.837 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -8.377 14.660 -9.021 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -7.780 13.039 -8.721 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -8.690 15.101 -6.692 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -9.209 13.435 -6.852 1.00 1.00 H new ATOM 858 N GLY A 63 -6.423 16.003 -4.854 1.00 1.00 N ATOM 859 CA GLY A 63 -6.085 17.255 -4.215 1.00 1.00 C ATOM 860 C GLY A 63 -6.944 17.368 -2.919 1.00 1.00 C ATOM 861 O GLY A 63 -7.673 18.342 -2.727 1.00 1.00 O ATOM 0 H GLY A 63 -7.186 15.483 -4.420 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -5.022 17.288 -3.974 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -6.287 18.093 -4.883 1.00 1.00 H new ATOM 865 N GLY A 64 -6.846 16.312 -2.034 1.00 1.00 N ATOM 866 CA GLY A 64 -7.623 16.289 -0.786 1.00 1.00 C ATOM 867 C GLY A 64 -7.217 15.120 0.173 1.00 1.00 C ATOM 868 O GLY A 64 -6.532 15.365 1.167 1.00 1.00 O ATOM 0 H GLY A 64 -6.248 15.498 -2.177 1.00 1.00 H new ATOM 0 HA2 GLY A 64 -7.492 17.238 -0.267 1.00 1.00 H new ATOM 0 HA3 GLY A 64 -8.682 16.201 -1.027 1.00 1.00 H new ATOM 872 N PRO A 65 -7.624 13.843 -0.090 1.00 1.00 N ATOM 873 CA PRO A 65 -7.273 12.744 0.774 1.00 1.00 C ATOM 874 C PRO A 65 -5.811 12.590 0.835 1.00 1.00 C ATOM 875 O PRO A 65 -5.100 13.424 0.371 1.00 1.00 O ATOM 876 CB PRO A 65 -8.008 11.498 0.145 1.00 1.00 C ATOM 877 CG PRO A 65 -9.049 12.118 -0.616 1.00 1.00 C ATOM 878 CD PRO A 65 -8.387 13.388 -1.168 1.00 1.00 C ATOM 0 HA PRO A 65 -7.581 12.887 1.810 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.342 10.905 -0.482 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.404 10.830 0.909 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.400 11.469 -1.418 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.913 12.354 0.005 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.767 13.173 -2.038 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -9.127 14.126 -1.478 1.00 1.00 H new ATOM 886 N ASN A 66 -5.369 11.619 1.507 1.00 1.00 N ATOM 887 CA ASN A 66 -3.847 11.475 1.715 1.00 1.00 C ATOM 888 C ASN A 66 -3.116 11.746 0.431 1.00 1.00 C ATOM 889 O ASN A 66 -1.924 12.034 0.418 1.00 1.00 O ATOM 890 CB ASN A 66 -3.445 10.062 2.246 1.00 1.00 C ATOM 891 CG ASN A 66 -2.596 10.160 3.557 1.00 1.00 C ATOM 892 OD1 ASN A 66 -2.534 9.204 4.329 1.00 1.00 O ATOM 893 ND2 ASN A 66 -1.934 11.261 3.828 1.00 1.00 N ATOM 0 H ASN A 66 -5.942 10.895 1.941 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.565 12.208 2.470 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.343 9.475 2.437 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.875 9.534 1.481 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -1.371 11.322 4.676 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.983 12.056 3.190 1.00 1.00 H new ATOM 900 N ARG A 67 -3.885 11.626 -0.626 1.00 1.00 N ATOM 901 CA ARG A 67 -3.461 11.834 -1.997 1.00 1.00 C ATOM 902 C ARG A 67 -2.633 10.694 -2.522 1.00 1.00 C ATOM 903 O ARG A 67 -1.570 10.406 -2.033 1.00 1.00 O ATOM 904 CB ARG A 67 -2.683 13.174 -2.145 1.00 1.00 C ATOM 905 CG ARG A 67 -3.652 14.319 -2.215 1.00 1.00 C ATOM 906 CD ARG A 67 -4.048 14.545 -3.642 1.00 1.00 C ATOM 907 NE ARG A 67 -2.949 15.181 -4.430 1.00 1.00 N ATOM 908 CZ ARG A 67 -2.451 16.406 -4.146 1.00 1.00 C ATOM 909 NH1 ARG A 67 -2.912 17.105 -3.149 1.00 1.00 N ATOM 910 NH2 ARG A 67 -1.496 16.897 -4.891 1.00 1.00 N ATOM 0 H ARG A 67 -4.869 11.369 -0.553 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.369 11.883 -2.598 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -2.008 13.308 -1.300 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -2.068 13.151 -3.044 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.533 14.102 -1.611 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -3.198 15.221 -1.804 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -4.319 13.593 -4.099 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -4.934 15.179 -3.677 1.00 1.00 H new ATOM 0 HE ARG A 67 -2.556 14.667 -5.219 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.661 16.731 -2.567 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -2.524 18.027 -2.950 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -1.134 16.357 -5.677 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -1.113 17.820 -4.686 1.00 1.00 H new ATOM 924 N CYS A 68 -3.120 10.143 -3.587 1.00 1.00 N ATOM 925 CA CYS A 68 -2.478 9.121 -4.313 1.00 1.00 C ATOM 926 C CYS A 68 -3.080 9.159 -5.563 1.00 1.00 C ATOM 927 O CYS A 68 -2.660 9.938 -6.419 1.00 1.00 O ATOM 928 CB CYS A 68 -2.524 7.685 -3.558 1.00 1.00 C ATOM 929 SG CYS A 68 -4.153 6.910 -3.388 1.00 1.00 S ATOM 0 H CYS A 68 -4.020 10.414 -3.984 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.403 9.275 -4.407 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -1.873 6.996 -4.096 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -2.101 7.810 -2.561 1.00 1.00 H new ATOM 934 N SER A 69 -4.023 8.398 -5.734 1.00 1.00 N ATOM 935 CA SER A 69 -4.761 8.342 -6.935 1.00 1.00 C ATOM 936 C SER A 69 -4.190 7.379 -7.901 1.00 1.00 C ATOM 937 O SER A 69 -4.905 6.851 -8.754 1.00 1.00 O ATOM 938 CB SER A 69 -4.865 9.759 -7.660 1.00 1.00 C ATOM 939 OG SER A 69 -3.837 9.859 -8.650 1.00 1.00 O ATOM 0 H SER A 69 -4.349 7.745 -5.022 1.00 1.00 H new ATOM 0 HA SER A 69 -5.756 8.016 -6.633 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.845 9.872 -8.124 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.763 10.562 -6.930 1.00 1.00 H new ATOM 0 HG SER A 69 -2.960 9.775 -8.221 1.00 1.00 H new ATOM 945 N ASN A 70 -2.854 7.234 -7.882 1.00 1.00 N ATOM 946 CA ASN A 70 -2.173 6.419 -8.905 1.00 1.00 C ATOM 947 C ASN A 70 -1.590 5.256 -8.388 1.00 1.00 C ATOM 948 O ASN A 70 -1.618 4.215 -9.035 1.00 1.00 O ATOM 949 CB ASN A 70 -1.070 7.265 -9.552 1.00 1.00 C ATOM 950 CG ASN A 70 -1.646 8.586 -10.050 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.479 9.622 -9.404 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.318 8.612 -11.165 1.00 1.00 N ATOM 0 H ASN A 70 -2.237 7.658 -7.189 1.00 1.00 H new ATOM 0 HA ASN A 70 -2.931 6.111 -9.626 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.276 7.455 -8.830 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.622 6.719 -10.382 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.707 9.491 -11.505 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.455 7.753 -11.698 1.00 1.00 H new ATOM 959 N SER A 71 -1.061 5.366 -7.195 1.00 1.00 N ATOM 960 CA SER A 71 -0.415 4.182 -6.513 1.00 1.00 C ATOM 961 C SER A 71 0.671 4.570 -5.332 1.00 1.00 C ATOM 962 O SER A 71 1.741 3.973 -5.282 1.00 1.00 O ATOM 963 CB SER A 71 0.298 3.312 -7.607 1.00 1.00 C ATOM 964 OG SER A 71 1.438 2.644 -7.077 1.00 1.00 O ATOM 0 H SER A 71 -1.045 6.230 -6.653 1.00 1.00 H new ATOM 0 HA SER A 71 -1.215 3.640 -6.008 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.403 2.578 -8.005 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.601 3.947 -8.439 1.00 1.00 H new ATOM 0 HG SER A 71 2.072 3.305 -6.728 1.00 1.00 H new ATOM 970 N LYS A 72 0.449 5.656 -4.517 1.00 1.00 N ATOM 971 CA LYS A 72 1.554 6.100 -3.559 1.00 1.00 C ATOM 972 C LYS A 72 1.159 6.562 -2.276 1.00 1.00 C ATOM 973 O LYS A 72 1.778 7.451 -1.712 1.00 1.00 O ATOM 974 CB LYS A 72 2.234 7.403 -4.279 1.00 1.00 C ATOM 975 CG LYS A 72 1.215 8.571 -4.456 1.00 1.00 C ATOM 976 CD LYS A 72 1.898 9.936 -4.074 1.00 1.00 C ATOM 977 CE LYS A 72 1.019 11.124 -4.520 1.00 1.00 C ATOM 978 NZ LYS A 72 1.745 12.404 -4.245 1.00 1.00 N ATOM 0 H LYS A 72 -0.408 6.209 -4.491 1.00 1.00 H new ATOM 0 HA LYS A 72 2.174 5.220 -3.386 1.00 1.00 H new ATOM 0 HB2 LYS A 72 3.079 7.747 -3.683 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.628 7.114 -5.254 1.00 1.00 H new ATOM 0 HG2 LYS A 72 0.863 8.606 -5.487 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.341 8.402 -3.827 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.059 9.980 -2.997 1.00 1.00 H new ATOM 0 HD3 LYS A 72 2.878 10.004 -4.546 1.00 1.00 H new ATOM 0 HE2 LYS A 72 0.789 11.043 -5.582 1.00 1.00 H new ATOM 0 HE3 LYS A 72 0.069 11.109 -3.986 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 1.157 13.208 -4.544 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 1.943 12.479 -3.227 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 2.641 12.415 -4.773 1.00 1.00 H new ATOM 992 N GLN A 73 0.188 6.127 -1.885 1.00 1.00 N ATOM 993 CA GLN A 73 -0.431 6.597 -0.643 1.00 1.00 C ATOM 994 C GLN A 73 -1.859 6.101 -0.620 1.00 1.00 C ATOM 995 O GLN A 73 -2.676 6.800 -0.251 1.00 1.00 O ATOM 996 CB GLN A 73 -0.512 8.297 -0.681 1.00 1.00 C ATOM 997 CG GLN A 73 0.334 8.954 0.382 1.00 1.00 C ATOM 998 CD GLN A 73 -0.209 8.618 1.771 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.155 7.841 1.898 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.335 9.166 2.823 1.00 1.00 N ATOM 0 H GLN A 73 -0.330 5.384 -2.355 1.00 1.00 H new ATOM 0 HA GLN A 73 0.141 6.246 0.216 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -0.190 8.648 -1.661 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.549 8.608 -0.555 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.367 8.616 0.296 1.00 1.00 H new ATOM 0 HG3 GLN A 73 0.339 10.034 0.237 1.00 1.00 H new ATOM 0 HE21 GLN A 73 1.119 9.810 2.715 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.024 8.951 3.753 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.132 4.854 -0.955 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.624 4.354 -0.871 1.00 1.00 C ATOM 1011 C CYS A 74 -3.678 3.375 0.249 1.00 1.00 C ATOM 1012 O CYS A 74 -2.944 3.601 1.187 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.045 3.823 -2.291 1.00 1.00 C ATOM 1014 SG CYS A 74 -3.608 5.008 -3.701 1.00 1.00 S ATOM 0 H CYS A 74 -1.450 4.164 -1.272 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.357 5.127 -0.639 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.560 2.864 -2.470 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.120 3.643 -2.299 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.609 2.259 0.290 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.621 1.387 1.635 1.00 1.00 C ATOM 1021 C ASP A 75 -3.931 0.042 1.552 1.00 1.00 C ATOM 1022 O ASP A 75 -2.715 -0.030 1.713 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.132 1.394 2.170 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.301 0.554 3.305 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.186 -0.523 3.144 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.563 1.054 4.370 1.00 1.00 O ATOM 0 H ASP A 75 -5.253 1.976 -0.449 1.00 1.00 H new ATOM 0 HA ASP A 75 -3.977 1.844 2.387 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.420 2.413 2.428 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.800 1.065 1.374 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.654 -1.008 1.365 1.00 1.00 N ATOM 1032 CA GLY A 76 -4.000 -2.357 1.342 1.00 1.00 C ATOM 1033 C GLY A 76 -4.673 -3.420 0.483 1.00 1.00 C ATOM 1034 O GLY A 76 -4.005 -4.302 0.007 1.00 1.00 O ATOM 0 H GLY A 76 -5.665 -1.008 1.226 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -2.975 -2.234 0.993 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.946 -2.728 2.365 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.940 -3.314 0.241 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.638 -4.293 -0.601 1.00 1.00 C ATOM 1040 C ALA A 77 -7.286 -3.598 -1.763 1.00 1.00 C ATOM 1041 O ALA A 77 -8.409 -3.929 -2.150 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.735 -4.928 0.204 1.00 1.00 C ATOM 0 H ALA A 77 -6.532 -2.567 0.604 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.919 -5.033 -0.952 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -8.262 -5.658 -0.411 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.306 -5.427 1.073 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.434 -4.160 0.535 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.642 -2.560 -2.232 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.175 -1.715 -3.230 1.00 1.00 C ATOM 1050 C ARG A 78 -6.376 -1.772 -4.439 1.00 1.00 C ATOM 1051 O ARG A 78 -5.308 -2.335 -4.425 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.183 -0.379 -2.683 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.108 -0.356 -1.437 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.378 1.038 -1.082 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.250 1.666 -2.085 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.580 1.632 -1.975 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.141 0.995 -0.981 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.319 2.229 -2.864 1.00 1.00 N ATOM 0 H ARG A 78 -5.713 -2.286 -1.913 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.182 -2.029 -3.505 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.172 -0.077 -2.409 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.537 0.333 -3.429 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.040 -0.880 -1.648 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.633 -0.874 -0.604 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.851 1.084 -0.101 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.440 1.589 -1.011 1.00 1.00 H new ATOM 0 HE ARG A 78 -8.829 2.139 -2.884 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.562 0.522 -0.287 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.157 0.971 -0.900 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -10.882 2.722 -3.643 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.335 2.204 -2.782 1.00 1.00 H new ATOM 1072 N THR A 79 -6.864 -1.163 -5.574 1.00 1.00 N ATOM 1073 CA THR A 79 -6.120 -1.212 -6.726 1.00 1.00 C ATOM 1074 C THR A 79 -6.254 -0.031 -7.502 1.00 1.00 C ATOM 1075 O THR A 79 -6.839 -0.059 -8.507 1.00 1.00 O ATOM 1076 CB THR A 79 -6.420 -2.442 -7.506 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.555 -3.548 -6.618 1.00 1.00 O ATOM 1078 CG2 THR A 79 -5.254 -2.677 -8.445 1.00 1.00 C ATOM 0 H THR A 79 -7.751 -0.665 -5.641 1.00 1.00 H new ATOM 0 HA THR A 79 -5.071 -1.263 -6.436 1.00 1.00 H new ATOM 0 HB THR A 79 -7.349 -2.332 -8.066 1.00 1.00 H new ATOM 0 HG1 THR A 79 -6.754 -4.358 -7.132 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.438 -3.574 -9.036 1.00 1.00 H new ATOM 0 HG22 THR A 79 -5.144 -1.820 -9.110 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.340 -2.806 -7.865 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.543 1.056 -6.998 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.412 2.333 -7.653 1.00 1.00 C ATOM 1088 C CYS A 80 -5.998 2.484 -8.933 1.00 1.00 C ATOM 1089 O CYS A 80 -5.431 3.120 -9.828 1.00 1.00 O ATOM 1090 CB CYS A 80 -3.907 2.725 -7.683 1.00 1.00 C ATOM 1091 SG CYS A 80 -3.655 4.321 -6.527 1.00 1.00 S ATOM 0 H CYS A 80 -5.053 1.018 -6.104 1.00 1.00 H new ATOM 0 HA CYS A 80 -6.010 3.014 -7.047 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.292 1.898 -7.328 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -3.591 2.942 -8.704 1.00 1.00 H new ATOM 1096 N SER A 81 -7.064 1.929 -9.080 1.00 1.00 N ATOM 1097 CA SER A 81 -7.794 1.942 -10.251 1.00 1.00 C ATOM 1098 C SER A 81 -7.411 0.834 -11.027 1.00 1.00 C ATOM 1099 O SER A 81 -8.171 0.334 -11.849 1.00 1.00 O ATOM 1100 CB SER A 81 -7.770 3.293 -10.939 1.00 1.00 C ATOM 1101 OG SER A 81 -6.990 3.231 -12.125 1.00 1.00 O ATOM 0 H SER A 81 -7.514 1.398 -8.334 1.00 1.00 H new ATOM 0 HA SER A 81 -8.858 1.820 -10.046 1.00 1.00 H new ATOM 0 HB2 SER A 81 -8.787 3.603 -11.181 1.00 1.00 H new ATOM 0 HB3 SER A 81 -7.359 4.044 -10.265 1.00 1.00 H new ATOM 0 HG SER A 81 -6.041 3.162 -11.889 1.00 1.00 H new ATOM 1107 N SER A 82 -6.289 0.314 -10.633 1.00 1.00 N ATOM 1108 CA SER A 82 -5.785 -0.969 -11.146 1.00 1.00 C ATOM 1109 C SER A 82 -4.263 -1.301 -10.923 1.00 1.00 C ATOM 1110 O SER A 82 -3.790 -2.295 -11.479 1.00 1.00 O ATOM 1111 CB SER A 82 -6.162 -1.173 -12.510 1.00 1.00 C ATOM 1112 OG SER A 82 -5.304 -2.113 -13.156 1.00 1.00 O ATOM 0 H SER A 82 -5.678 0.753 -9.944 1.00 1.00 H new ATOM 0 HA SER A 82 -6.287 -1.690 -10.501 1.00 1.00 H new ATOM 0 HB2 SER A 82 -7.191 -1.528 -12.555 1.00 1.00 H new ATOM 0 HB3 SER A 82 -6.129 -0.223 -13.043 1.00 1.00 H new ATOM 0 HG SER A 82 -4.957 -2.747 -12.495 1.00 1.00 H new ATOM 1118 N SER A 83 -3.461 -0.503 -10.064 1.00 1.00 N ATOM 1119 CA SER A 83 -2.057 -0.874 -9.856 1.00 1.00 C ATOM 1120 C SER A 83 -1.801 -1.315 -8.442 1.00 1.00 C ATOM 1121 O SER A 83 -0.670 -1.685 -8.122 1.00 1.00 O ATOM 1122 CB SER A 83 -1.102 0.250 -10.282 1.00 1.00 C ATOM 1123 OG SER A 83 -0.994 0.262 -11.706 1.00 1.00 O ATOM 0 H SER A 83 -3.778 0.327 -9.564 1.00 1.00 H new ATOM 0 HA SER A 83 -1.853 -1.729 -10.501 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.471 1.212 -9.926 1.00 1.00 H new ATOM 0 HB3 SER A 83 -0.121 0.099 -9.832 1.00 1.00 H new ATOM 0 HG SER A 83 -0.386 0.980 -11.982 1.00 1.00 H new ATOM 1129 N GLY A 84 -2.851 -1.378 -7.563 1.00 1.00 N ATOM 1130 CA GLY A 84 -2.645 -1.895 -6.210 1.00 1.00 C ATOM 1131 C GLY A 84 -2.598 -0.913 -5.239 1.00 1.00 C ATOM 1132 O GLY A 84 -1.900 -1.107 -4.236 1.00 1.00 O ATOM 0 H GLY A 84 -3.805 -1.085 -7.775 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -3.449 -2.591 -5.971 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -1.714 -2.462 -6.185 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.394 0.234 -5.361 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.392 1.103 -4.386 1.00 1.00 C ATOM 1138 C PHE A 85 -4.787 1.649 -4.329 1.00 1.00 C ATOM 1139 O PHE A 85 -5.447 1.260 -3.556 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.261 2.059 -4.587 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.030 1.772 -3.604 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -1.201 1.433 -2.210 1.00 1.00 C ATOM 1143 CD2 PHE A 85 0.236 1.864 -4.117 1.00 1.00 C ATOM 1144 CE1 PHE A 85 -0.082 1.206 -1.409 1.00 1.00 C ATOM 1145 CE2 PHE A 85 1.360 1.635 -3.299 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.195 1.307 -1.950 1.00 1.00 C ATOM 0 H PHE A 85 -3.989 0.460 -6.158 1.00 1.00 H new ATOM 0 HA PHE A 85 -3.185 0.704 -3.393 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -1.918 1.998 -5.620 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.618 3.077 -4.429 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -2.193 1.356 -1.789 1.00 1.00 H new ATOM 0 HD2 PHE A 85 0.374 2.114 -5.158 1.00 1.00 H new ATOM 0 HE1 PHE A 85 -0.208 0.951 -0.367 1.00 1.00 H new ATOM 0 HE2 PHE A 85 2.353 1.713 -3.716 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.060 1.132 -1.328 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.200 2.626 -5.101 1.00 1.00 N ATOM 1157 CA CYS A 86 -6.705 3.194 -4.886 1.00 1.00 C ATOM 1158 C CYS A 86 -7.820 2.941 -5.915 1.00 1.00 C ATOM 1159 O CYS A 86 -7.836 3.426 -7.042 1.00 1.00 O ATOM 1160 CB CYS A 86 -6.641 4.593 -4.635 1.00 1.00 C ATOM 1161 SG CYS A 86 -5.609 5.382 -6.163 1.00 1.00 S ATOM 0 H CYS A 86 -4.655 3.072 -5.839 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.034 2.570 -4.055 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -7.640 5.025 -4.575 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.148 4.797 -3.685 1.00 1.00 H new ATOM 1166 N GLN A 87 -8.857 2.105 -5.369 1.00 1.00 N ATOM 1167 CA GLN A 87 -10.006 1.726 -6.090 1.00 1.00 C ATOM 1168 C GLN A 87 -10.736 0.485 -5.464 1.00 1.00 C ATOM 1169 O GLN A 87 -11.965 0.410 -5.480 1.00 1.00 O ATOM 1170 CB GLN A 87 -9.571 1.451 -7.503 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.404 0.336 -8.155 1.00 1.00 C ATOM 1172 CD GLN A 87 -9.927 -1.051 -7.681 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.938 -1.153 -6.975 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.583 -2.124 -8.056 1.00 1.00 N ATOM 0 H GLN A 87 -8.828 1.731 -4.421 1.00 1.00 H new ATOM 0 HA GLN A 87 -10.739 2.532 -6.057 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -9.660 2.363 -8.094 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.518 1.168 -7.510 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.457 0.469 -7.905 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.323 0.402 -9.240 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.410 -2.036 -8.647 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.266 -3.046 -7.757 1.00 1.00 H new ATOM 1183 N GLY A 88 -9.990 -0.454 -4.997 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.590 -1.688 -4.450 1.00 1.00 C ATOM 1185 C GLY A 88 -11.389 -1.469 -3.179 1.00 1.00 C ATOM 1186 O GLY A 88 -12.384 -0.746 -3.178 1.00 1.00 O ATOM 0 H GLY A 88 -8.971 -0.422 -4.969 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.240 -2.130 -5.205 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.797 -2.409 -4.250 1.00 1.00 H new ATOM 1190 N THR A 89 -11.005 -2.201 -2.113 1.00 1.00 N ATOM 1191 CA THR A 89 -11.758 -2.187 -0.852 1.00 1.00 C ATOM 1192 C THR A 89 -10.964 -1.856 0.412 1.00 1.00 C ATOM 1193 O THR A 89 -11.318 -0.935 1.139 1.00 1.00 O ATOM 1194 CB THR A 89 -12.395 -3.641 -0.729 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.697 -3.618 -1.300 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.500 -4.120 0.762 1.00 1.00 C ATOM 0 H THR A 89 -10.182 -2.804 -2.104 1.00 1.00 H new ATOM 0 HA THR A 89 -12.484 -1.376 -0.904 1.00 1.00 H new ATOM 0 HB THR A 89 -11.744 -4.339 -1.256 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.100 -4.509 -1.232 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.940 -5.117 0.794 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.505 -4.149 1.206 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.128 -3.428 1.323 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.048 -2.683 0.723 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.341 -2.610 1.966 1.00 1.00 C ATOM 1206 C ALA A 90 -10.169 -3.471 2.920 1.00 1.00 C ATOM 1207 O ALA A 90 -11.347 -3.243 3.153 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.143 -1.216 2.512 1.00 1.00 C ATOM 0 H ALA A 90 -9.751 -3.450 0.120 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.317 -2.960 1.833 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.598 -1.268 3.455 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.574 -0.622 1.796 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.114 -0.750 2.680 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.498 -4.398 3.455 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.104 -5.422 4.522 1.00 1.00 C ATOM 1216 C GLY A 91 -8.952 -6.240 5.578 1.00 1.00 C ATOM 1217 O GLY A 91 -9.364 -6.814 6.566 1.00 1.00 O ATOM 0 H GLY A 91 -8.514 -4.564 3.245 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.814 -4.881 5.147 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.669 -6.182 3.982 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.565 -6.143 5.300 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.398 -6.754 6.248 1.00 1.00 C ATOM 1223 C HIS A 92 -6.414 -8.270 6.511 1.00 1.00 C ATOM 1224 O HIS A 92 -7.429 -8.773 6.994 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.527 -6.076 7.707 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.521 -6.800 8.635 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.829 -6.361 8.815 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.380 -7.886 9.450 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.409 -7.181 9.706 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.569 -8.128 10.125 1.00 1.00 N ATOM 0 H HIS A 92 -7.203 -5.674 4.470 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.484 -6.541 5.694 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.545 -6.061 8.180 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.840 -5.039 7.590 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.267 -5.563 8.355 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.478 -8.470 9.554 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.431 -7.085 10.042 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.347 -9.021 6.237 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.407 -10.557 6.558 1.00 1.00 C ATOM 1241 C ALA A 93 -4.753 -10.828 7.931 1.00 1.00 C ATOM 1242 O ALA A 93 -3.622 -11.304 8.009 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.645 -11.452 5.466 1.00 1.00 C ATOM 0 H ALA A 93 -4.475 -8.685 5.829 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.462 -10.833 6.554 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.720 -12.504 5.741 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -5.101 -11.299 4.488 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.595 -11.162 5.426 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.480 -10.516 8.994 1.00 1.00 N ATOM 1250 CA ALA A 94 -4.971 -10.724 10.365 1.00 1.00 C ATOM 1251 C ALA A 94 -4.220 -12.056 10.468 1.00 1.00 C ATOM 1252 O ALA A 94 -4.849 -13.045 10.802 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.160 -10.716 11.385 1.00 1.00 C ATOM 0 H ALA A 94 -6.419 -10.120 8.947 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.283 -9.912 10.600 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -5.775 -10.870 12.393 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -6.675 -9.757 11.336 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -6.858 -11.516 11.137 1.00 1.00 H new TER 1259 ALA A 94