USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 633 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 99 ASN : amide:sc= -0.996 K(o=-1.3,f=-0.26) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.263 X(o=-1.3,f=-1.3!) USER MOD Set 2.1: A 48 ASN : amide:sc= -4.88 K(o=-11,f=-16!) USER MOD Set 2.2: A 96 GLN : amide:sc= -5.64 X(o=-11,f=-11!) USER MOD Set 3.1: A 93 GLN : amide:sc= -1.7 K(o=-0.55,f=-4!) USER MOD Set 3.2: A 94 GLN : amide:sc= 1.14 K(o=-0.55,f=-3.3) USER MOD Set 4.1: A 47 GLN : amide:sc= -3.77 X(o=-3.8,f=-3.7!) USER MOD Set 4.2: A 53 SER OG : rot -110:sc= -0.0348 USER MOD Set 5.1: A 35 ASN : amide:sc= -7.18! C(o=-7.4!,f=-17!) USER MOD Set 5.2: A 37 GLN : amide:sc= -0.17 X(o=-7.4,f=-7.8) USER MOD Set 6.1: A 16 ASN : amide:sc= -6.35! C(o=-14!,f=-13!) USER MOD Set 6.2: A 20 THR OG1 : rot -129:sc= -2.49! USER MOD Set 6.3: A 34 GLN : amide:sc= -5.38! K(o=-14!,f=-13) USER MOD Single : A 1 ALA N :NH3+ 168:sc= -0.0143 (180deg=-0.182) USER MOD Single : A 2 MET CE :methyl -169:sc= -0.55 (180deg=-1.31) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.76) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 13:sc= 0.0131 USER MOD Single : A 25 THR OG1 : rot -27:sc= 0.598 USER MOD Single : A 28 SER OG : rot -93:sc= 0.0557 USER MOD Single : A 30 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.4) USER MOD Single : A 43 TYR OH : rot 32:sc= 0.0493 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -67:sc= 0.957 USER MOD Single : A 49 GLN : amide:sc= -15.1! C(o=-15!,f=-25!) USER MOD Single : A 51 ASN : amide:sc= -0.45 K(o=-0.45,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot 97:sc= 0.0213 USER MOD Single : A 57 ASN : amide:sc= -0.324 X(o=-0.32,f=0.14) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.75! C(o=-2.8!,f=-2.2!) USER MOD Single : A 65 THR OG1 : rot 160:sc= -0.158 USER MOD Single : A 67 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.96) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 110:sc= 0.618 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0521 USER MOD Single : A 81 ASN : amide:sc= -0.286 X(o=-0.29,f=0) USER MOD Single : A 83 ASN : amide:sc= -1.93 K(o=-1.9,f=-0.52) USER MOD Single : A 88 LYS NZ :NH3+ -139:sc= -0.923 (180deg=-1.41) USER MOD Single : A 89 ASN : amide:sc= -10.4! C(o=-10!,f=-28!) USER MOD Single : A 90 SER OG : rot 15:sc= 0.418 USER MOD Single : A 92 LYS NZ :NH3+ -138:sc= -2.15! (180deg=-2.93!) USER MOD Single : A 97 ASN : amide:sc= -2.87 K(o=-2.9,f=-2.3!) USER MOD Single : A 98 ASN : amide:sc= -0.148 K(o=-0.15,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.476 4.341 -7.280 1.00 0.00 N ATOM 2 CA ALA A 1 5.664 4.916 -5.923 1.00 0.00 C ATOM 3 C ALA A 1 4.734 6.103 -5.698 1.00 0.00 C ATOM 4 O ALA A 1 5.086 7.059 -5.007 1.00 0.00 O ATOM 5 CB ALA A 1 7.113 5.338 -5.727 1.00 0.00 C ATOM 0 H1 ALA A 1 6.248 3.675 -7.485 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.566 3.839 -7.321 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.482 5.106 -7.985 1.00 0.00 H new ATOM 0 HA ALA A 1 5.416 4.147 -5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.238 5.758 -4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.763 4.470 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.377 6.089 -6.472 1.00 0.00 H new ATOM 13 N MET A 2 3.544 6.037 -6.286 1.00 0.00 N ATOM 14 CA MET A 2 2.561 7.108 -6.142 1.00 0.00 C ATOM 15 C MET A 2 1.206 6.698 -6.713 1.00 0.00 C ATOM 16 O MET A 2 1.010 6.674 -7.928 1.00 0.00 O ATOM 17 CB MET A 2 3.052 8.383 -6.822 1.00 0.00 C ATOM 18 CG MET A 2 3.695 8.148 -8.178 1.00 0.00 C ATOM 19 SD MET A 2 4.298 9.671 -8.938 1.00 0.00 S ATOM 20 CE MET A 2 3.086 10.855 -8.351 1.00 0.00 C ATOM 0 H MET A 2 3.236 5.256 -6.865 1.00 0.00 H new ATOM 0 HA MET A 2 2.437 7.301 -5.076 1.00 0.00 H new ATOM 0 HB2 MET A 2 2.211 9.066 -6.943 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.772 8.877 -6.170 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.525 7.450 -8.066 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.970 7.678 -8.842 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.207 11.796 -8.888 1.00 0.00 H new ATOM 0 HE2 MET A 2 2.083 10.465 -8.524 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.230 11.025 -7.284 1.00 0.00 H new ATOM 30 N ALA A 3 0.280 6.372 -5.822 1.00 0.00 N ATOM 31 CA ALA A 3 -1.062 5.956 -6.210 1.00 0.00 C ATOM 32 C ALA A 3 -2.038 6.170 -5.060 1.00 0.00 C ATOM 33 O ALA A 3 -3.001 5.421 -4.897 1.00 0.00 O ATOM 34 CB ALA A 3 -1.053 4.494 -6.631 1.00 0.00 C ATOM 0 H ALA A 3 0.436 6.388 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.387 6.563 -7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.060 4.192 -6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.379 4.363 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.714 3.878 -5.798 1.00 0.00 H new ATOM 40 N CYS A 4 -1.770 7.191 -4.257 1.00 0.00 N ATOM 41 CA CYS A 4 -2.604 7.508 -3.108 1.00 0.00 C ATOM 42 C CYS A 4 -4.045 7.771 -3.519 1.00 0.00 C ATOM 43 O CYS A 4 -4.313 8.274 -4.610 1.00 0.00 O ATOM 44 CB CYS A 4 -2.041 8.722 -2.366 1.00 0.00 C ATOM 45 SG CYS A 4 -1.765 10.178 -3.426 1.00 0.00 S ATOM 0 H CYS A 4 -0.975 7.817 -4.383 1.00 0.00 H new ATOM 0 HA CYS A 4 -2.597 6.644 -2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -2.727 8.994 -1.564 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.097 8.443 -1.897 1.00 0.00 H new ATOM 50 N TRP A 5 -4.969 7.430 -2.629 1.00 0.00 N ATOM 51 CA TRP A 5 -6.391 7.627 -2.880 1.00 0.00 C ATOM 52 C TRP A 5 -6.803 9.066 -2.574 1.00 0.00 C ATOM 53 O TRP A 5 -7.837 9.539 -3.045 1.00 0.00 O ATOM 54 CB TRP A 5 -7.217 6.655 -2.035 1.00 0.00 C ATOM 55 CG TRP A 5 -6.776 6.591 -0.604 1.00 0.00 C ATOM 56 CD1 TRP A 5 -6.033 5.610 -0.018 1.00 0.00 C ATOM 57 CD2 TRP A 5 -7.050 7.549 0.418 1.00 0.00 C ATOM 58 NE1 TRP A 5 -5.827 5.901 1.310 1.00 0.00 N ATOM 59 CE2 TRP A 5 -6.443 7.089 1.601 1.00 0.00 C ATOM 60 CE3 TRP A 5 -7.748 8.751 0.442 1.00 0.00 C ATOM 61 CZ2 TRP A 5 -6.518 7.796 2.798 1.00 0.00 C ATOM 62 CZ3 TRP A 5 -7.824 9.454 1.628 1.00 0.00 C ATOM 63 CH2 TRP A 5 -7.212 8.975 2.794 1.00 0.00 C ATOM 0 H TRP A 5 -4.757 7.014 -1.722 1.00 0.00 H new ATOM 0 HA TRP A 5 -6.581 7.431 -3.935 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.265 6.952 -2.072 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -7.153 5.659 -2.473 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.660 4.731 -0.523 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.302 5.327 1.970 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.223 9.128 -0.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -6.046 7.427 3.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -8.364 10.389 1.657 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.290 9.547 3.707 1.00 0.00 H new ATOM 74 N ALA A 6 -5.988 9.758 -1.779 1.00 0.00 N ATOM 75 CA ALA A 6 -6.269 11.139 -1.409 1.00 0.00 C ATOM 76 C ALA A 6 -6.150 12.070 -2.613 1.00 0.00 C ATOM 77 O ALA A 6 -6.886 13.052 -2.725 1.00 0.00 O ATOM 78 CB ALA A 6 -5.332 11.589 -0.299 1.00 0.00 C ATOM 0 H ALA A 6 -5.128 9.382 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.296 11.188 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.553 12.623 -0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.470 10.952 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.300 11.516 -0.642 1.00 0.00 H new ATOM 84 N GLN A 7 -5.221 11.758 -3.510 1.00 0.00 N ATOM 85 CA GLN A 7 -5.012 12.573 -4.702 1.00 0.00 C ATOM 86 C GLN A 7 -6.263 12.594 -5.571 1.00 0.00 C ATOM 87 O GLN A 7 -6.532 13.575 -6.265 1.00 0.00 O ATOM 88 CB GLN A 7 -3.823 12.049 -5.510 1.00 0.00 C ATOM 89 CG GLN A 7 -4.002 10.621 -5.995 1.00 0.00 C ATOM 90 CD GLN A 7 -4.124 10.527 -7.503 1.00 0.00 C ATOM 91 OE1 GLN A 7 -5.223 10.592 -8.054 1.00 0.00 O ATOM 92 NE2 GLN A 7 -2.992 10.372 -8.180 1.00 0.00 N ATOM 0 H GLN A 7 -4.603 10.950 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 7 -4.797 13.592 -4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.664 12.699 -6.370 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.924 12.106 -4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -3.154 10.020 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.893 10.194 -5.535 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.103 10.323 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -3.012 10.302 -9.197 1.00 0.00 H new ATOM 101 N SER A 8 -7.032 11.510 -5.524 1.00 0.00 N ATOM 102 CA SER A 8 -8.261 11.413 -6.304 1.00 0.00 C ATOM 103 C SER A 8 -9.186 12.590 -6.004 1.00 0.00 C ATOM 104 O SER A 8 -10.020 12.963 -6.828 1.00 0.00 O ATOM 105 CB SER A 8 -8.980 10.096 -6.003 1.00 0.00 C ATOM 106 OG SER A 8 -9.788 9.694 -7.095 1.00 0.00 O ATOM 0 H SER A 8 -6.826 10.689 -4.955 1.00 0.00 H new ATOM 0 HA SER A 8 -7.995 11.439 -7.361 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.247 9.320 -5.784 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.598 10.211 -5.112 1.00 0.00 H new ATOM 0 HG SER A 8 -10.235 8.849 -6.878 1.00 0.00 H new ATOM 112 N GLN A 9 -9.027 13.172 -4.818 1.00 0.00 N ATOM 113 CA GLN A 9 -9.842 14.307 -4.408 1.00 0.00 C ATOM 114 C GLN A 9 -9.084 15.618 -4.604 1.00 0.00 C ATOM 115 O GLN A 9 -9.689 16.664 -4.837 1.00 0.00 O ATOM 116 CB GLN A 9 -10.259 14.160 -2.944 1.00 0.00 C ATOM 117 CG GLN A 9 -10.778 12.775 -2.596 1.00 0.00 C ATOM 118 CD GLN A 9 -11.968 12.817 -1.657 1.00 0.00 C ATOM 119 OE1 GLN A 9 -13.073 13.187 -2.052 1.00 0.00 O ATOM 120 NE2 GLN A 9 -11.746 12.438 -0.404 1.00 0.00 N ATOM 0 H GLN A 9 -8.340 12.874 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.735 14.326 -5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.405 14.390 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.031 14.896 -2.719 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -11.061 12.256 -3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.977 12.196 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.813 12.138 -0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.508 12.446 0.274 1.00 0.00 H new ATOM 129 N GLY A 10 -7.759 15.554 -4.510 1.00 0.00 N ATOM 130 CA GLY A 10 -6.949 16.746 -4.681 1.00 0.00 C ATOM 131 C GLY A 10 -5.708 16.747 -3.809 1.00 0.00 C ATOM 132 O GLY A 10 -4.713 17.392 -4.138 1.00 0.00 O ATOM 0 H GLY A 10 -7.234 14.701 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.652 16.830 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.551 17.624 -4.448 1.00 0.00 H new ATOM 136 N TYR A 11 -5.765 16.025 -2.694 1.00 0.00 N ATOM 137 CA TYR A 11 -4.633 15.952 -1.775 1.00 0.00 C ATOM 138 C TYR A 11 -3.434 15.283 -2.444 1.00 0.00 C ATOM 139 O TYR A 11 -3.432 15.068 -3.656 1.00 0.00 O ATOM 140 CB TYR A 11 -5.035 15.193 -0.508 1.00 0.00 C ATOM 141 CG TYR A 11 -5.802 16.041 0.482 1.00 0.00 C ATOM 142 CD1 TYR A 11 -7.174 16.222 0.355 1.00 0.00 C ATOM 143 CD2 TYR A 11 -5.156 16.663 1.544 1.00 0.00 C ATOM 144 CE1 TYR A 11 -7.879 16.996 1.255 1.00 0.00 C ATOM 145 CE2 TYR A 11 -5.854 17.438 2.450 1.00 0.00 C ATOM 146 CZ TYR A 11 -7.215 17.602 2.300 1.00 0.00 C ATOM 147 OH TYR A 11 -7.914 18.375 3.200 1.00 0.00 O ATOM 0 H TYR A 11 -6.580 15.484 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.343 16.966 -1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.644 14.333 -0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.138 14.806 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.698 15.749 -0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.090 16.538 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.945 17.126 1.141 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.337 17.913 3.271 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.298 18.728 3.875 1.00 0.00 H new ATOM 157 N ASN A 12 -2.411 14.964 -1.656 1.00 0.00 N ATOM 158 CA ASN A 12 -1.210 14.328 -2.190 1.00 0.00 C ATOM 159 C ASN A 12 -0.886 13.040 -1.439 1.00 0.00 C ATOM 160 O ASN A 12 -1.468 12.754 -0.394 1.00 0.00 O ATOM 161 CB ASN A 12 -0.020 15.287 -2.111 1.00 0.00 C ATOM 162 CG ASN A 12 -0.363 16.679 -2.607 1.00 0.00 C ATOM 163 OD1 ASN A 12 -0.297 16.958 -3.804 1.00 0.00 O ATOM 164 ND2 ASN A 12 -0.733 17.558 -1.684 1.00 0.00 N ATOM 0 H ASN A 12 -2.389 15.134 -0.651 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.402 14.078 -3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.326 15.347 -1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.805 14.887 -2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.977 18.510 -1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.773 17.281 -0.703 1.00 0.00 H new ATOM 171 N CYS A 13 0.044 12.264 -1.989 1.00 0.00 N ATOM 172 CA CYS A 13 0.454 11.005 -1.388 1.00 0.00 C ATOM 173 C CYS A 13 1.426 11.224 -0.234 1.00 0.00 C ATOM 174 O CYS A 13 2.301 12.088 -0.300 1.00 0.00 O ATOM 175 CB CYS A 13 1.115 10.128 -2.446 1.00 0.00 C ATOM 176 SG CYS A 13 0.176 10.004 -4.003 1.00 0.00 S ATOM 0 H CYS A 13 0.529 12.490 -2.857 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.436 10.515 -0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.107 10.524 -2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.254 9.127 -2.038 1.00 0.00 H new ATOM 181 N CYS A 14 1.273 10.428 0.819 1.00 0.00 N ATOM 182 CA CYS A 14 2.144 10.524 1.984 1.00 0.00 C ATOM 183 C CYS A 14 3.210 9.439 1.953 1.00 0.00 C ATOM 184 O CYS A 14 2.909 8.252 2.081 1.00 0.00 O ATOM 185 CB CYS A 14 1.343 10.399 3.275 1.00 0.00 C ATOM 186 SG CYS A 14 1.414 11.863 4.360 1.00 0.00 S ATOM 0 H CYS A 14 0.553 9.709 0.889 1.00 0.00 H new ATOM 0 HA CYS A 14 2.624 11.502 1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.301 10.201 3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.707 9.534 3.830 1.00 0.00 H new ATOM 191 N ASN A 15 4.452 9.853 1.790 1.00 0.00 N ATOM 192 CA ASN A 15 5.568 8.923 1.751 1.00 0.00 C ATOM 193 C ASN A 15 5.671 8.132 3.055 1.00 0.00 C ATOM 194 O ASN A 15 5.908 8.698 4.121 1.00 0.00 O ATOM 195 CB ASN A 15 6.858 9.693 1.473 1.00 0.00 C ATOM 196 CG ASN A 15 7.449 10.343 2.711 1.00 0.00 C ATOM 197 OD1 ASN A 15 7.117 11.479 3.050 1.00 0.00 O ATOM 198 ND2 ASN A 15 8.333 9.622 3.393 1.00 0.00 N ATOM 0 H ASN A 15 4.716 10.832 1.682 1.00 0.00 H new ATOM 0 HA ASN A 15 5.403 8.203 0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.593 9.013 1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.660 10.462 0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.765 10.006 4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.579 8.684 3.076 1.00 0.00 H new ATOM 205 N ASN A 16 5.489 6.818 2.962 1.00 0.00 N ATOM 206 CA ASN A 16 5.559 5.943 4.130 1.00 0.00 C ATOM 207 C ASN A 16 4.290 6.080 4.985 1.00 0.00 C ATOM 208 O ASN A 16 4.329 6.505 6.138 1.00 0.00 O ATOM 209 CB ASN A 16 6.852 6.226 4.932 1.00 0.00 C ATOM 210 CG ASN A 16 6.629 6.711 6.355 1.00 0.00 C ATOM 211 OD1 ASN A 16 6.439 5.911 7.272 1.00 0.00 O ATOM 212 ND2 ASN A 16 6.652 8.024 6.544 1.00 0.00 N ATOM 0 H ASN A 16 5.291 6.333 2.087 1.00 0.00 H new ATOM 0 HA ASN A 16 5.605 4.905 3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.449 5.315 4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.438 6.973 4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.509 8.407 7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.813 8.650 5.755 1.00 0.00 H new ATOM 219 N PRO A 17 3.132 5.710 4.415 1.00 0.00 N ATOM 220 CA PRO A 17 1.848 5.785 5.118 1.00 0.00 C ATOM 221 C PRO A 17 1.749 4.768 6.252 1.00 0.00 C ATOM 222 O PRO A 17 0.876 4.869 7.114 1.00 0.00 O ATOM 223 CB PRO A 17 0.824 5.471 4.026 1.00 0.00 C ATOM 224 CG PRO A 17 1.573 4.676 3.015 1.00 0.00 C ATOM 225 CD PRO A 17 2.985 5.190 3.044 1.00 0.00 C ATOM 0 HA PRO A 17 1.699 6.755 5.592 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.019 4.908 4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.419 6.384 3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.540 3.613 3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.135 4.794 2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.705 4.399 2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.144 5.970 2.299 1.00 0.00 H new ATOM 233 N SER A 18 2.652 3.792 6.249 1.00 0.00 N ATOM 234 CA SER A 18 2.666 2.762 7.282 1.00 0.00 C ATOM 235 C SER A 18 3.111 3.332 8.626 1.00 0.00 C ATOM 236 O SER A 18 2.971 2.684 9.663 1.00 0.00 O ATOM 237 CB SER A 18 3.591 1.615 6.872 1.00 0.00 C ATOM 238 OG SER A 18 3.129 0.377 7.387 1.00 0.00 O ATOM 0 H SER A 18 3.382 3.693 5.544 1.00 0.00 H new ATOM 0 HA SER A 18 1.649 2.384 7.392 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.649 1.561 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.600 1.810 7.236 1.00 0.00 H new ATOM 0 HG SER A 18 3.737 -0.340 7.109 1.00 0.00 H new ATOM 244 N SER A 19 3.648 4.550 8.605 1.00 0.00 N ATOM 245 CA SER A 19 4.111 5.204 9.823 1.00 0.00 C ATOM 246 C SER A 19 3.513 6.604 9.956 1.00 0.00 C ATOM 247 O SER A 19 3.550 7.205 11.029 1.00 0.00 O ATOM 248 CB SER A 19 5.639 5.289 9.834 1.00 0.00 C ATOM 249 OG SER A 19 6.151 5.090 11.140 1.00 0.00 O ATOM 0 H SER A 19 3.773 5.103 7.757 1.00 0.00 H new ATOM 0 HA SER A 19 3.780 4.605 10.671 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.053 4.539 9.160 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.955 6.263 9.461 1.00 0.00 H new ATOM 0 HG SER A 19 7.129 5.148 11.120 1.00 0.00 H new ATOM 255 N THR A 20 2.961 7.117 8.857 1.00 0.00 N ATOM 256 CA THR A 20 2.357 8.431 8.833 1.00 0.00 C ATOM 257 C THR A 20 1.447 8.658 10.038 1.00 0.00 C ATOM 258 O THR A 20 0.605 7.820 10.361 1.00 0.00 O ATOM 259 CB THR A 20 1.561 8.582 7.540 1.00 0.00 C ATOM 260 OG1 THR A 20 2.425 8.599 6.418 1.00 0.00 O ATOM 261 CG2 THR A 20 0.743 9.838 7.502 1.00 0.00 C ATOM 0 H THR A 20 2.924 6.627 7.963 1.00 0.00 H new ATOM 0 HA THR A 20 3.149 9.179 8.880 1.00 0.00 H new ATOM 0 HB THR A 20 0.891 7.723 7.506 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.218 9.375 5.857 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.199 9.890 6.559 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.034 9.836 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.400 10.703 7.590 1.00 0.00 H new ATOM 269 N LYS A 21 1.612 9.807 10.687 1.00 0.00 N ATOM 270 CA LYS A 21 0.792 10.153 11.839 1.00 0.00 C ATOM 271 C LYS A 21 -0.631 10.455 11.390 1.00 0.00 C ATOM 272 O LYS A 21 -0.876 11.442 10.695 1.00 0.00 O ATOM 273 CB LYS A 21 1.379 11.359 12.576 1.00 0.00 C ATOM 274 CG LYS A 21 0.533 11.825 13.751 1.00 0.00 C ATOM 275 CD LYS A 21 0.661 10.883 14.937 1.00 0.00 C ATOM 276 CE LYS A 21 -0.266 11.287 16.072 1.00 0.00 C ATOM 277 NZ LYS A 21 0.302 12.400 16.882 1.00 0.00 N ATOM 0 H LYS A 21 2.305 10.511 10.434 1.00 0.00 H new ATOM 0 HA LYS A 21 0.778 9.305 12.524 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.376 11.105 12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.494 12.183 11.872 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.840 12.828 14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.512 11.888 13.446 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.430 9.866 14.622 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.692 10.880 15.291 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.230 11.590 15.663 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.449 10.426 16.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.360 12.646 17.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.210 12.102 17.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.453 13.230 16.274 1.00 0.00 H new ATOM 291 N VAL A 22 -1.565 9.599 11.780 1.00 0.00 N ATOM 292 CA VAL A 22 -2.946 9.765 11.413 1.00 0.00 C ATOM 293 C VAL A 22 -3.679 10.594 12.450 1.00 0.00 C ATOM 294 O VAL A 22 -4.160 10.077 13.459 1.00 0.00 O ATOM 295 CB VAL A 22 -3.631 8.390 11.256 1.00 0.00 C ATOM 296 CG1 VAL A 22 -5.137 8.481 11.468 1.00 0.00 C ATOM 297 CG2 VAL A 22 -3.315 7.801 9.893 1.00 0.00 C ATOM 0 H VAL A 22 -1.379 8.778 12.356 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.984 10.289 10.458 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.235 7.730 12.028 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.582 7.493 11.349 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.341 8.852 12.472 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.567 9.163 10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.803 6.832 9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.678 8.472 9.114 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.237 7.676 9.792 1.00 0.00 H new ATOM 307 N GLU A 23 -3.790 11.876 12.168 1.00 0.00 N ATOM 308 CA GLU A 23 -4.502 12.786 13.040 1.00 0.00 C ATOM 309 C GLU A 23 -5.892 13.011 12.470 1.00 0.00 C ATOM 310 O GLU A 23 -6.701 13.752 13.030 1.00 0.00 O ATOM 311 CB GLU A 23 -3.754 14.118 13.165 1.00 0.00 C ATOM 312 CG GLU A 23 -3.068 14.561 11.881 1.00 0.00 C ATOM 313 CD GLU A 23 -2.616 16.008 11.932 1.00 0.00 C ATOM 314 OE1 GLU A 23 -3.467 16.887 12.181 1.00 0.00 O ATOM 315 OE2 GLU A 23 -1.410 16.260 11.723 1.00 0.00 O ATOM 0 H GLU A 23 -3.393 12.313 11.336 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.574 12.353 14.038 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.457 14.891 13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.007 14.032 13.954 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.206 13.921 11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.752 14.427 11.043 1.00 0.00 H new ATOM 322 N TYR A 24 -6.155 12.359 11.337 1.00 0.00 N ATOM 323 CA TYR A 24 -7.449 12.479 10.668 1.00 0.00 C ATOM 324 C TYR A 24 -7.963 11.123 10.196 1.00 0.00 C ATOM 325 O TYR A 24 -7.183 10.203 9.949 1.00 0.00 O ATOM 326 CB TYR A 24 -7.346 13.435 9.478 1.00 0.00 C ATOM 327 CG TYR A 24 -8.647 14.129 9.141 1.00 0.00 C ATOM 328 CD1 TYR A 24 -9.661 13.457 8.466 1.00 0.00 C ATOM 329 CD2 TYR A 24 -8.863 15.454 9.495 1.00 0.00 C ATOM 330 CE1 TYR A 24 -10.850 14.088 8.154 1.00 0.00 C ATOM 331 CE2 TYR A 24 -10.051 16.092 9.188 1.00 0.00 C ATOM 332 CZ TYR A 24 -11.040 15.405 8.518 1.00 0.00 C ATOM 333 OH TYR A 24 -12.224 16.036 8.211 1.00 0.00 O ATOM 0 H TYR A 24 -5.491 11.745 10.865 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.158 12.878 11.393 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.588 14.188 9.693 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.004 12.879 8.605 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.516 12.425 8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -8.090 15.996 10.019 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.627 13.553 7.628 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.203 17.123 9.472 1.00 0.00 H new ATOM 0 HH TYR A 24 -12.886 15.370 7.930 1.00 0.00 H new ATOM 343 N THR A 25 -9.279 11.012 10.053 1.00 0.00 N ATOM 344 CA THR A 25 -9.895 9.775 9.590 1.00 0.00 C ATOM 345 C THR A 25 -11.330 10.013 9.138 1.00 0.00 C ATOM 346 O THR A 25 -12.250 10.067 9.954 1.00 0.00 O ATOM 347 CB THR A 25 -9.868 8.711 10.686 1.00 0.00 C ATOM 348 OG1 THR A 25 -8.550 8.519 11.169 1.00 0.00 O ATOM 349 CG2 THR A 25 -10.388 7.370 10.215 1.00 0.00 C ATOM 0 H THR A 25 -9.939 11.764 10.251 1.00 0.00 H new ATOM 0 HA THR A 25 -9.316 9.419 8.738 1.00 0.00 H new ATOM 0 HB THR A 25 -10.521 9.084 11.475 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.907 8.754 10.468 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.345 6.654 11.036 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.420 7.477 9.881 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.774 7.012 9.389 1.00 0.00 H new ATOM 357 N ASP A 26 -11.513 10.144 7.831 1.00 0.00 N ATOM 358 CA ASP A 26 -12.833 10.365 7.258 1.00 0.00 C ATOM 359 C ASP A 26 -13.336 9.086 6.591 1.00 0.00 C ATOM 360 O ASP A 26 -12.896 7.989 6.934 1.00 0.00 O ATOM 361 CB ASP A 26 -12.782 11.513 6.245 1.00 0.00 C ATOM 362 CG ASP A 26 -13.913 12.504 6.436 1.00 0.00 C ATOM 363 OD1 ASP A 26 -14.865 12.481 5.629 1.00 0.00 O ATOM 364 OD2 ASP A 26 -13.846 13.303 7.394 1.00 0.00 O ATOM 0 H ASP A 26 -10.759 10.101 7.145 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.525 10.636 8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.828 12.033 6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.827 11.105 5.235 1.00 0.00 H new ATOM 369 N ALA A 27 -14.252 9.225 5.637 1.00 0.00 N ATOM 370 CA ALA A 27 -14.789 8.065 4.932 1.00 0.00 C ATOM 371 C ALA A 27 -13.937 7.707 3.719 1.00 0.00 C ATOM 372 O ALA A 27 -14.339 6.899 2.883 1.00 0.00 O ATOM 373 CB ALA A 27 -16.232 8.315 4.519 1.00 0.00 C ATOM 0 H ALA A 27 -14.635 10.121 5.336 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.764 7.217 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.617 7.440 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.837 8.502 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.277 9.182 3.860 1.00 0.00 H new ATOM 379 N SER A 28 -12.749 8.296 3.643 1.00 0.00 N ATOM 380 CA SER A 28 -11.826 8.023 2.551 1.00 0.00 C ATOM 381 C SER A 28 -10.527 7.453 3.107 1.00 0.00 C ATOM 382 O SER A 28 -9.500 7.426 2.427 1.00 0.00 O ATOM 383 CB SER A 28 -11.544 9.300 1.756 1.00 0.00 C ATOM 384 OG SER A 28 -11.324 9.010 0.386 1.00 0.00 O ATOM 0 H SER A 28 -12.403 8.968 4.328 1.00 0.00 H new ATOM 0 HA SER A 28 -12.280 7.293 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.385 9.987 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.670 9.804 2.169 1.00 0.00 H new ATOM 0 HG SER A 28 -10.364 8.890 0.227 1.00 0.00 H new ATOM 390 N GLY A 29 -10.584 7.006 4.360 1.00 0.00 N ATOM 391 CA GLY A 29 -9.422 6.449 5.014 1.00 0.00 C ATOM 392 C GLY A 29 -8.882 7.378 6.079 1.00 0.00 C ATOM 393 O GLY A 29 -9.647 7.932 6.869 1.00 0.00 O ATOM 0 H GLY A 29 -11.426 7.023 4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.682 5.491 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.646 6.254 4.274 1.00 0.00 H new ATOM 397 N GLN A 30 -7.566 7.559 6.109 1.00 0.00 N ATOM 398 CA GLN A 30 -6.951 8.438 7.093 1.00 0.00 C ATOM 399 C GLN A 30 -6.079 9.490 6.418 1.00 0.00 C ATOM 400 O GLN A 30 -5.696 9.342 5.257 1.00 0.00 O ATOM 401 CB GLN A 30 -6.116 7.623 8.080 1.00 0.00 C ATOM 402 CG GLN A 30 -6.799 6.349 8.547 1.00 0.00 C ATOM 403 CD GLN A 30 -5.849 5.406 9.259 1.00 0.00 C ATOM 404 OE1 GLN A 30 -5.836 5.328 10.487 1.00 0.00 O ATOM 405 NE2 GLN A 30 -5.047 4.682 8.487 1.00 0.00 N ATOM 0 H GLN A 30 -6.910 7.112 5.468 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.747 8.949 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.165 7.366 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.888 8.242 8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.620 6.606 9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.235 5.839 7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.092 4.779 7.473 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.386 4.029 8.908 1.00 0.00 H new ATOM 414 N TRP A 31 -5.765 10.549 7.154 1.00 0.00 N ATOM 415 CA TRP A 31 -4.932 11.624 6.632 1.00 0.00 C ATOM 416 C TRP A 31 -3.908 12.058 7.673 1.00 0.00 C ATOM 417 O TRP A 31 -4.255 12.340 8.820 1.00 0.00 O ATOM 418 CB TRP A 31 -5.785 12.823 6.210 1.00 0.00 C ATOM 419 CG TRP A 31 -7.083 12.442 5.567 1.00 0.00 C ATOM 420 CD1 TRP A 31 -8.129 11.787 6.152 1.00 0.00 C ATOM 421 CD2 TRP A 31 -7.474 12.695 4.214 1.00 0.00 C ATOM 422 NE1 TRP A 31 -9.148 11.619 5.245 1.00 0.00 N ATOM 423 CE2 TRP A 31 -8.770 12.169 4.048 1.00 0.00 C ATOM 424 CE3 TRP A 31 -6.854 13.317 3.127 1.00 0.00 C ATOM 425 CZ2 TRP A 31 -9.455 12.247 2.837 1.00 0.00 C ATOM 426 CZ3 TRP A 31 -7.535 13.393 1.927 1.00 0.00 C ATOM 427 CH2 TRP A 31 -8.823 12.862 1.790 1.00 0.00 C ATOM 0 H TRP A 31 -6.076 10.686 8.116 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.408 11.246 5.754 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.990 13.438 7.086 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.213 13.438 5.516 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.152 11.450 7.178 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -10.040 11.160 5.432 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.861 13.731 3.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -10.448 11.837 2.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.065 13.871 1.080 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -9.328 12.939 0.839 1.00 0.00 H new ATOM 438 N GLY A 32 -2.646 12.106 7.266 1.00 0.00 N ATOM 439 CA GLY A 32 -1.592 12.502 8.176 1.00 0.00 C ATOM 440 C GLY A 32 -0.627 13.488 7.551 1.00 0.00 C ATOM 441 O GLY A 32 -0.355 13.428 6.352 1.00 0.00 O ATOM 0 H GLY A 32 -2.335 11.878 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.034 12.947 9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.044 11.617 8.499 1.00 0.00 H new ATOM 445 N VAL A 33 -0.107 14.396 8.367 1.00 0.00 N ATOM 446 CA VAL A 33 0.837 15.399 7.893 1.00 0.00 C ATOM 447 C VAL A 33 2.266 14.882 7.983 1.00 0.00 C ATOM 448 O VAL A 33 2.817 14.738 9.075 1.00 0.00 O ATOM 449 CB VAL A 33 0.727 16.709 8.698 1.00 0.00 C ATOM 450 CG1 VAL A 33 1.675 17.763 8.141 1.00 0.00 C ATOM 451 CG2 VAL A 33 -0.708 17.217 8.695 1.00 0.00 C ATOM 0 H VAL A 33 -0.324 14.458 9.362 1.00 0.00 H new ATOM 0 HA VAL A 33 0.585 15.604 6.852 1.00 0.00 H new ATOM 0 HB VAL A 33 1.015 16.505 9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.582 18.680 8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.700 17.398 8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.422 17.966 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.768 18.142 9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.026 17.404 7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.360 16.469 9.146 1.00 0.00 H new ATOM 461 N GLN A 34 2.864 14.611 6.831 1.00 0.00 N ATOM 462 CA GLN A 34 4.233 14.116 6.784 1.00 0.00 C ATOM 463 C GLN A 34 5.088 14.976 5.866 1.00 0.00 C ATOM 464 O GLN A 34 4.851 15.035 4.664 1.00 0.00 O ATOM 465 CB GLN A 34 4.264 12.665 6.306 1.00 0.00 C ATOM 466 CG GLN A 34 5.486 11.901 6.785 1.00 0.00 C ATOM 467 CD GLN A 34 5.191 10.437 7.041 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.428 9.924 8.135 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.672 9.756 6.028 1.00 0.00 N ATOM 0 H GLN A 34 2.424 14.725 5.918 1.00 0.00 H new ATOM 0 HA GLN A 34 4.641 14.167 7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.366 12.156 6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.237 12.648 5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.277 11.984 6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.861 12.358 7.701 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.492 10.222 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.453 8.766 6.138 1.00 0.00 H new ATOM 478 N ASN A 35 6.083 15.638 6.450 1.00 0.00 N ATOM 479 CA ASN A 35 6.994 16.502 5.702 1.00 0.00 C ATOM 480 C ASN A 35 6.350 17.855 5.395 1.00 0.00 C ATOM 481 O ASN A 35 6.727 18.533 4.440 1.00 0.00 O ATOM 482 CB ASN A 35 7.484 15.792 4.420 1.00 0.00 C ATOM 483 CG ASN A 35 6.720 16.162 3.155 1.00 0.00 C ATOM 484 OD1 ASN A 35 5.625 16.724 3.206 1.00 0.00 O ATOM 485 ND2 ASN A 35 7.297 15.834 2.006 1.00 0.00 N ATOM 0 H ASN A 35 6.281 15.592 7.450 1.00 0.00 H new ATOM 0 HA ASN A 35 7.867 16.701 6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.538 16.025 4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.414 14.714 4.568 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.833 16.047 1.123 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.205 15.369 2.006 1.00 0.00 H new ATOM 492 N GLY A 36 5.384 18.244 6.222 1.00 0.00 N ATOM 493 CA GLY A 36 4.710 19.515 6.029 1.00 0.00 C ATOM 494 C GLY A 36 3.799 19.509 4.819 1.00 0.00 C ATOM 495 O GLY A 36 3.780 20.467 4.045 1.00 0.00 O ATOM 0 H GLY A 36 5.056 17.702 7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.126 19.752 6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.454 20.304 5.916 1.00 0.00 H new ATOM 499 N GLN A 37 3.046 18.429 4.653 1.00 0.00 N ATOM 500 CA GLN A 37 2.131 18.303 3.525 1.00 0.00 C ATOM 501 C GLN A 37 1.008 17.319 3.838 1.00 0.00 C ATOM 502 O GLN A 37 1.258 16.191 4.264 1.00 0.00 O ATOM 503 CB GLN A 37 2.891 17.848 2.276 1.00 0.00 C ATOM 504 CG GLN A 37 4.061 18.748 1.914 1.00 0.00 C ATOM 505 CD GLN A 37 4.725 18.344 0.613 1.00 0.00 C ATOM 506 OE1 GLN A 37 5.941 18.157 0.554 1.00 0.00 O ATOM 507 NE2 GLN A 37 3.929 18.208 -0.441 1.00 0.00 N ATOM 0 H GLN A 37 3.051 17.628 5.285 1.00 0.00 H new ATOM 0 HA GLN A 37 1.688 19.281 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.259 16.834 2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.200 17.809 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.712 19.778 1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.797 18.721 2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.927 18.373 -0.348 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.320 17.939 -1.344 1.00 0.00 H new ATOM 516 N TRP A 38 -0.230 17.755 3.621 1.00 0.00 N ATOM 517 CA TRP A 38 -1.393 16.913 3.873 1.00 0.00 C ATOM 518 C TRP A 38 -1.488 15.803 2.834 1.00 0.00 C ATOM 519 O TRP A 38 -1.617 16.068 1.639 1.00 0.00 O ATOM 520 CB TRP A 38 -2.672 17.754 3.848 1.00 0.00 C ATOM 521 CG TRP A 38 -3.112 18.215 5.203 1.00 0.00 C ATOM 522 CD1 TRP A 38 -3.418 19.493 5.571 1.00 0.00 C ATOM 523 CD2 TRP A 38 -3.300 17.404 6.368 1.00 0.00 C ATOM 524 NE1 TRP A 38 -3.783 19.528 6.895 1.00 0.00 N ATOM 525 CE2 TRP A 38 -3.719 18.258 7.406 1.00 0.00 C ATOM 526 CE3 TRP A 38 -3.155 16.040 6.635 1.00 0.00 C ATOM 527 CZ2 TRP A 38 -3.994 17.791 8.689 1.00 0.00 C ATOM 528 CZ3 TRP A 38 -3.429 15.578 7.910 1.00 0.00 C ATOM 529 CH2 TRP A 38 -3.845 16.452 8.922 1.00 0.00 C ATOM 0 H TRP A 38 -0.452 18.687 3.271 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.280 16.462 4.859 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -2.512 18.624 3.211 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.473 17.170 3.394 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.379 20.352 4.917 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.057 20.363 7.413 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.835 15.359 5.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.314 18.463 9.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.320 14.526 8.128 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.052 16.060 9.907 1.00 0.00 H new ATOM 540 N CYS A 39 -1.423 14.558 3.292 1.00 0.00 N ATOM 541 CA CYS A 39 -1.502 13.413 2.393 1.00 0.00 C ATOM 542 C CYS A 39 -2.248 12.252 3.042 1.00 0.00 C ATOM 543 O CYS A 39 -2.235 12.097 4.263 1.00 0.00 O ATOM 544 CB CYS A 39 -0.101 12.958 1.962 1.00 0.00 C ATOM 545 SG CYS A 39 1.244 13.442 3.093 1.00 0.00 S ATOM 0 H CYS A 39 -1.316 14.316 4.277 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.057 13.729 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.101 11.872 1.865 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.110 13.367 0.974 1.00 0.00 H new ATOM 550 N GLY A 40 -2.894 11.439 2.214 1.00 0.00 N ATOM 551 CA GLY A 40 -3.636 10.300 2.718 1.00 0.00 C ATOM 552 C GLY A 40 -2.743 9.111 3.008 1.00 0.00 C ATOM 553 O GLY A 40 -1.619 9.034 2.513 1.00 0.00 O ATOM 0 H GLY A 40 -2.917 11.549 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.162 10.587 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.394 10.012 1.989 1.00 0.00 H new ATOM 557 N ILE A 41 -3.243 8.181 3.815 1.00 0.00 N ATOM 558 CA ILE A 41 -2.480 6.991 4.173 1.00 0.00 C ATOM 559 C ILE A 41 -2.861 5.814 3.279 1.00 0.00 C ATOM 560 O ILE A 41 -3.986 5.318 3.336 1.00 0.00 O ATOM 561 CB ILE A 41 -2.701 6.596 5.649 1.00 0.00 C ATOM 562 CG1 ILE A 41 -3.080 7.815 6.491 1.00 0.00 C ATOM 563 CG2 ILE A 41 -1.462 5.929 6.212 1.00 0.00 C ATOM 564 CD1 ILE A 41 -2.048 8.920 6.473 1.00 0.00 C ATOM 0 H ILE A 41 -4.172 8.228 4.233 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.427 7.233 4.029 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.527 5.886 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.029 8.212 6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.239 7.497 7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.636 5.658 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.238 5.031 5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.619 6.618 6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.391 9.748 7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.103 8.542 6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.905 9.268 5.450 1.00 0.00 H new ATOM 576 N ASP A 42 -1.919 5.378 2.446 1.00 0.00 N ATOM 577 CA ASP A 42 -2.162 4.266 1.529 1.00 0.00 C ATOM 578 C ASP A 42 -0.913 3.398 1.373 1.00 0.00 C ATOM 579 O ASP A 42 -0.026 3.710 0.581 1.00 0.00 O ATOM 580 CB ASP A 42 -2.604 4.792 0.158 1.00 0.00 C ATOM 581 CG ASP A 42 -2.165 6.223 -0.091 1.00 0.00 C ATOM 582 OD1 ASP A 42 -0.943 6.480 -0.077 1.00 0.00 O ATOM 583 OD2 ASP A 42 -3.044 7.086 -0.300 1.00 0.00 O ATOM 0 H ASP A 42 -0.982 5.777 2.387 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.958 3.652 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.194 4.150 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.690 4.731 0.083 1.00 0.00 H new ATOM 588 N TYR A 43 -0.856 2.304 2.129 1.00 0.00 N ATOM 589 CA TYR A 43 0.286 1.393 2.068 1.00 0.00 C ATOM 590 C TYR A 43 0.479 0.860 0.651 1.00 0.00 C ATOM 591 O TYR A 43 1.605 0.616 0.216 1.00 0.00 O ATOM 592 CB TYR A 43 0.099 0.224 3.042 1.00 0.00 C ATOM 593 CG TYR A 43 -0.515 0.620 4.367 1.00 0.00 C ATOM 594 CD1 TYR A 43 -1.460 -0.191 4.986 1.00 0.00 C ATOM 595 CD2 TYR A 43 -0.153 1.803 4.998 1.00 0.00 C ATOM 596 CE1 TYR A 43 -2.025 0.168 6.196 1.00 0.00 C ATOM 597 CE2 TYR A 43 -0.713 2.168 6.208 1.00 0.00 C ATOM 598 CZ TYR A 43 -1.648 1.347 6.802 1.00 0.00 C ATOM 599 OH TYR A 43 -2.209 1.707 8.006 1.00 0.00 O ATOM 0 H TYR A 43 -1.583 2.027 2.788 1.00 0.00 H new ATOM 0 HA TYR A 43 1.176 1.953 2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.532 -0.530 2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.068 -0.241 3.226 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.757 -1.116 4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.579 2.449 4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.758 -0.472 6.664 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.420 3.091 6.685 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.409 0.902 8.527 1.00 0.00 H new ATOM 609 N SER A 44 -0.627 0.684 -0.065 1.00 0.00 N ATOM 610 CA SER A 44 -0.583 0.184 -1.436 1.00 0.00 C ATOM 611 C SER A 44 -0.869 1.302 -2.430 1.00 0.00 C ATOM 612 O SER A 44 -1.706 1.153 -3.322 1.00 0.00 O ATOM 613 CB SER A 44 -1.597 -0.944 -1.627 1.00 0.00 C ATOM 614 OG SER A 44 -1.039 -2.199 -1.278 1.00 0.00 O ATOM 0 H SER A 44 -1.566 0.880 0.281 1.00 0.00 H new ATOM 0 HA SER A 44 0.420 -0.201 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.478 -0.752 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.929 -0.967 -2.665 1.00 0.00 H new ATOM 0 HG SER A 44 -1.709 -2.902 -1.408 1.00 0.00 H new ATOM 620 N TYR A 45 -0.180 2.424 -2.273 1.00 0.00 N ATOM 621 CA TYR A 45 -0.377 3.560 -3.160 1.00 0.00 C ATOM 622 C TYR A 45 0.537 3.482 -4.387 1.00 0.00 C ATOM 623 O TYR A 45 0.981 4.502 -4.902 1.00 0.00 O ATOM 624 CB TYR A 45 -0.162 4.878 -2.394 1.00 0.00 C ATOM 625 CG TYR A 45 1.257 5.401 -2.442 1.00 0.00 C ATOM 626 CD1 TYR A 45 1.519 6.764 -2.419 1.00 0.00 C ATOM 627 CD2 TYR A 45 2.329 4.528 -2.520 1.00 0.00 C ATOM 628 CE1 TYR A 45 2.817 7.239 -2.471 1.00 0.00 C ATOM 629 CE2 TYR A 45 3.621 4.989 -2.575 1.00 0.00 C ATOM 630 CZ TYR A 45 3.865 6.345 -2.551 1.00 0.00 C ATOM 631 OH TYR A 45 5.159 6.810 -2.598 1.00 0.00 O ATOM 0 H TYR A 45 0.517 2.571 -1.543 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.405 3.531 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.830 5.636 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.447 4.730 -1.352 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.698 7.463 -2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.145 3.464 -2.538 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.009 8.302 -2.449 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.443 4.291 -2.637 1.00 0.00 H new ATOM 0 HH TYR A 45 5.302 7.294 -3.438 1.00 0.00 H new ATOM 641 N GLY A 46 0.819 2.274 -4.855 1.00 0.00 N ATOM 642 CA GLY A 46 1.669 2.119 -6.022 1.00 0.00 C ATOM 643 C GLY A 46 2.975 1.415 -5.722 1.00 0.00 C ATOM 644 O GLY A 46 3.627 0.900 -6.629 1.00 0.00 O ATOM 0 H GLY A 46 0.477 1.402 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.129 1.558 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.882 3.102 -6.441 1.00 0.00 H new ATOM 648 N GLN A 47 3.365 1.391 -4.452 1.00 0.00 N ATOM 649 CA GLN A 47 4.609 0.743 -4.052 1.00 0.00 C ATOM 650 C GLN A 47 4.717 -0.653 -4.664 1.00 0.00 C ATOM 651 O GLN A 47 3.991 -1.566 -4.277 1.00 0.00 O ATOM 652 CB GLN A 47 4.698 0.653 -2.528 1.00 0.00 C ATOM 653 CG GLN A 47 4.729 2.006 -1.841 1.00 0.00 C ATOM 654 CD GLN A 47 5.003 1.899 -0.353 1.00 0.00 C ATOM 655 OE1 GLN A 47 4.588 0.940 0.299 1.00 0.00 O ATOM 656 NE2 GLN A 47 5.705 2.885 0.192 1.00 0.00 N ATOM 0 H GLN A 47 2.840 1.811 -3.685 1.00 0.00 H new ATOM 0 HA GLN A 47 5.438 1.348 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.846 0.085 -2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.595 0.096 -2.257 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.496 2.627 -2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.775 2.510 -1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.029 3.660 -0.386 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.920 2.867 1.189 1.00 0.00 H new ATOM 665 N ASN A 48 5.622 -0.805 -5.624 1.00 0.00 N ATOM 666 CA ASN A 48 5.820 -2.084 -6.297 1.00 0.00 C ATOM 667 C ASN A 48 6.444 -3.111 -5.357 1.00 0.00 C ATOM 668 O ASN A 48 6.772 -2.804 -4.211 1.00 0.00 O ATOM 669 CB ASN A 48 6.711 -1.907 -7.528 1.00 0.00 C ATOM 670 CG ASN A 48 6.204 -0.826 -8.463 1.00 0.00 C ATOM 671 OD1 ASN A 48 5.443 0.053 -8.060 1.00 0.00 O ATOM 672 ND2 ASN A 48 6.626 -0.886 -9.720 1.00 0.00 N ATOM 0 H ASN A 48 6.232 -0.057 -5.955 1.00 0.00 H new ATOM 0 HA ASN A 48 4.842 -2.449 -6.609 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.723 -1.660 -7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.770 -2.852 -8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.319 -0.185 -10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.257 -1.633 -10.011 1.00 0.00 H new ATOM 679 N GLN A 49 6.613 -4.332 -5.859 1.00 0.00 N ATOM 680 CA GLN A 49 7.207 -5.410 -5.075 1.00 0.00 C ATOM 681 C GLN A 49 8.677 -5.092 -4.746 1.00 0.00 C ATOM 682 O GLN A 49 9.301 -5.782 -3.938 1.00 0.00 O ATOM 683 CB GLN A 49 7.082 -6.741 -5.844 1.00 0.00 C ATOM 684 CG GLN A 49 8.202 -7.752 -5.586 1.00 0.00 C ATOM 685 CD GLN A 49 7.705 -9.034 -4.953 1.00 0.00 C ATOM 686 OE1 GLN A 49 6.602 -9.086 -4.413 1.00 0.00 O ATOM 687 NE2 GLN A 49 8.527 -10.076 -5.009 1.00 0.00 N ATOM 0 H GLN A 49 6.346 -4.599 -6.807 1.00 0.00 H new ATOM 0 HA GLN A 49 6.671 -5.504 -4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.130 -7.204 -5.584 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.050 -6.523 -6.912 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.697 -7.986 -6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.951 -7.299 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.434 -9.986 -5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.252 -10.966 -4.593 1.00 0.00 H new ATOM 696 N GLY A 50 9.220 -4.044 -5.378 1.00 0.00 N ATOM 697 CA GLY A 50 10.606 -3.634 -5.163 1.00 0.00 C ATOM 698 C GLY A 50 11.095 -3.826 -3.737 1.00 0.00 C ATOM 699 O GLY A 50 12.289 -4.019 -3.516 1.00 0.00 O ATOM 0 H GLY A 50 8.713 -3.463 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.250 -4.200 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.709 -2.583 -5.433 1.00 0.00 H new ATOM 703 N ASN A 51 10.172 -3.779 -2.778 1.00 0.00 N ATOM 704 CA ASN A 51 10.494 -3.960 -1.361 1.00 0.00 C ATOM 705 C ASN A 51 10.925 -2.645 -0.706 1.00 0.00 C ATOM 706 O ASN A 51 11.359 -2.632 0.446 1.00 0.00 O ATOM 707 CB ASN A 51 11.558 -5.063 -1.183 1.00 0.00 C ATOM 708 CG ASN A 51 12.895 -4.556 -0.665 1.00 0.00 C ATOM 709 OD1 ASN A 51 13.079 -4.376 0.539 1.00 0.00 O ATOM 710 ND2 ASN A 51 13.839 -4.329 -1.571 1.00 0.00 N ATOM 0 H ASN A 51 9.182 -3.615 -2.959 1.00 0.00 H new ATOM 0 HA ASN A 51 9.588 -4.283 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.175 -5.815 -0.494 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.716 -5.559 -2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.757 -3.993 -1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.647 -4.491 -2.560 1.00 0.00 H new ATOM 717 N GLU A 52 10.781 -1.538 -1.430 1.00 0.00 N ATOM 718 CA GLU A 52 11.138 -0.230 -0.893 1.00 0.00 C ATOM 719 C GLU A 52 10.346 0.055 0.381 1.00 0.00 C ATOM 720 O GLU A 52 10.786 0.813 1.246 1.00 0.00 O ATOM 721 CB GLU A 52 10.872 0.863 -1.930 1.00 0.00 C ATOM 722 CG GLU A 52 9.412 0.971 -2.340 1.00 0.00 C ATOM 723 CD GLU A 52 8.732 2.195 -1.761 1.00 0.00 C ATOM 724 OE1 GLU A 52 8.990 2.516 -0.581 1.00 0.00 O ATOM 725 OE2 GLU A 52 7.941 2.834 -2.487 1.00 0.00 O ATOM 0 H GLU A 52 10.422 -1.521 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 52 12.201 -0.235 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.199 1.822 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.476 0.666 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.346 1.004 -3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.880 0.077 -2.015 1.00 0.00 H new ATOM 732 N SER A 53 9.175 -0.569 0.488 1.00 0.00 N ATOM 733 CA SER A 53 8.312 -0.402 1.649 1.00 0.00 C ATOM 734 C SER A 53 7.843 -1.759 2.166 1.00 0.00 C ATOM 735 O SER A 53 7.448 -2.626 1.388 1.00 0.00 O ATOM 736 CB SER A 53 7.107 0.473 1.294 1.00 0.00 C ATOM 737 OG SER A 53 7.147 1.704 1.996 1.00 0.00 O ATOM 0 H SER A 53 8.802 -1.199 -0.222 1.00 0.00 H new ATOM 0 HA SER A 53 8.884 0.091 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.095 0.663 0.221 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.185 -0.057 1.534 1.00 0.00 H new ATOM 0 HG SER A 53 6.435 1.720 2.669 1.00 0.00 H new ATOM 743 N CYS A 54 7.894 -1.938 3.482 1.00 0.00 N ATOM 744 CA CYS A 54 7.479 -3.194 4.097 1.00 0.00 C ATOM 745 C CYS A 54 6.356 -2.960 5.105 1.00 0.00 C ATOM 746 O CYS A 54 6.072 -1.822 5.482 1.00 0.00 O ATOM 747 CB CYS A 54 8.688 -3.878 4.763 1.00 0.00 C ATOM 748 SG CYS A 54 8.620 -3.993 6.586 1.00 0.00 S ATOM 0 H CYS A 54 8.218 -1.231 4.142 1.00 0.00 H new ATOM 0 HA CYS A 54 7.092 -3.854 3.320 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.784 -4.885 4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.590 -3.334 4.484 1.00 0.00 H new ATOM 753 N THR A 55 5.728 -4.045 5.546 1.00 0.00 N ATOM 754 CA THR A 55 4.647 -3.959 6.518 1.00 0.00 C ATOM 755 C THR A 55 5.206 -4.048 7.932 1.00 0.00 C ATOM 756 O THR A 55 6.268 -4.630 8.154 1.00 0.00 O ATOM 757 CB THR A 55 3.625 -5.077 6.284 1.00 0.00 C ATOM 758 OG1 THR A 55 2.938 -4.877 5.061 1.00 0.00 O ATOM 759 CG2 THR A 55 2.585 -5.187 7.382 1.00 0.00 C ATOM 0 H THR A 55 5.950 -4.994 5.245 1.00 0.00 H new ATOM 0 HA THR A 55 4.145 -2.999 6.395 1.00 0.00 H new ATOM 0 HB THR A 55 4.207 -5.999 6.268 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.360 -5.413 4.357 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.895 -5.999 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.079 -5.391 8.332 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.032 -4.250 7.455 1.00 0.00 H new ATOM 767 N GLY A 56 4.491 -3.470 8.887 1.00 0.00 N ATOM 768 CA GLY A 56 4.940 -3.503 10.262 1.00 0.00 C ATOM 769 C GLY A 56 5.915 -2.392 10.584 1.00 0.00 C ATOM 770 O GLY A 56 6.488 -2.361 11.671 1.00 0.00 O ATOM 0 H GLY A 56 3.610 -2.980 8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.077 -3.427 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.412 -4.465 10.463 1.00 0.00 H new ATOM 774 N ASN A 57 6.100 -1.469 9.644 1.00 0.00 N ATOM 775 CA ASN A 57 7.008 -0.349 9.847 1.00 0.00 C ATOM 776 C ASN A 57 6.352 0.742 10.691 1.00 0.00 C ATOM 777 O ASN A 57 6.930 1.810 10.896 1.00 0.00 O ATOM 778 CB ASN A 57 7.447 0.230 8.501 1.00 0.00 C ATOM 779 CG ASN A 57 8.594 -0.547 7.884 1.00 0.00 C ATOM 780 OD1 ASN A 57 9.598 -0.823 8.541 1.00 0.00 O ATOM 781 ND2 ASN A 57 8.449 -0.903 6.612 1.00 0.00 N ATOM 0 H ASN A 57 5.633 -1.476 8.737 1.00 0.00 H new ATOM 0 HA ASN A 57 7.884 -0.719 10.381 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.600 0.229 7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.747 1.269 8.636 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.187 -1.427 6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.599 -0.653 6.106 1.00 0.00 H new ATOM 788 N GLY A 58 5.143 0.471 11.183 1.00 0.00 N ATOM 789 CA GLY A 58 4.443 1.442 11.997 1.00 0.00 C ATOM 790 C GLY A 58 4.794 1.330 13.468 1.00 0.00 C ATOM 791 O GLY A 58 4.474 2.222 14.255 1.00 0.00 O ATOM 0 H GLY A 58 4.640 -0.403 11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.682 2.446 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.368 1.308 11.872 1.00 0.00 H new ATOM 795 N SER A 59 5.452 0.236 13.848 1.00 0.00 N ATOM 796 CA SER A 59 5.835 0.031 15.238 1.00 0.00 C ATOM 797 C SER A 59 6.990 -0.962 15.366 1.00 0.00 C ATOM 798 O SER A 59 8.016 -0.656 15.974 1.00 0.00 O ATOM 799 CB SER A 59 4.636 -0.461 16.050 1.00 0.00 C ATOM 800 OG SER A 59 5.000 -0.717 17.395 1.00 0.00 O ATOM 0 H SER A 59 5.728 -0.515 13.216 1.00 0.00 H new ATOM 0 HA SER A 59 6.172 0.991 15.631 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.842 0.286 16.021 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.236 -1.369 15.599 1.00 0.00 H new ATOM 0 HG SER A 59 4.215 -1.029 17.893 1.00 0.00 H new ATOM 806 N TYR A 60 6.813 -2.152 14.801 1.00 0.00 N ATOM 807 CA TYR A 60 7.843 -3.190 14.866 1.00 0.00 C ATOM 808 C TYR A 60 8.757 -3.136 13.642 1.00 0.00 C ATOM 809 O TYR A 60 8.577 -2.298 12.760 1.00 0.00 O ATOM 810 CB TYR A 60 7.206 -4.585 14.979 1.00 0.00 C ATOM 811 CG TYR A 60 5.719 -4.575 15.257 1.00 0.00 C ATOM 812 CD1 TYR A 60 4.805 -4.778 14.232 1.00 0.00 C ATOM 813 CD2 TYR A 60 5.230 -4.368 16.541 1.00 0.00 C ATOM 814 CE1 TYR A 60 3.446 -4.774 14.475 1.00 0.00 C ATOM 815 CE2 TYR A 60 3.872 -4.363 16.794 1.00 0.00 C ATOM 816 CZ TYR A 60 2.984 -4.565 15.758 1.00 0.00 C ATOM 817 OH TYR A 60 1.630 -4.561 16.005 1.00 0.00 O ATOM 0 H TYR A 60 5.970 -2.424 14.294 1.00 0.00 H new ATOM 0 HA TYR A 60 8.443 -3.002 15.756 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.386 -5.129 14.052 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.708 -5.136 15.774 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.163 -4.942 13.227 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.923 -4.208 17.354 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.749 -4.933 13.666 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.507 -4.202 17.798 1.00 0.00 H new ATOM 0 HH TYR A 60 1.472 -4.402 16.959 1.00 0.00 H new ATOM 827 N PRO A 61 9.761 -4.030 13.574 1.00 0.00 N ATOM 828 CA PRO A 61 10.700 -4.078 12.459 1.00 0.00 C ATOM 829 C PRO A 61 10.194 -4.949 11.313 1.00 0.00 C ATOM 830 O PRO A 61 9.203 -5.665 11.455 1.00 0.00 O ATOM 831 CB PRO A 61 11.934 -4.703 13.099 1.00 0.00 C ATOM 832 CG PRO A 61 11.387 -5.642 14.122 1.00 0.00 C ATOM 833 CD PRO A 61 10.069 -5.062 14.584 1.00 0.00 C ATOM 0 HA PRO A 61 10.871 -3.099 12.012 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.541 -5.228 12.362 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.572 -3.946 13.555 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.245 -6.636 13.698 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.078 -5.748 14.959 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.291 -5.824 14.627 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.150 -4.632 15.582 1.00 0.00 H new ATOM 841 N CYS A 62 10.885 -4.886 10.178 1.00 0.00 N ATOM 842 CA CYS A 62 10.512 -5.674 9.010 1.00 0.00 C ATOM 843 C CYS A 62 10.902 -7.136 9.199 1.00 0.00 C ATOM 844 O CYS A 62 11.666 -7.471 10.104 1.00 0.00 O ATOM 845 CB CYS A 62 11.189 -5.114 7.756 1.00 0.00 C ATOM 846 SG CYS A 62 10.506 -3.526 7.179 1.00 0.00 S ATOM 0 H CYS A 62 11.707 -4.297 10.044 1.00 0.00 H new ATOM 0 HA CYS A 62 9.430 -5.615 8.889 1.00 0.00 H new ATOM 0 HB2 CYS A 62 12.253 -4.987 7.958 1.00 0.00 H new ATOM 0 HB3 CYS A 62 11.103 -5.846 6.953 1.00 0.00 H new ATOM 851 N CYS A 63 10.378 -8.002 8.339 1.00 0.00 N ATOM 852 CA CYS A 63 10.675 -9.426 8.413 1.00 0.00 C ATOM 853 C CYS A 63 11.682 -9.816 7.335 1.00 0.00 C ATOM 854 O CYS A 63 12.856 -10.017 7.630 1.00 0.00 O ATOM 855 CB CYS A 63 9.387 -10.241 8.261 1.00 0.00 C ATOM 856 SG CYS A 63 8.957 -11.269 9.708 1.00 0.00 S ATOM 0 H CYS A 63 9.745 -7.742 7.582 1.00 0.00 H new ATOM 0 HA CYS A 63 11.113 -9.642 9.388 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.562 -9.557 8.061 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.484 -10.888 7.389 1.00 0.00 H new ATOM 861 N ASN A 64 11.193 -9.903 6.093 1.00 0.00 N ATOM 862 CA ASN A 64 11.999 -10.256 4.906 1.00 0.00 C ATOM 863 C ASN A 64 11.464 -11.517 4.227 1.00 0.00 C ATOM 864 O ASN A 64 12.107 -12.066 3.333 1.00 0.00 O ATOM 865 CB ASN A 64 13.496 -10.441 5.232 1.00 0.00 C ATOM 866 CG ASN A 64 13.822 -11.799 5.840 1.00 0.00 C ATOM 867 OD1 ASN A 64 14.053 -11.919 7.043 1.00 0.00 O ATOM 868 ND2 ASN A 64 13.852 -12.831 5.004 1.00 0.00 N ATOM 0 H ASN A 64 10.212 -9.729 5.875 1.00 0.00 H new ATOM 0 HA ASN A 64 11.910 -9.411 4.223 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.077 -10.312 4.319 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.809 -9.658 5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.072 -13.764 5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.655 -12.691 4.013 1.00 0.00 H new ATOM 875 N THR A 65 10.289 -11.973 4.650 1.00 0.00 N ATOM 876 CA THR A 65 9.688 -13.167 4.075 1.00 0.00 C ATOM 877 C THR A 65 8.264 -12.896 3.604 1.00 0.00 C ATOM 878 O THR A 65 7.535 -12.119 4.219 1.00 0.00 O ATOM 879 CB THR A 65 9.681 -14.293 5.108 1.00 0.00 C ATOM 880 OG1 THR A 65 9.077 -15.459 4.578 1.00 0.00 O ATOM 881 CG2 THR A 65 8.941 -13.929 6.379 1.00 0.00 C ATOM 0 H THR A 65 9.737 -11.534 5.387 1.00 0.00 H new ATOM 0 HA THR A 65 10.284 -13.463 3.212 1.00 0.00 H new ATOM 0 HB THR A 65 10.729 -14.470 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.357 -16.239 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.972 -14.770 7.072 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.414 -13.062 6.840 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.904 -13.693 6.141 1.00 0.00 H new ATOM 889 N CYS A 66 7.868 -13.560 2.522 1.00 0.00 N ATOM 890 CA CYS A 66 6.521 -13.409 1.982 1.00 0.00 C ATOM 891 C CYS A 66 5.563 -14.386 2.673 1.00 0.00 C ATOM 892 O CYS A 66 4.398 -14.511 2.299 1.00 0.00 O ATOM 893 CB CYS A 66 6.526 -13.638 0.465 1.00 0.00 C ATOM 894 SG CYS A 66 4.874 -13.647 -0.307 1.00 0.00 S ATOM 0 H CYS A 66 8.461 -14.207 2.002 1.00 0.00 H new ATOM 0 HA CYS A 66 6.177 -12.393 2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.128 -12.860 -0.005 1.00 0.00 H new ATOM 0 HB3 CYS A 66 7.015 -14.589 0.256 1.00 0.00 H new ATOM 899 N GLN A 67 6.066 -15.066 3.699 1.00 0.00 N ATOM 900 CA GLN A 67 5.269 -16.018 4.455 1.00 0.00 C ATOM 901 C GLN A 67 4.533 -15.293 5.575 1.00 0.00 C ATOM 902 O GLN A 67 5.058 -15.132 6.674 1.00 0.00 O ATOM 903 CB GLN A 67 6.175 -17.128 5.013 1.00 0.00 C ATOM 904 CG GLN A 67 5.642 -17.827 6.259 1.00 0.00 C ATOM 905 CD GLN A 67 6.515 -17.594 7.480 1.00 0.00 C ATOM 906 OE1 GLN A 67 6.710 -18.494 8.296 1.00 0.00 O ATOM 907 NE2 GLN A 67 7.048 -16.383 7.611 1.00 0.00 N ATOM 0 H GLN A 67 7.028 -14.972 4.025 1.00 0.00 H new ATOM 0 HA GLN A 67 4.529 -16.480 3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.332 -17.875 4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.150 -16.699 5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.632 -17.472 6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.570 -18.898 6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.861 -15.665 6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.644 -16.172 8.411 1.00 0.00 H new ATOM 916 N ALA A 68 3.317 -14.854 5.284 1.00 0.00 N ATOM 917 CA ALA A 68 2.509 -14.141 6.255 1.00 0.00 C ATOM 918 C ALA A 68 1.604 -15.093 7.012 1.00 0.00 C ATOM 919 O ALA A 68 0.475 -15.365 6.602 1.00 0.00 O ATOM 920 CB ALA A 68 1.692 -13.062 5.575 1.00 0.00 C ATOM 0 H ALA A 68 2.869 -14.982 4.377 1.00 0.00 H new ATOM 0 HA ALA A 68 3.180 -13.669 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.092 -12.537 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.360 -12.355 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.035 -13.516 4.833 1.00 0.00 H new ATOM 926 N THR A 69 2.116 -15.594 8.118 1.00 0.00 N ATOM 927 CA THR A 69 1.375 -16.524 8.956 1.00 0.00 C ATOM 928 C THR A 69 0.080 -15.896 9.463 1.00 0.00 C ATOM 929 O THR A 69 -0.864 -16.605 9.812 1.00 0.00 O ATOM 930 CB THR A 69 2.238 -16.984 10.136 1.00 0.00 C ATOM 931 OG1 THR A 69 1.435 -17.319 11.255 1.00 0.00 O ATOM 932 CG2 THR A 69 3.236 -15.941 10.581 1.00 0.00 C ATOM 0 H THR A 69 3.050 -15.372 8.462 1.00 0.00 H new ATOM 0 HA THR A 69 1.116 -17.391 8.348 1.00 0.00 H new ATOM 0 HB THR A 69 2.781 -17.857 9.773 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.009 -17.611 11.994 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.816 -16.327 11.419 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.906 -15.703 9.755 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.707 -15.040 10.890 1.00 0.00 H new ATOM 940 N TYR A 70 0.033 -14.565 9.508 1.00 0.00 N ATOM 941 CA TYR A 70 -1.157 -13.874 9.981 1.00 0.00 C ATOM 942 C TYR A 70 -1.287 -12.491 9.350 1.00 0.00 C ATOM 943 O TYR A 70 -0.298 -11.784 9.169 1.00 0.00 O ATOM 944 CB TYR A 70 -1.133 -13.777 11.514 1.00 0.00 C ATOM 945 CG TYR A 70 -0.563 -12.484 12.064 1.00 0.00 C ATOM 946 CD1 TYR A 70 0.672 -12.463 12.697 1.00 0.00 C ATOM 947 CD2 TYR A 70 -1.265 -11.289 11.958 1.00 0.00 C ATOM 948 CE1 TYR A 70 1.192 -11.289 13.210 1.00 0.00 C ATOM 949 CE2 TYR A 70 -0.752 -10.111 12.464 1.00 0.00 C ATOM 950 CZ TYR A 70 0.476 -10.116 13.090 1.00 0.00 C ATOM 951 OH TYR A 70 0.991 -8.946 13.598 1.00 0.00 O ATOM 0 H TYR A 70 0.798 -13.953 9.225 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.030 -14.452 9.678 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.150 -13.896 11.887 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.550 -14.610 11.907 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.236 -13.379 12.790 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.229 -11.282 11.471 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.153 -11.290 13.702 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.310 -9.191 12.370 1.00 0.00 H new ATOM 0 HH TYR A 70 1.251 -8.356 12.860 1.00 0.00 H new ATOM 961 N THR A 71 -2.519 -12.110 9.036 1.00 0.00 N ATOM 962 CA THR A 71 -2.793 -10.807 8.445 1.00 0.00 C ATOM 963 C THR A 71 -3.736 -10.014 9.338 1.00 0.00 C ATOM 964 O THR A 71 -4.716 -10.551 9.855 1.00 0.00 O ATOM 965 CB THR A 71 -3.399 -10.964 7.049 1.00 0.00 C ATOM 966 OG1 THR A 71 -2.479 -11.589 6.171 1.00 0.00 O ATOM 967 CG2 THR A 71 -3.809 -9.646 6.423 1.00 0.00 C ATOM 0 H THR A 71 -3.347 -12.688 9.182 1.00 0.00 H new ATOM 0 HA THR A 71 -1.851 -10.266 8.354 1.00 0.00 H new ATOM 0 HB THR A 71 -4.291 -11.575 7.187 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.885 -11.682 5.284 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.231 -9.828 5.435 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.555 -9.161 7.052 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.936 -9.000 6.331 1.00 0.00 H new ATOM 975 N ASP A 72 -3.434 -8.737 9.519 1.00 0.00 N ATOM 976 CA ASP A 72 -4.256 -7.874 10.354 1.00 0.00 C ATOM 977 C ASP A 72 -4.809 -6.703 9.551 1.00 0.00 C ATOM 978 O ASP A 72 -4.760 -6.701 8.321 1.00 0.00 O ATOM 979 CB ASP A 72 -3.446 -7.362 11.548 1.00 0.00 C ATOM 980 CG ASP A 72 -4.097 -7.701 12.876 1.00 0.00 C ATOM 981 OD1 ASP A 72 -4.531 -8.860 13.045 1.00 0.00 O ATOM 982 OD2 ASP A 72 -4.170 -6.809 13.747 1.00 0.00 O ATOM 0 H ASP A 72 -2.627 -8.276 9.099 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.097 -8.461 10.723 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.445 -7.793 11.516 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.330 -6.281 11.469 1.00 0.00 H new ATOM 987 N GLY A 73 -5.340 -5.712 10.258 1.00 0.00 N ATOM 988 CA GLY A 73 -5.899 -4.549 9.600 1.00 0.00 C ATOM 989 C GLY A 73 -4.847 -3.650 8.973 1.00 0.00 C ATOM 990 O GLY A 73 -5.180 -2.609 8.407 1.00 0.00 O ATOM 0 H GLY A 73 -5.393 -5.695 11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.594 -4.877 8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.475 -3.972 10.324 1.00 0.00 H new ATOM 994 N ASP A 74 -3.575 -4.043 9.063 1.00 0.00 N ATOM 995 CA ASP A 74 -2.499 -3.245 8.489 1.00 0.00 C ATOM 996 C ASP A 74 -1.745 -4.029 7.416 1.00 0.00 C ATOM 997 O ASP A 74 -0.698 -3.593 6.938 1.00 0.00 O ATOM 998 CB ASP A 74 -1.533 -2.789 9.583 1.00 0.00 C ATOM 999 CG ASP A 74 -1.736 -1.336 9.965 1.00 0.00 C ATOM 1000 OD1 ASP A 74 -2.888 -0.859 9.893 1.00 0.00 O ATOM 1001 OD2 ASP A 74 -0.743 -0.675 10.337 1.00 0.00 O ATOM 0 H ASP A 74 -3.270 -4.901 9.524 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.944 -2.367 8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.665 -3.416 10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.508 -2.932 9.241 1.00 0.00 H new ATOM 1006 N GLY A 75 -2.283 -5.188 7.040 1.00 0.00 N ATOM 1007 CA GLY A 75 -1.645 -6.006 6.028 1.00 0.00 C ATOM 1008 C GLY A 75 -1.321 -7.393 6.537 1.00 0.00 C ATOM 1009 O GLY A 75 -1.973 -7.893 7.454 1.00 0.00 O ATOM 0 H GLY A 75 -3.148 -5.572 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.299 -6.083 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.728 -5.520 5.695 1.00 0.00 H new ATOM 1013 N ASP A 76 -0.308 -8.014 5.948 1.00 0.00 N ATOM 1014 CA ASP A 76 0.103 -9.353 6.352 1.00 0.00 C ATOM 1015 C ASP A 76 1.177 -9.273 7.433 1.00 0.00 C ATOM 1016 O ASP A 76 1.712 -8.199 7.707 1.00 0.00 O ATOM 1017 CB ASP A 76 0.616 -10.155 5.149 1.00 0.00 C ATOM 1018 CG ASP A 76 0.221 -9.547 3.814 1.00 0.00 C ATOM 1019 OD1 ASP A 76 -0.686 -10.100 3.155 1.00 0.00 O ATOM 1020 OD2 ASP A 76 0.818 -8.520 3.429 1.00 0.00 O ATOM 0 H ASP A 76 0.244 -7.613 5.190 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.767 -9.869 6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.703 -10.224 5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.229 -11.172 5.207 1.00 0.00 H new ATOM 1025 N TRP A 77 1.481 -10.408 8.055 1.00 0.00 N ATOM 1026 CA TRP A 77 2.483 -10.445 9.114 1.00 0.00 C ATOM 1027 C TRP A 77 3.105 -11.828 9.249 1.00 0.00 C ATOM 1028 O TRP A 77 2.506 -12.833 8.869 1.00 0.00 O ATOM 1029 CB TRP A 77 1.854 -10.030 10.445 1.00 0.00 C ATOM 1030 CG TRP A 77 1.126 -8.721 10.380 1.00 0.00 C ATOM 1031 CD1 TRP A 77 -0.174 -8.517 10.005 1.00 0.00 C ATOM 1032 CD2 TRP A 77 1.654 -7.433 10.704 1.00 0.00 C ATOM 1033 NE1 TRP A 77 -0.481 -7.183 10.077 1.00 0.00 N ATOM 1034 CE2 TRP A 77 0.622 -6.496 10.504 1.00 0.00 C ATOM 1035 CE3 TRP A 77 2.899 -6.977 11.146 1.00 0.00 C ATOM 1036 CZ2 TRP A 77 0.798 -5.137 10.728 1.00 0.00 C ATOM 1037 CZ3 TRP A 77 3.071 -5.626 11.368 1.00 0.00 C ATOM 1038 CH2 TRP A 77 2.024 -4.719 11.161 1.00 0.00 C ATOM 0 H TRP A 77 1.051 -11.309 7.846 1.00 0.00 H new ATOM 0 HA TRP A 77 3.274 -9.744 8.847 1.00 0.00 H new ATOM 0 HB2 TRP A 77 1.161 -10.807 10.768 1.00 0.00 H new ATOM 0 HB3 TRP A 77 2.635 -9.965 11.202 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -0.858 -9.294 9.697 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -1.385 -6.770 9.849 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.711 -7.669 11.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.007 -4.435 10.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 4.029 -5.262 11.707 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.189 -3.668 11.347 1.00 0.00 H new ATOM 1049 N ALA A 78 4.317 -11.868 9.798 1.00 0.00 N ATOM 1050 CA ALA A 78 5.029 -13.123 9.986 1.00 0.00 C ATOM 1051 C ALA A 78 5.978 -13.059 11.176 1.00 0.00 C ATOM 1052 O ALA A 78 6.432 -11.985 11.567 1.00 0.00 O ATOM 1053 CB ALA A 78 5.801 -13.478 8.729 1.00 0.00 C ATOM 0 H ALA A 78 4.824 -11.043 10.120 1.00 0.00 H new ATOM 0 HA ALA A 78 4.288 -13.896 10.190 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.330 -14.419 8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.108 -13.582 7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.520 -12.689 8.508 1.00 0.00 H new ATOM 1059 N PHE A 79 6.287 -14.225 11.735 1.00 0.00 N ATOM 1060 CA PHE A 79 7.199 -14.311 12.867 1.00 0.00 C ATOM 1061 C PHE A 79 8.579 -14.746 12.389 1.00 0.00 C ATOM 1062 O PHE A 79 8.786 -15.903 12.026 1.00 0.00 O ATOM 1063 CB PHE A 79 6.669 -15.299 13.908 1.00 0.00 C ATOM 1064 CG PHE A 79 7.265 -15.108 15.274 1.00 0.00 C ATOM 1065 CD1 PHE A 79 7.210 -13.874 15.900 1.00 0.00 C ATOM 1066 CD2 PHE A 79 7.878 -16.163 15.930 1.00 0.00 C ATOM 1067 CE1 PHE A 79 7.757 -13.695 17.157 1.00 0.00 C ATOM 1068 CE2 PHE A 79 8.426 -15.991 17.186 1.00 0.00 C ATOM 1069 CZ PHE A 79 8.366 -14.755 17.801 1.00 0.00 C ATOM 0 H PHE A 79 5.918 -15.123 11.421 1.00 0.00 H new ATOM 0 HA PHE A 79 7.275 -13.327 13.330 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.586 -15.197 13.975 1.00 0.00 H new ATOM 0 HB3 PHE A 79 6.873 -16.315 13.570 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.735 -13.043 15.401 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.928 -17.131 15.454 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.708 -12.728 17.635 1.00 0.00 H new ATOM 0 HE2 PHE A 79 8.901 -16.822 17.687 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.794 -14.618 18.783 1.00 0.00 H new ATOM 1079 N GLU A 80 9.517 -13.807 12.375 1.00 0.00 N ATOM 1080 CA GLU A 80 10.874 -14.091 11.925 1.00 0.00 C ATOM 1081 C GLU A 80 11.901 -13.679 12.973 1.00 0.00 C ATOM 1082 O GLU A 80 11.744 -12.658 13.643 1.00 0.00 O ATOM 1083 CB GLU A 80 11.147 -13.361 10.610 1.00 0.00 C ATOM 1084 CG GLU A 80 12.445 -13.768 9.940 1.00 0.00 C ATOM 1085 CD GLU A 80 12.568 -15.270 9.766 1.00 0.00 C ATOM 1086 OE1 GLU A 80 13.711 -15.773 9.736 1.00 0.00 O ATOM 1087 OE2 GLU A 80 11.521 -15.942 9.659 1.00 0.00 O ATOM 0 H GLU A 80 9.363 -12.843 12.670 1.00 0.00 H new ATOM 0 HA GLU A 80 10.964 -15.166 11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.321 -13.548 9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.168 -12.288 10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.512 -13.287 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.285 -13.405 10.533 1.00 0.00 H new ATOM 1094 N ASN A 81 12.952 -14.483 13.111 1.00 0.00 N ATOM 1095 CA ASN A 81 14.008 -14.207 14.080 1.00 0.00 C ATOM 1096 C ASN A 81 13.421 -13.928 15.461 1.00 0.00 C ATOM 1097 O ASN A 81 14.012 -13.206 16.264 1.00 0.00 O ATOM 1098 CB ASN A 81 14.850 -13.015 13.621 1.00 0.00 C ATOM 1099 CG ASN A 81 16.030 -13.435 12.767 1.00 0.00 C ATOM 1100 OD1 ASN A 81 17.154 -12.979 12.974 1.00 0.00 O ATOM 1101 ND2 ASN A 81 15.779 -14.310 11.800 1.00 0.00 N ATOM 0 H ASN A 81 13.095 -15.332 12.563 1.00 0.00 H new ATOM 0 HA ASN A 81 14.645 -15.089 14.147 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.222 -12.327 13.055 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.212 -12.472 14.494 1.00 0.00 H new ATOM 0 HD21 ASN A 81 16.534 -14.630 11.193 1.00 0.00 H new ATOM 0 HD22 ASN A 81 14.831 -14.662 11.664 1.00 0.00 H new ATOM 1108 N GLY A 82 12.252 -14.502 15.726 1.00 0.00 N ATOM 1109 CA GLY A 82 11.602 -14.301 17.006 1.00 0.00 C ATOM 1110 C GLY A 82 11.142 -12.870 17.204 1.00 0.00 C ATOM 1111 O GLY A 82 10.992 -12.410 18.336 1.00 0.00 O ATOM 0 H GLY A 82 11.744 -15.103 15.077 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.744 -14.969 17.083 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.291 -14.572 17.806 1.00 0.00 H new ATOM 1115 N ASN A 83 10.919 -12.161 16.099 1.00 0.00 N ATOM 1116 CA ASN A 83 10.475 -10.774 16.163 1.00 0.00 C ATOM 1117 C ASN A 83 9.235 -10.559 15.301 1.00 0.00 C ATOM 1118 O ASN A 83 9.219 -10.910 14.121 1.00 0.00 O ATOM 1119 CB ASN A 83 11.595 -9.836 15.705 1.00 0.00 C ATOM 1120 CG ASN A 83 12.925 -10.164 16.355 1.00 0.00 C ATOM 1121 OD1 ASN A 83 13.122 -9.929 17.548 1.00 0.00 O ATOM 1122 ND2 ASN A 83 13.846 -10.712 15.571 1.00 0.00 N ATOM 0 H ASN A 83 11.038 -12.524 15.153 1.00 0.00 H new ATOM 0 HA ASN A 83 10.220 -10.548 17.199 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.698 -9.899 14.622 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.323 -8.807 15.940 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.760 -10.956 15.952 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.639 -10.889 14.588 1.00 0.00 H new ATOM 1129 N TRP A 84 8.200 -9.977 15.896 1.00 0.00 N ATOM 1130 CA TRP A 84 6.957 -9.712 15.182 1.00 0.00 C ATOM 1131 C TRP A 84 7.168 -8.652 14.107 1.00 0.00 C ATOM 1132 O TRP A 84 7.079 -7.453 14.375 1.00 0.00 O ATOM 1133 CB TRP A 84 5.868 -9.261 16.155 1.00 0.00 C ATOM 1134 CG TRP A 84 5.106 -10.399 16.761 1.00 0.00 C ATOM 1135 CD1 TRP A 84 4.830 -10.590 18.085 1.00 0.00 C ATOM 1136 CD2 TRP A 84 4.521 -11.506 16.066 1.00 0.00 C ATOM 1137 NE1 TRP A 84 4.110 -11.747 18.256 1.00 0.00 N ATOM 1138 CE2 TRP A 84 3.908 -12.327 17.031 1.00 0.00 C ATOM 1139 CE3 TRP A 84 4.455 -11.882 14.722 1.00 0.00 C ATOM 1140 CZ2 TRP A 84 3.238 -13.501 16.693 1.00 0.00 C ATOM 1141 CZ3 TRP A 84 3.791 -13.048 14.388 1.00 0.00 C ATOM 1142 CH2 TRP A 84 3.191 -13.845 15.370 1.00 0.00 C ATOM 0 H TRP A 84 8.197 -9.680 16.872 1.00 0.00 H new ATOM 0 HA TRP A 84 6.638 -10.637 14.700 1.00 0.00 H new ATOM 0 HB2 TRP A 84 6.323 -8.673 16.952 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.172 -8.605 15.632 1.00 0.00 H new ATOM 0 HD1 TRP A 84 5.134 -9.927 18.882 1.00 0.00 H new ATOM 0 HE1 TRP A 84 3.780 -12.114 19.148 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.914 -11.273 13.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.773 -14.117 17.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 3.734 -13.349 13.352 1.00 0.00 H new ATOM 0 HH2 TRP A 84 2.680 -14.750 15.077 1.00 0.00 H new ATOM 1153 N CYS A 85 7.447 -9.104 12.890 1.00 0.00 N ATOM 1154 CA CYS A 85 7.670 -8.195 11.769 1.00 0.00 C ATOM 1155 C CYS A 85 6.505 -8.252 10.789 1.00 0.00 C ATOM 1156 O CYS A 85 5.609 -9.085 10.924 1.00 0.00 O ATOM 1157 CB CYS A 85 8.980 -8.526 11.036 1.00 0.00 C ATOM 1158 SG CYS A 85 9.619 -10.212 11.314 1.00 0.00 S ATOM 0 H CYS A 85 7.524 -10.093 12.653 1.00 0.00 H new ATOM 0 HA CYS A 85 7.745 -7.186 12.175 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.825 -8.385 9.966 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.742 -7.810 11.345 1.00 0.00 H new ATOM 1163 N GLY A 86 6.527 -7.366 9.799 1.00 0.00 N ATOM 1164 CA GLY A 86 5.468 -7.341 8.810 1.00 0.00 C ATOM 1165 C GLY A 86 5.972 -7.706 7.427 1.00 0.00 C ATOM 1166 O GLY A 86 7.015 -7.219 6.992 1.00 0.00 O ATOM 0 H GLY A 86 7.258 -6.667 9.665 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.681 -8.036 9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.021 -6.347 8.782 1.00 0.00 H new ATOM 1170 N ILE A 87 5.233 -8.569 6.736 1.00 0.00 N ATOM 1171 CA ILE A 87 5.615 -9.007 5.396 1.00 0.00 C ATOM 1172 C ILE A 87 5.942 -7.817 4.500 1.00 0.00 C ATOM 1173 O ILE A 87 5.180 -6.854 4.414 1.00 0.00 O ATOM 1174 CB ILE A 87 4.495 -9.877 4.756 1.00 0.00 C ATOM 1175 CG1 ILE A 87 4.813 -11.374 4.873 1.00 0.00 C ATOM 1176 CG2 ILE A 87 4.275 -9.521 3.291 1.00 0.00 C ATOM 1177 CD1 ILE A 87 5.588 -11.763 6.112 1.00 0.00 C ATOM 0 H ILE A 87 4.366 -8.979 7.082 1.00 0.00 H new ATOM 0 HA ILE A 87 6.513 -9.617 5.491 1.00 0.00 H new ATOM 0 HB ILE A 87 3.581 -9.664 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.877 -11.932 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.382 -11.680 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.486 -10.149 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.984 -8.474 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.198 -9.685 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.766 -12.838 6.107 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.543 -11.238 6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.015 -11.494 6.999 1.00 0.00 H new ATOM 1189 N LYS A 88 7.088 -7.901 3.833 1.00 0.00 N ATOM 1190 CA LYS A 88 7.533 -6.843 2.937 1.00 0.00 C ATOM 1191 C LYS A 88 6.711 -6.848 1.658 1.00 0.00 C ATOM 1192 O LYS A 88 6.130 -7.868 1.288 1.00 0.00 O ATOM 1193 CB LYS A 88 9.018 -7.014 2.600 1.00 0.00 C ATOM 1194 CG LYS A 88 9.874 -7.473 3.773 1.00 0.00 C ATOM 1195 CD LYS A 88 10.753 -6.349 4.297 1.00 0.00 C ATOM 1196 CE LYS A 88 12.133 -6.856 4.682 1.00 0.00 C ATOM 1197 NZ LYS A 88 12.907 -7.319 3.496 1.00 0.00 N ATOM 0 H LYS A 88 7.726 -8.694 3.897 1.00 0.00 H new ATOM 0 HA LYS A 88 7.394 -5.888 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.115 -7.736 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.407 -6.065 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.230 -7.836 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.499 -8.310 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.848 -5.575 3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.279 -5.888 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.683 -6.062 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.033 -7.676 5.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.418 -8.193 3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.255 -7.503 2.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.589 -6.584 3.218 1.00 0.00 H new ATOM 1211 N ASN A 89 6.673 -5.709 0.977 1.00 0.00 N ATOM 1212 CA ASN A 89 5.927 -5.599 -0.268 1.00 0.00 C ATOM 1213 C ASN A 89 6.448 -6.611 -1.294 1.00 0.00 C ATOM 1214 O ASN A 89 5.761 -6.954 -2.251 1.00 0.00 O ATOM 1215 CB ASN A 89 5.990 -4.154 -0.795 1.00 0.00 C ATOM 1216 CG ASN A 89 7.266 -3.828 -1.550 1.00 0.00 C ATOM 1217 OD1 ASN A 89 7.867 -4.688 -2.191 1.00 0.00 O ATOM 1218 ND2 ASN A 89 7.678 -2.569 -1.479 1.00 0.00 N ATOM 0 H ASN A 89 7.148 -4.853 1.265 1.00 0.00 H new ATOM 0 HA ASN A 89 4.879 -5.837 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.137 -3.980 -1.451 1.00 0.00 H new ATOM 0 HB3 ASN A 89 5.891 -3.467 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.525 -2.281 -1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.147 -1.889 -0.935 1.00 0.00 H new ATOM 1225 N SER A 90 7.658 -7.116 -1.070 1.00 0.00 N ATOM 1226 CA SER A 90 8.241 -8.111 -1.965 1.00 0.00 C ATOM 1227 C SER A 90 7.454 -9.424 -1.918 1.00 0.00 C ATOM 1228 O SER A 90 7.811 -10.394 -2.586 1.00 0.00 O ATOM 1229 CB SER A 90 9.701 -8.362 -1.591 1.00 0.00 C ATOM 1230 OG SER A 90 10.571 -7.540 -2.351 1.00 0.00 O ATOM 0 H SER A 90 8.251 -6.855 -0.282 1.00 0.00 H new ATOM 0 HA SER A 90 8.193 -7.722 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 90 9.846 -8.166 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.948 -9.410 -1.759 1.00 0.00 H new ATOM 0 HG SER A 90 10.055 -6.826 -2.780 1.00 0.00 H new ATOM 1236 N CYS A 91 6.378 -9.444 -1.138 1.00 0.00 N ATOM 1237 CA CYS A 91 5.535 -10.625 -1.020 1.00 0.00 C ATOM 1238 C CYS A 91 4.420 -10.604 -2.065 1.00 0.00 C ATOM 1239 O CYS A 91 3.528 -11.451 -2.054 1.00 0.00 O ATOM 1240 CB CYS A 91 4.933 -10.703 0.385 1.00 0.00 C ATOM 1241 SG CYS A 91 3.889 -12.168 0.672 1.00 0.00 S ATOM 0 H CYS A 91 6.069 -8.651 -0.576 1.00 0.00 H new ATOM 0 HA CYS A 91 6.154 -11.505 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.742 -10.699 1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.339 -9.807 0.563 1.00 0.00 H new ATOM 1246 N LYS A 92 4.472 -9.628 -2.967 1.00 0.00 N ATOM 1247 CA LYS A 92 3.458 -9.506 -4.006 1.00 0.00 C ATOM 1248 C LYS A 92 4.040 -8.939 -5.300 1.00 0.00 C ATOM 1249 O LYS A 92 3.779 -7.798 -5.671 1.00 0.00 O ATOM 1250 CB LYS A 92 2.293 -8.643 -3.515 1.00 0.00 C ATOM 1251 CG LYS A 92 2.712 -7.434 -2.695 1.00 0.00 C ATOM 1252 CD LYS A 92 2.846 -6.189 -3.554 1.00 0.00 C ATOM 1253 CE LYS A 92 3.988 -5.323 -3.083 1.00 0.00 C ATOM 1254 NZ LYS A 92 3.702 -3.875 -3.262 1.00 0.00 N ATOM 0 H LYS A 92 5.201 -8.915 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 92 3.087 -10.507 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.720 -8.302 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.626 -9.261 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.978 -7.256 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.663 -7.640 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.008 -6.476 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.917 -5.620 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.186 -5.526 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.892 -5.584 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.551 -3.395 -3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.923 -3.756 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.432 -3.459 -2.348 1.00 0.00 H new ATOM 1268 N GLN A 93 4.831 -9.753 -5.982 1.00 0.00 N ATOM 1269 CA GLN A 93 5.457 -9.354 -7.237 1.00 0.00 C ATOM 1270 C GLN A 93 4.464 -9.431 -8.398 1.00 0.00 C ATOM 1271 O GLN A 93 4.760 -8.982 -9.506 1.00 0.00 O ATOM 1272 CB GLN A 93 6.673 -10.248 -7.522 1.00 0.00 C ATOM 1273 CG GLN A 93 6.383 -11.422 -8.448 1.00 0.00 C ATOM 1274 CD GLN A 93 5.288 -12.327 -7.919 1.00 0.00 C ATOM 1275 OE1 GLN A 93 4.352 -12.672 -8.638 1.00 0.00 O ATOM 1276 NE2 GLN A 93 5.401 -12.715 -6.654 1.00 0.00 N ATOM 0 H GLN A 93 5.057 -10.702 -5.686 1.00 0.00 H new ATOM 0 HA GLN A 93 5.785 -8.319 -7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.462 -9.639 -7.963 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.057 -10.632 -6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.094 -11.043 -9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.294 -12.004 -8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.195 -12.404 -6.094 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.694 -13.324 -6.242 1.00 0.00 H new ATOM 1285 N GLN A 94 3.286 -9.992 -8.142 1.00 0.00 N ATOM 1286 CA GLN A 94 2.263 -10.109 -9.173 1.00 0.00 C ATOM 1287 C GLN A 94 1.868 -8.734 -9.703 1.00 0.00 C ATOM 1288 O GLN A 94 1.918 -8.489 -10.909 1.00 0.00 O ATOM 1289 CB GLN A 94 1.033 -10.843 -8.632 1.00 0.00 C ATOM 1290 CG GLN A 94 1.361 -12.160 -7.949 1.00 0.00 C ATOM 1291 CD GLN A 94 1.106 -13.360 -8.841 1.00 0.00 C ATOM 1292 OE1 GLN A 94 -0.024 -13.835 -8.953 1.00 0.00 O ATOM 1293 NE2 GLN A 94 2.158 -13.857 -9.481 1.00 0.00 N ATOM 0 H GLN A 94 3.018 -10.371 -7.234 1.00 0.00 H new ATOM 0 HA GLN A 94 2.679 -10.689 -9.997 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.516 -10.195 -7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.342 -11.032 -9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.407 -12.155 -7.643 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.764 -12.253 -7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.077 -13.432 -9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.047 -14.664 -10.095 1.00 0.00 H new ATOM 1302 N PRO A 95 1.476 -7.807 -8.810 1.00 0.00 N ATOM 1303 CA PRO A 95 1.082 -6.450 -9.204 1.00 0.00 C ATOM 1304 C PRO A 95 2.181 -5.732 -9.979 1.00 0.00 C ATOM 1305 O PRO A 95 1.920 -5.106 -11.005 1.00 0.00 O ATOM 1306 CB PRO A 95 0.815 -5.746 -7.867 1.00 0.00 C ATOM 1307 CG PRO A 95 1.499 -6.592 -6.848 1.00 0.00 C ATOM 1308 CD PRO A 95 1.387 -7.994 -7.354 1.00 0.00 C ATOM 0 HA PRO A 95 0.220 -6.455 -9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.211 -4.731 -7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.254 -5.671 -7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.542 -6.299 -6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.027 -6.488 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.188 -8.629 -6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.446 -8.459 -7.060 1.00 0.00 H new ATOM 1316 N GLN A 96 3.410 -5.830 -9.485 1.00 0.00 N ATOM 1317 CA GLN A 96 4.545 -5.190 -10.141 1.00 0.00 C ATOM 1318 C GLN A 96 5.747 -6.126 -10.192 1.00 0.00 C ATOM 1319 O GLN A 96 6.274 -6.535 -9.158 1.00 0.00 O ATOM 1320 CB GLN A 96 4.919 -3.895 -9.417 1.00 0.00 C ATOM 1321 CG GLN A 96 3.999 -2.729 -9.746 1.00 0.00 C ATOM 1322 CD GLN A 96 3.291 -2.175 -8.524 1.00 0.00 C ATOM 1323 OE1 GLN A 96 3.142 -0.962 -8.376 1.00 0.00 O ATOM 1324 NE2 GLN A 96 2.851 -3.064 -7.640 1.00 0.00 N ATOM 0 H GLN A 96 3.646 -6.344 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 96 4.252 -4.953 -11.164 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.900 -4.071 -8.341 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.942 -3.625 -9.677 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.580 -1.935 -10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.256 -3.053 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.996 -4.060 -7.803 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.368 -2.750 -6.798 1.00 0.00 H new ATOM 1333 N ASN A 97 6.174 -6.463 -11.405 1.00 0.00 N ATOM 1334 CA ASN A 97 7.314 -7.354 -11.597 1.00 0.00 C ATOM 1335 C ASN A 97 8.095 -6.983 -12.855 1.00 0.00 C ATOM 1336 O ASN A 97 8.727 -7.835 -13.478 1.00 0.00 O ATOM 1337 CB ASN A 97 6.853 -8.814 -11.683 1.00 0.00 C ATOM 1338 CG ASN A 97 5.466 -8.965 -12.286 1.00 0.00 C ATOM 1339 OD1 ASN A 97 4.675 -9.800 -11.848 1.00 0.00 O ATOM 1340 ND2 ASN A 97 5.164 -8.158 -13.298 1.00 0.00 N ATOM 0 H ASN A 97 5.748 -6.132 -12.271 1.00 0.00 H new ATOM 0 HA ASN A 97 7.971 -7.240 -10.735 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.567 -9.380 -12.282 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.858 -9.250 -10.684 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.247 -8.217 -13.742 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.849 -7.479 -13.631 1.00 0.00 H new ATOM 1347 N ASN A 98 8.043 -5.705 -13.224 1.00 0.00 N ATOM 1348 CA ASN A 98 8.743 -5.225 -14.410 1.00 0.00 C ATOM 1349 C ASN A 98 9.731 -4.120 -14.049 1.00 0.00 C ATOM 1350 O ASN A 98 9.662 -3.540 -12.966 1.00 0.00 O ATOM 1351 CB ASN A 98 7.741 -4.710 -15.444 1.00 0.00 C ATOM 1352 CG ASN A 98 8.214 -4.933 -16.868 1.00 0.00 C ATOM 1353 OD1 ASN A 98 9.010 -5.833 -17.135 1.00 0.00 O ATOM 1354 ND2 ASN A 98 7.723 -4.113 -17.789 1.00 0.00 N ATOM 0 H ASN A 98 7.525 -4.986 -12.719 1.00 0.00 H new ATOM 0 HA ASN A 98 9.299 -6.060 -14.836 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.784 -5.211 -15.299 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.571 -3.645 -15.283 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.003 -4.215 -18.764 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.065 -3.381 -17.521 1.00 0.00 H new ATOM 1361 N ASN A 99 10.650 -3.834 -14.967 1.00 0.00 N ATOM 1362 CA ASN A 99 11.654 -2.799 -14.747 1.00 0.00 C ATOM 1363 C ASN A 99 11.513 -1.678 -15.773 1.00 0.00 C ATOM 1364 O ASN A 99 11.628 -1.908 -16.977 1.00 0.00 O ATOM 1365 CB ASN A 99 13.059 -3.398 -14.819 1.00 0.00 C ATOM 1366 CG ASN A 99 14.139 -2.380 -14.510 1.00 0.00 C ATOM 1367 OD1 ASN A 99 14.641 -2.312 -13.389 1.00 0.00 O ATOM 1368 ND2 ASN A 99 14.502 -1.581 -15.508 1.00 0.00 N ATOM 0 H ASN A 99 10.720 -4.304 -15.869 1.00 0.00 H new ATOM 0 HA ASN A 99 11.496 -2.380 -13.753 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.134 -4.227 -14.116 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.225 -3.809 -15.815 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.224 -0.876 -15.360 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.058 -1.673 -16.422 1.00 0.00 H new ATOM 1375 N GLN A 100 11.264 -0.467 -15.288 1.00 0.00 N ATOM 1376 CA GLN A 100 11.108 0.690 -16.163 1.00 0.00 C ATOM 1377 C GLN A 100 9.935 0.494 -17.119 1.00 0.00 C ATOM 1378 O GLN A 100 8.814 0.927 -16.777 1.00 0.00 O ATOM 1379 CB GLN A 100 12.396 0.934 -16.954 1.00 0.00 C ATOM 1380 CG GLN A 100 13.004 2.306 -16.715 1.00 0.00 C ATOM 1381 CD GLN A 100 14.195 2.261 -15.777 1.00 0.00 C ATOM 1382 OE1 GLN A 100 14.509 1.217 -15.206 1.00 0.00 O ATOM 1383 NE2 GLN A 100 14.864 3.396 -15.615 1.00 0.00 N ATOM 1384 OXT GLN A 100 10.147 -0.090 -18.203 1.00 0.00 O ATOM 0 H GLN A 100 11.166 -0.260 -14.294 1.00 0.00 H new ATOM 0 HA GLN A 100 10.903 1.562 -15.541 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.127 0.170 -16.688 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.187 0.818 -18.018 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.313 2.733 -17.669 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.244 2.969 -16.300 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.568 4.238 -16.109 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.675 3.426 -14.997 1.00 0.00 H new TER 1393 GLN A 100