USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1060 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 53 LYS NZ :NH3+ -140:sc= -4.72! (180deg=0) USER MOD Set 1.2: A 107 GLN : amide:sc= -11.3! C(o=-16!,f=-20!) USER MOD Set 2.1: A 94 ASN : amide:sc= -0.653 K(o=-1.7,f=-2.7!) USER MOD Set 2.2: A 102 CYS SG : rot -116:sc= -1.04 USER MOD Set 3.1: A 99 THR OG1 : rot 123:sc= 0.359 USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0.335 USER MOD Set 4.1: A 48 SER OG : rot -40:sc= 1.04 USER MOD Set 4.2: A 49 CYS SG : rot 62:sc= -5.16! USER MOD Set 5.1: A 42 ASN : amide:sc= -4.48! C(o=-11!,f=-12!) USER MOD Set 5.2: A 82 ASN : amide:sc= -6.64! C(o=-11!,f=-12!) USER MOD Set 6.1: A 16 SER OG : rot 180:sc= -2.43! USER MOD Set 6.2: A 19 ASN : amide:sc= -2.35! C(o=-4.8!,f=-1.9!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.884 K(o=-0.88,f=-5.5!) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.155) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -0.0972 (180deg=-0.788) USER MOD Single : A 22 ASN : amide:sc= -5.24! C(o=-5.2!,f=-2.7!) USER MOD Single : A 23 HIS : no HE2:sc= -7.72! C(o=-7.7!,f=-18!) USER MOD Single : A 25 CYS SG : rot 140:sc= -3.53! USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= -3.62! (180deg=-3.83!) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.0984 (180deg=-0.78) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 10:sc= 0.114 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.0955 (180deg=-0.687) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -92:sc= -1.67 USER MOD Single : A 64 LYS NZ :NH3+ 150:sc= -2.48 (180deg=-3.65!) USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= -0.084 (180deg=-0.651) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.541 USER MOD Single : A 70 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.8!) USER MOD Single : A 74 SER OG : rot -145:sc= 0.61 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -117:sc= 0.736 (180deg=-0.108) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0928 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 142:sc= -1.46 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -92:sc= 0.834 USER MOD Single : A 95 MET CE :methyl -167:sc= -1.21 (180deg=-2.27) USER MOD Single : A 108 LYS NZ :NH3+ -151:sc= -3.7! (180deg=-5.09!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -1.88! K(o=-1.9!,f=-0.049) USER MOD Single : A 114 MET CE :methyl -121:sc= -2.46 (180deg=-6.03!) USER MOD Single : A 116 LYS NZ :NH3+ -105:sc= -0.838 (180deg=-3.14!) USER MOD Single : A 118 SER OG : rot -48:sc= -0.285 USER MOD Single : A 119 TYR OH : rot -159:sc= -2.57! USER MOD Single : A 124 LYS NZ :NH3+ 157:sc= -0.0784 (180deg=-0.844) USER MOD Single : A 125 SER OG : rot -170:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -137:sc= -1.6! USER MOD Single : A 133 ASN : amide:sc= -2.74! C(o=-2.7!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -8.928 3.300 -13.649 1.00 17.32 N ATOM 2 CA VAL A 5 -9.551 2.479 -12.561 1.00 16.53 C ATOM 3 C VAL A 5 -11.040 2.818 -12.490 1.00 15.62 C ATOM 4 O VAL A 5 -11.426 3.970 -12.516 1.00 15.21 O ATOM 5 CB VAL A 5 -8.886 2.807 -11.221 1.00 17.91 C ATOM 6 CG1 VAL A 5 -9.418 1.868 -10.136 1.00 18.70 C ATOM 7 CG2 VAL A 5 -7.377 2.617 -11.354 1.00 17.86 C ATOM 0 HA VAL A 5 -9.417 1.418 -12.772 1.00 16.53 H new ATOM 0 HB VAL A 5 -9.110 3.838 -10.947 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -8.942 2.105 -9.184 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -10.497 1.993 -10.043 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -9.194 0.836 -10.406 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -6.896 2.849 -10.404 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -7.163 1.584 -11.627 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -6.993 3.283 -12.127 1.00 17.86 H new ATOM 17 N SER A 6 -11.878 1.824 -12.409 1.00 15.43 N ATOM 18 CA SER A 6 -13.341 2.090 -12.347 1.00 14.66 C ATOM 19 C SER A 6 -13.695 2.687 -10.987 1.00 13.40 C ATOM 20 O SER A 6 -12.955 2.568 -10.031 1.00 12.58 O ATOM 21 CB SER A 6 -14.105 0.781 -12.543 1.00 15.49 C ATOM 22 OG SER A 6 -13.857 -0.077 -11.437 1.00 15.97 O ATOM 0 H SER A 6 -11.613 0.839 -12.383 1.00 15.43 H new ATOM 0 HA SER A 6 -13.615 2.793 -13.134 1.00 14.66 H new ATOM 0 HB2 SER A 6 -15.173 0.980 -12.632 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.792 0.299 -13.469 1.00 15.49 H new ATOM 0 HG SER A 6 -14.347 -0.917 -11.558 1.00 15.97 H new ATOM 28 N GLN A 7 -14.822 3.335 -10.896 1.00 13.37 N ATOM 29 CA GLN A 7 -15.226 3.947 -9.603 1.00 12.23 C ATOM 30 C GLN A 7 -15.559 2.845 -8.598 1.00 11.36 C ATOM 31 O GLN A 7 -15.463 3.026 -7.406 1.00 10.97 O ATOM 32 CB GLN A 7 -16.461 4.824 -9.817 1.00 13.19 C ATOM 33 CG GLN A 7 -16.079 6.065 -10.628 1.00 13.36 C ATOM 34 CD GLN A 7 -15.163 6.966 -9.797 1.00 13.61 C ATOM 35 OE1 GLN A 7 -14.067 7.283 -10.214 1.00 13.82 O ATOM 36 NE2 GLN A 7 -15.567 7.394 -8.633 1.00 13.77 N ATOM 0 H GLN A 7 -15.481 3.467 -11.663 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.407 4.555 -9.220 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -17.233 4.260 -10.340 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.879 5.121 -8.855 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -15.575 5.768 -11.548 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -16.976 6.612 -10.918 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -16.487 7.128 -8.283 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -14.963 7.995 -8.073 1.00 13.77 H new ATOM 45 N GLU A 8 -15.963 1.703 -9.066 1.00 13.01 N ATOM 46 CA GLU A 8 -16.307 0.604 -8.123 1.00 12.24 C ATOM 47 C GLU A 8 -15.055 0.157 -7.363 1.00 11.73 C ATOM 48 O GLU A 8 -15.110 -0.149 -6.192 1.00 11.71 O ATOM 49 CB GLU A 8 -16.879 -0.579 -8.906 1.00 13.27 C ATOM 50 CG GLU A 8 -18.254 -0.209 -9.464 1.00 13.55 C ATOM 51 CD GLU A 8 -19.257 -0.069 -8.317 1.00 14.55 C ATOM 52 OE1 GLU A 8 -19.162 -0.841 -7.376 1.00 14.92 O ATOM 53 OE2 GLU A 8 -20.100 0.809 -8.396 1.00 15.06 O ATOM 0 H GLU A 8 -16.071 1.481 -10.056 1.00 13.01 H new ATOM 0 HA GLU A 8 -17.049 0.963 -7.410 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -16.206 -0.849 -9.720 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.961 -1.451 -8.258 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.191 0.726 -10.021 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -18.591 -0.974 -10.163 1.00 13.55 H new ATOM 60 N GLU A 9 -13.936 0.080 -8.033 1.00 11.46 N ATOM 61 CA GLU A 9 -12.684 -0.392 -7.362 1.00 11.12 C ATOM 62 C GLU A 9 -12.095 0.670 -6.416 1.00 10.28 C ATOM 63 O GLU A 9 -11.662 0.352 -5.325 1.00 10.32 O ATOM 64 CB GLU A 9 -11.648 -0.725 -8.438 1.00 12.40 C ATOM 65 CG GLU A 9 -12.072 -1.983 -9.203 1.00 13.24 C ATOM 66 CD GLU A 9 -11.101 -2.222 -10.361 1.00 14.08 C ATOM 67 OE1 GLU A 9 -10.160 -1.456 -10.487 1.00 14.26 O ATOM 68 OE2 GLU A 9 -11.313 -3.169 -11.102 1.00 14.68 O ATOM 0 H GLU A 9 -13.832 0.324 -9.018 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.932 -1.269 -6.764 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.546 0.113 -9.128 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.672 -0.881 -7.979 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -12.078 -2.844 -8.535 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -13.087 -1.867 -9.583 1.00 13.24 H new ATOM 75 N VAL A 10 -12.040 1.916 -6.812 1.00 9.75 N ATOM 76 CA VAL A 10 -11.437 2.945 -5.906 1.00 9.10 C ATOM 77 C VAL A 10 -12.232 3.061 -4.601 1.00 7.91 C ATOM 78 O VAL A 10 -11.681 3.375 -3.570 1.00 7.70 O ATOM 79 CB VAL A 10 -11.388 4.312 -6.596 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.655 4.183 -7.930 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.807 4.820 -6.831 1.00 11.17 C ATOM 0 H VAL A 10 -12.380 2.264 -7.709 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.422 2.624 -5.673 1.00 9.10 H new ATOM 0 HB VAL A 10 -10.857 5.021 -5.961 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.620 5.155 -8.421 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.639 3.828 -7.754 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -11.182 3.473 -8.568 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.769 5.792 -7.322 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.346 4.115 -7.464 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.322 4.916 -5.875 1.00 11.17 H new ATOM 91 N LYS A 11 -13.513 2.817 -4.613 1.00 7.38 N ATOM 92 CA LYS A 11 -14.271 2.933 -3.331 1.00 6.32 C ATOM 93 C LYS A 11 -13.695 1.953 -2.313 1.00 5.68 C ATOM 94 O LYS A 11 -13.557 2.267 -1.150 1.00 5.93 O ATOM 95 CB LYS A 11 -15.757 2.652 -3.546 1.00 8.26 C ATOM 96 CG LYS A 11 -16.374 3.802 -4.342 1.00 8.64 C ATOM 97 CD LYS A 11 -17.862 3.530 -4.562 1.00 9.23 C ATOM 98 CE LYS A 11 -18.469 4.656 -5.401 1.00 9.91 C ATOM 99 NZ LYS A 11 -18.551 5.904 -4.588 1.00 10.51 N ATOM 0 H LYS A 11 -14.059 2.549 -5.432 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.172 3.952 -2.957 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.888 1.712 -4.081 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.262 2.546 -2.586 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -16.241 4.742 -3.806 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.867 3.907 -5.301 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.997 2.573 -5.067 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -18.375 3.460 -3.603 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.861 4.829 -6.289 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -19.463 4.370 -5.746 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -19.156 6.596 -5.075 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -18.957 5.685 -3.656 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -17.598 6.302 -4.466 1.00 10.51 H new ATOM 113 N LYS A 12 -13.349 0.772 -2.740 1.00 5.08 N ATOM 114 CA LYS A 12 -12.776 -0.220 -1.790 1.00 4.72 C ATOM 115 C LYS A 12 -11.492 0.352 -1.190 1.00 4.34 C ATOM 116 O LYS A 12 -11.163 0.090 -0.049 1.00 4.65 O ATOM 117 CB LYS A 12 -12.468 -1.534 -2.526 1.00 6.91 C ATOM 118 CG LYS A 12 -13.739 -2.382 -2.658 1.00 7.86 C ATOM 119 CD LYS A 12 -14.709 -1.721 -3.634 1.00 8.86 C ATOM 120 CE LYS A 12 -15.887 -2.659 -3.883 1.00 9.89 C ATOM 121 NZ LYS A 12 -16.479 -3.065 -2.576 1.00 10.82 N ATOM 0 H LYS A 12 -13.438 0.451 -3.704 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.494 -0.424 -0.996 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -12.062 -1.318 -3.515 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.705 -2.092 -1.983 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.484 -3.382 -3.008 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.213 -2.496 -1.683 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -15.063 -0.773 -3.228 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -14.203 -1.496 -4.573 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -16.638 -2.163 -4.497 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -15.556 -3.539 -4.434 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -17.443 -3.424 -2.728 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -15.895 -3.811 -2.147 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -16.512 -2.243 -1.940 1.00 10.82 H new ATOM 135 N TRP A 13 -10.767 1.132 -1.938 1.00 4.15 N ATOM 136 CA TRP A 13 -9.514 1.714 -1.387 1.00 3.58 C ATOM 137 C TRP A 13 -9.857 2.552 -0.158 1.00 2.38 C ATOM 138 O TRP A 13 -9.115 2.606 0.789 1.00 2.83 O ATOM 139 CB TRP A 13 -8.848 2.619 -2.418 1.00 4.70 C ATOM 140 CG TRP A 13 -8.398 1.832 -3.612 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.612 0.507 -3.820 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.660 2.309 -4.770 1.00 5.21 C ATOM 143 NE1 TRP A 13 -8.050 0.151 -5.033 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.452 1.228 -5.656 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.157 3.569 -5.130 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.765 1.394 -6.859 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.465 3.740 -6.338 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.269 2.654 -7.202 1.00 6.26 C ATOM 0 H TRP A 13 -10.985 1.391 -2.900 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.834 0.903 -1.126 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.546 3.395 -2.731 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.993 3.123 -1.967 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -9.135 -0.159 -3.149 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -8.075 -0.792 -5.420 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.304 4.413 -4.472 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.618 0.553 -7.521 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.081 4.714 -6.604 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -5.736 2.791 -8.131 1.00 6.26 H new ATOM 159 N ALA A 14 -10.974 3.218 -0.169 1.00 0.01 N ATOM 160 CA ALA A 14 -11.348 4.055 1.006 1.00 0.01 C ATOM 161 C ALA A 14 -11.955 3.168 2.097 1.00 0.01 C ATOM 162 O ALA A 14 -12.237 3.618 3.190 1.00 0.01 O ATOM 163 CB ALA A 14 -12.379 5.099 0.575 1.00 0.00 C ATOM 0 H ALA A 14 -11.645 3.221 -0.938 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.459 4.552 1.394 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.655 5.713 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.952 5.732 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.266 4.597 0.188 1.00 0.00 H new ATOM 169 N GLU A 15 -12.181 1.914 1.802 1.00 0.01 N ATOM 170 CA GLU A 15 -12.798 1.001 2.813 1.00 0.01 C ATOM 171 C GLU A 15 -11.728 0.265 3.629 1.00 0.01 C ATOM 172 O GLU A 15 -11.967 -0.107 4.760 1.00 0.01 O ATOM 173 CB GLU A 15 -13.664 -0.024 2.083 1.00 0.01 C ATOM 174 CG GLU A 15 -14.877 0.685 1.483 1.00 0.01 C ATOM 175 CD GLU A 15 -15.748 -0.326 0.737 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.289 -1.437 0.532 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.855 0.032 0.372 1.00 0.01 O ATOM 0 H GLU A 15 -11.965 1.481 0.904 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.398 1.598 3.500 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -13.087 -0.513 1.298 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.987 -0.803 2.773 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.456 1.166 2.271 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.551 1.471 0.802 1.00 0.01 H new ATOM 184 N SER A 16 -10.559 0.041 3.084 1.00 0.01 N ATOM 185 CA SER A 16 -9.519 -0.687 3.876 1.00 0.01 C ATOM 186 C SER A 16 -8.171 -0.679 3.152 1.00 0.00 C ATOM 187 O SER A 16 -8.092 -0.772 1.943 1.00 0.00 O ATOM 188 CB SER A 16 -9.957 -2.137 4.079 1.00 0.01 C ATOM 189 OG SER A 16 -10.174 -2.741 2.811 1.00 0.01 O ATOM 0 H SER A 16 -10.282 0.324 2.144 1.00 0.01 H new ATOM 0 HA SER A 16 -9.408 -0.183 4.836 1.00 0.01 H new ATOM 0 HB2 SER A 16 -9.194 -2.686 4.631 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.870 -2.174 4.674 1.00 0.01 H new ATOM 0 HG SER A 16 -10.454 -3.672 2.936 1.00 0.01 H new ATOM 195 N LEU A 17 -7.110 -0.582 3.909 1.00 0.00 N ATOM 196 CA LEU A 17 -5.736 -0.571 3.325 1.00 0.00 C ATOM 197 C LEU A 17 -5.468 -1.861 2.547 1.00 0.01 C ATOM 198 O LEU A 17 -4.863 -1.844 1.493 1.00 0.00 O ATOM 199 CB LEU A 17 -4.734 -0.436 4.475 1.00 0.01 C ATOM 200 CG LEU A 17 -3.294 -0.438 3.945 1.00 0.00 C ATOM 201 CD1 LEU A 17 -3.090 0.719 2.952 1.00 0.01 C ATOM 202 CD2 LEU A 17 -2.326 -0.279 5.131 1.00 0.00 C ATOM 0 H LEU A 17 -7.138 -0.509 4.926 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.637 0.264 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.924 0.487 5.022 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.868 -1.257 5.179 1.00 0.01 H new ATOM 0 HG LEU A 17 -3.100 -1.378 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.064 0.706 2.584 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.778 0.605 2.114 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -3.283 1.667 3.454 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -1.299 -0.279 4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.529 0.662 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.464 -1.107 5.826 1.00 0.00 H new ATOM 214 N GLU A 18 -5.903 -2.980 3.050 1.00 0.01 N ATOM 215 CA GLU A 18 -5.657 -4.258 2.332 1.00 0.00 C ATOM 216 C GLU A 18 -6.162 -4.148 0.890 1.00 0.00 C ATOM 217 O GLU A 18 -5.536 -4.628 -0.030 1.00 0.01 O ATOM 218 CB GLU A 18 -6.416 -5.385 3.039 1.00 0.01 C ATOM 219 CG GLU A 18 -5.763 -5.691 4.388 1.00 0.01 C ATOM 220 CD GLU A 18 -4.422 -6.389 4.155 1.00 0.00 C ATOM 221 OE1 GLU A 18 -4.154 -6.752 3.023 1.00 0.01 O ATOM 222 OE2 GLU A 18 -3.691 -6.561 5.116 1.00 0.01 O ATOM 0 H GLU A 18 -6.418 -3.065 3.926 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.588 -4.469 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.457 -5.097 3.187 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.419 -6.279 2.416 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -5.613 -4.769 4.950 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -6.417 -6.326 4.986 1.00 0.01 H new ATOM 229 N ASN A 19 -7.287 -3.523 0.683 1.00 0.01 N ATOM 230 CA ASN A 19 -7.818 -3.399 -0.708 1.00 0.00 C ATOM 231 C ASN A 19 -6.860 -2.587 -1.582 1.00 0.00 C ATOM 232 O ASN A 19 -6.551 -2.964 -2.696 1.00 0.01 O ATOM 233 CB ASN A 19 -9.169 -2.684 -0.678 1.00 0.01 C ATOM 234 CG ASN A 19 -10.224 -3.591 -0.044 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.139 -4.800 -0.137 1.00 0.01 O ATOM 236 ND2 ASN A 19 -11.223 -3.056 0.602 1.00 0.01 N ATOM 0 H ASN A 19 -7.860 -3.094 1.410 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.925 -4.401 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.087 -1.756 -0.112 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.470 -2.414 -1.690 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.932 -3.652 1.029 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.295 -2.042 0.680 1.00 0.01 H new ATOM 243 N LEU A 20 -6.403 -1.468 -1.094 1.00 0.00 N ATOM 244 CA LEU A 20 -5.483 -0.624 -1.906 1.00 0.01 C ATOM 245 C LEU A 20 -4.225 -1.433 -2.239 1.00 0.01 C ATOM 246 O LEU A 20 -3.764 -1.454 -3.363 1.00 0.00 O ATOM 247 CB LEU A 20 -5.114 0.634 -1.103 1.00 0.00 C ATOM 248 CG LEU A 20 -4.168 1.546 -1.905 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.920 2.190 -3.079 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.649 2.654 -0.985 1.00 0.01 C ATOM 0 H LEU A 20 -6.626 -1.101 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.967 -0.322 -2.835 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -6.020 1.182 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.638 0.345 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.341 0.951 -2.291 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.240 2.833 -3.638 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.305 1.410 -3.736 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.750 2.785 -2.697 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.978 3.306 -1.544 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.489 3.236 -0.607 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.110 2.210 -0.148 1.00 0.01 H new ATOM 262 N ILE A 21 -3.667 -2.094 -1.263 1.00 0.01 N ATOM 263 CA ILE A 21 -2.438 -2.902 -1.507 1.00 0.00 C ATOM 264 C ILE A 21 -2.790 -4.168 -2.295 1.00 0.00 C ATOM 265 O ILE A 21 -1.966 -4.723 -2.993 1.00 0.00 O ATOM 266 CB ILE A 21 -1.817 -3.306 -0.166 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.398 -2.051 0.610 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.588 -4.184 -0.418 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.014 -2.442 2.040 1.00 0.01 C ATOM 0 H ILE A 21 -4.010 -2.110 -0.303 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.730 -2.304 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.550 -3.862 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.556 -1.568 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.215 -1.330 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.145 -4.472 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.886 -5.079 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.143 -3.627 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.716 -1.551 2.593 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -1.869 -2.906 2.532 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.184 -3.148 2.014 1.00 0.01 H new ATOM 281 N ASN A 22 -4.001 -4.646 -2.166 1.00 0.00 N ATOM 282 CA ASN A 22 -4.393 -5.897 -2.884 1.00 0.01 C ATOM 283 C ASN A 22 -4.971 -5.573 -4.268 1.00 0.01 C ATOM 284 O ASN A 22 -5.335 -6.462 -5.012 1.00 0.01 O ATOM 285 CB ASN A 22 -5.444 -6.635 -2.054 1.00 0.01 C ATOM 286 CG ASN A 22 -4.830 -7.027 -0.708 1.00 0.01 C ATOM 287 OD1 ASN A 22 -5.509 -7.548 0.155 1.00 0.01 O ATOM 288 ND2 ASN A 22 -3.566 -6.785 -0.488 1.00 0.01 N ATOM 0 H ASN A 22 -4.735 -4.225 -1.596 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.509 -6.520 -3.018 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -6.316 -5.999 -1.899 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.787 -7.523 -2.584 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -3.148 -7.033 0.409 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -2.997 -6.348 -1.213 1.00 0.01 H new ATOM 295 N HIS A 23 -5.053 -4.318 -4.628 1.00 0.01 N ATOM 296 CA HIS A 23 -5.604 -3.961 -5.976 1.00 0.01 C ATOM 297 C HIS A 23 -4.444 -3.799 -6.963 1.00 0.01 C ATOM 298 O HIS A 23 -3.419 -3.226 -6.649 1.00 0.01 O ATOM 299 CB HIS A 23 -6.394 -2.652 -5.873 1.00 0.00 C ATOM 300 CG HIS A 23 -7.248 -2.470 -7.100 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.825 -1.733 -8.194 1.00 0.01 N ATOM 302 CD2 HIS A 23 -8.509 -2.913 -7.414 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.816 -1.753 -9.106 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.866 -2.459 -8.680 1.00 0.01 N ATOM 0 H HIS A 23 -4.765 -3.527 -4.053 1.00 0.01 H new ATOM 0 HA HIS A 23 -6.269 -4.749 -6.328 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -7.021 -2.665 -4.982 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.709 -1.811 -5.768 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -5.926 -1.261 -8.291 1.00 0.01 H new ATOM 0 HD2 HIS A 23 -9.130 -3.522 -6.775 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.767 -1.258 -10.065 1.00 0.01 H new ATOM 312 N GLU A 24 -4.591 -4.326 -8.150 1.00 0.01 N ATOM 313 CA GLU A 24 -3.496 -4.242 -9.162 1.00 0.01 C ATOM 314 C GLU A 24 -3.168 -2.780 -9.473 1.00 0.01 C ATOM 315 O GLU A 24 -2.016 -2.411 -9.613 1.00 0.01 O ATOM 316 CB GLU A 24 -3.962 -4.934 -10.446 1.00 0.01 C ATOM 317 CG GLU A 24 -2.846 -4.907 -11.497 1.00 0.01 C ATOM 318 CD GLU A 24 -3.337 -5.603 -12.767 1.00 0.01 C ATOM 319 OE1 GLU A 24 -4.404 -6.191 -12.721 1.00 0.01 O ATOM 320 OE2 GLU A 24 -2.640 -5.530 -13.766 1.00 0.00 O ATOM 0 H GLU A 24 -5.429 -4.815 -8.464 1.00 0.01 H new ATOM 0 HA GLU A 24 -2.603 -4.727 -8.767 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -4.244 -5.965 -10.231 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -4.850 -4.435 -10.835 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -2.563 -3.878 -11.718 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -1.957 -5.407 -11.114 1.00 0.01 H new ATOM 327 N CYS A 25 -4.159 -1.937 -9.582 1.00 0.01 N ATOM 328 CA CYS A 25 -3.868 -0.507 -9.890 1.00 0.01 C ATOM 329 C CYS A 25 -3.572 0.226 -8.592 1.00 0.01 C ATOM 330 O CYS A 25 -2.818 1.177 -8.565 1.00 0.00 O ATOM 331 CB CYS A 25 -5.066 0.142 -10.584 1.00 0.01 C ATOM 332 SG CYS A 25 -4.526 1.687 -11.359 1.00 0.00 S ATOM 0 H CYS A 25 -5.146 -2.172 -9.473 1.00 0.01 H new ATOM 0 HA CYS A 25 -3.007 -0.450 -10.556 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.478 -0.533 -11.334 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.859 0.339 -9.862 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.096 1.812 -12.520 1.00 0.00 H new ATOM 338 N GLY A 26 -4.128 -0.222 -7.502 1.00 0.01 N ATOM 339 CA GLY A 26 -3.824 0.448 -6.218 1.00 0.01 C ATOM 340 C GLY A 26 -2.326 0.339 -6.015 1.00 0.01 C ATOM 341 O GLY A 26 -1.657 1.291 -5.679 1.00 0.01 O ATOM 0 H GLY A 26 -4.771 -1.012 -7.448 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -4.136 1.492 -6.243 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.362 -0.026 -5.397 1.00 0.01 H new ATOM 345 N LEU A 27 -1.788 -0.821 -6.259 1.00 0.01 N ATOM 346 CA LEU A 27 -0.326 -0.996 -6.125 1.00 0.00 C ATOM 347 C LEU A 27 0.362 -0.033 -7.093 1.00 0.00 C ATOM 348 O LEU A 27 1.243 0.710 -6.719 1.00 0.00 O ATOM 349 CB LEU A 27 0.048 -2.440 -6.480 1.00 0.00 C ATOM 350 CG LEU A 27 -0.457 -3.409 -5.400 1.00 0.00 C ATOM 351 CD1 LEU A 27 -0.330 -4.842 -5.920 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.381 -3.266 -4.115 1.00 0.01 C ATOM 0 H LEU A 27 -2.302 -1.654 -6.546 1.00 0.01 H new ATOM 0 HA LEU A 27 -0.010 -0.789 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.382 -2.706 -7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.130 -2.528 -6.578 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.497 -3.177 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.686 -5.538 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.928 -4.955 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.715 -5.056 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.010 -3.959 -3.360 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.425 -3.492 -4.334 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.302 -2.245 -3.741 1.00 0.01 H new ATOM 364 N ALA A 28 -0.045 -0.025 -8.335 1.00 0.00 N ATOM 365 CA ALA A 28 0.592 0.901 -9.315 1.00 0.00 C ATOM 366 C ALA A 28 0.400 2.341 -8.847 1.00 0.01 C ATOM 367 O ALA A 28 1.334 3.117 -8.782 1.00 0.00 O ATOM 368 CB ALA A 28 -0.055 0.723 -10.688 1.00 0.00 C ATOM 0 H ALA A 28 -0.786 -0.616 -8.711 1.00 0.00 H new ATOM 0 HA ALA A 28 1.656 0.676 -9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.413 1.401 -11.401 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.080 -0.305 -11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.120 0.946 -10.620 1.00 0.00 H new ATOM 374 N ALA A 29 -0.805 2.705 -8.515 1.00 0.00 N ATOM 375 CA ALA A 29 -1.053 4.092 -8.048 1.00 0.01 C ATOM 376 C ALA A 29 -0.340 4.303 -6.713 1.00 0.00 C ATOM 377 O ALA A 29 0.222 5.350 -6.454 1.00 0.00 O ATOM 378 CB ALA A 29 -2.555 4.304 -7.850 1.00 0.01 C ATOM 0 H ALA A 29 -1.627 2.102 -8.547 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.679 4.799 -8.788 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.737 5.323 -7.507 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -3.073 4.142 -8.795 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.927 3.599 -7.106 1.00 0.01 H new ATOM 384 N PHE A 30 -0.372 3.319 -5.856 1.00 0.00 N ATOM 385 CA PHE A 30 0.289 3.469 -4.534 1.00 0.00 C ATOM 386 C PHE A 30 1.802 3.631 -4.702 1.00 0.00 C ATOM 387 O PHE A 30 2.399 4.490 -4.091 1.00 0.00 O ATOM 388 CB PHE A 30 -0.020 2.261 -3.645 1.00 0.00 C ATOM 389 CG PHE A 30 0.522 2.523 -2.260 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.023 3.553 -1.485 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.572 1.749 -1.752 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.479 3.815 -0.210 1.00 0.00 C ATOM 393 CE2 PHE A 30 2.072 2.009 -0.471 1.00 0.00 C ATOM 394 CZ PHE A 30 1.527 3.043 0.298 1.00 0.00 C ATOM 0 H PHE A 30 -0.827 2.420 -6.016 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.102 4.366 -4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.096 2.089 -3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.431 1.361 -4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.836 4.148 -1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.995 0.953 -2.347 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.058 4.613 0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.880 1.411 -0.076 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.917 3.245 1.285 1.00 0.00 H new ATOM 404 N LYS A 31 2.440 2.830 -5.519 1.00 0.00 N ATOM 405 CA LYS A 31 3.909 2.997 -5.673 1.00 0.00 C ATOM 406 C LYS A 31 4.210 4.416 -6.138 1.00 0.00 C ATOM 407 O LYS A 31 5.146 5.037 -5.676 1.00 0.00 O ATOM 408 CB LYS A 31 4.450 2.004 -6.698 1.00 0.00 C ATOM 409 CG LYS A 31 4.386 0.584 -6.125 1.00 0.00 C ATOM 410 CD LYS A 31 5.063 -0.403 -7.083 1.00 0.00 C ATOM 411 CE LYS A 31 4.124 -0.767 -8.240 1.00 0.01 C ATOM 412 NZ LYS A 31 2.902 -1.425 -7.703 1.00 0.00 N ATOM 0 H LYS A 31 2.016 2.086 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 31 4.389 2.812 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.868 2.062 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.479 2.257 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.877 0.554 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.347 0.294 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.980 0.036 -7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.348 -1.305 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.852 0.130 -8.797 1.00 0.01 H new ATOM 0 HE3 LYS A 31 4.631 -1.433 -8.938 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 2.252 -1.641 -8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.167 -2.307 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.433 -0.788 -7.028 1.00 0.00 H new ATOM 426 N ALA A 32 3.423 4.955 -7.026 1.00 0.00 N ATOM 427 CA ALA A 32 3.691 6.346 -7.471 1.00 0.00 C ATOM 428 C ALA A 32 3.496 7.269 -6.269 1.00 0.01 C ATOM 429 O ALA A 32 4.268 8.176 -6.035 1.00 0.00 O ATOM 430 CB ALA A 32 2.721 6.729 -8.592 1.00 0.00 C ATOM 0 H ALA A 32 2.618 4.499 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 32 4.708 6.435 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.923 7.751 -8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.852 6.050 -9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.697 6.659 -8.226 1.00 0.00 H new ATOM 436 N PHE A 33 2.481 7.030 -5.487 1.00 0.00 N ATOM 437 CA PHE A 33 2.257 7.874 -4.282 1.00 0.00 C ATOM 438 C PHE A 33 3.463 7.766 -3.345 1.00 0.00 C ATOM 439 O PHE A 33 3.895 8.737 -2.760 1.00 0.00 O ATOM 440 CB PHE A 33 0.995 7.421 -3.559 1.00 0.00 C ATOM 441 CG PHE A 33 0.797 8.277 -2.333 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.094 9.482 -2.429 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.319 7.866 -1.101 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.087 10.278 -1.295 1.00 0.01 C ATOM 445 CE2 PHE A 33 1.138 8.663 0.036 1.00 0.00 C ATOM 446 CZ PHE A 33 0.434 9.871 -0.062 1.00 0.00 C ATOM 0 H PHE A 33 1.797 6.287 -5.630 1.00 0.00 H new ATOM 0 HA PHE A 33 2.135 8.913 -4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.132 7.504 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.079 6.372 -3.276 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.309 9.797 -3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.861 6.935 -1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.630 11.209 -1.370 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.540 8.347 0.987 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.294 10.487 0.814 1.00 0.00 H new ATOM 456 N LEU A 34 4.008 6.588 -3.198 1.00 0.00 N ATOM 457 CA LEU A 34 5.188 6.424 -2.300 1.00 0.00 C ATOM 458 C LEU A 34 6.315 7.314 -2.814 1.00 0.00 C ATOM 459 O LEU A 34 7.030 7.929 -2.053 1.00 0.00 O ATOM 460 CB LEU A 34 5.677 4.973 -2.317 1.00 0.00 C ATOM 461 CG LEU A 34 4.634 4.023 -1.694 1.00 0.00 C ATOM 462 CD1 LEU A 34 5.076 2.554 -1.899 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.489 4.308 -0.187 1.00 0.00 C ATOM 0 H LEU A 34 3.689 5.736 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 34 4.902 6.696 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.883 4.668 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.615 4.897 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 34 3.674 4.187 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.336 1.886 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.162 2.345 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.041 2.394 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.750 3.631 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.449 4.156 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.165 5.338 -0.041 1.00 0.00 H new ATOM 475 N LYS A 35 6.478 7.379 -4.104 1.00 0.00 N ATOM 476 CA LYS A 35 7.561 8.221 -4.684 1.00 0.00 C ATOM 477 C LYS A 35 7.340 9.672 -4.260 1.00 0.01 C ATOM 478 O LYS A 35 8.271 10.388 -3.951 1.00 0.00 O ATOM 479 CB LYS A 35 7.517 8.112 -6.209 1.00 0.00 C ATOM 480 CG LYS A 35 7.900 6.690 -6.617 1.00 0.00 C ATOM 481 CD LYS A 35 7.856 6.557 -8.139 1.00 0.00 C ATOM 482 CE LYS A 35 8.038 5.088 -8.519 1.00 0.00 C ATOM 483 NZ LYS A 35 9.218 4.530 -7.800 1.00 0.01 N ATOM 0 H LYS A 35 5.905 6.883 -4.786 1.00 0.00 H new ATOM 0 HA LYS A 35 8.534 7.883 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.519 8.353 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.203 8.830 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.899 6.454 -6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.216 5.974 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.906 6.929 -8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.641 7.162 -8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.142 4.522 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.178 4.995 -9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.570 3.693 -8.307 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 9.969 5.248 -7.755 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 8.940 4.259 -6.835 1.00 0.01 H new ATOM 497 N SER A 36 6.112 10.109 -4.232 1.00 0.00 N ATOM 498 CA SER A 36 5.834 11.510 -3.814 1.00 0.00 C ATOM 499 C SER A 36 6.343 11.711 -2.386 1.00 0.00 C ATOM 500 O SER A 36 6.904 12.736 -2.056 1.00 0.00 O ATOM 501 CB SER A 36 4.329 11.772 -3.862 1.00 0.00 C ATOM 502 OG SER A 36 3.862 11.591 -5.192 1.00 0.00 O ATOM 0 H SER A 36 5.291 9.557 -4.480 1.00 0.00 H new ATOM 0 HA SER A 36 6.338 12.202 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.809 11.093 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.114 12.786 -3.524 1.00 0.00 H new ATOM 0 HG SER A 36 2.897 11.757 -5.225 1.00 0.00 H new ATOM 508 N GLU A 37 6.155 10.731 -1.538 1.00 0.00 N ATOM 509 CA GLU A 37 6.630 10.850 -0.123 1.00 0.00 C ATOM 510 C GLU A 37 7.925 10.047 0.039 1.00 0.00 C ATOM 511 O GLU A 37 8.435 9.885 1.129 1.00 0.00 O ATOM 512 CB GLU A 37 5.564 10.289 0.825 1.00 0.00 C ATOM 513 CG GLU A 37 4.353 11.224 0.844 1.00 0.00 C ATOM 514 CD GLU A 37 3.288 10.666 1.790 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.504 9.590 2.324 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.277 11.325 1.966 1.00 0.00 O ATOM 0 H GLU A 37 5.692 9.851 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 37 6.811 11.898 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.262 9.293 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.974 10.187 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.655 12.220 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.944 11.326 -0.161 1.00 0.00 H new ATOM 523 N TYR A 38 8.458 9.551 -1.043 1.00 0.00 N ATOM 524 CA TYR A 38 9.723 8.768 -0.968 1.00 0.00 C ATOM 525 C TYR A 38 9.570 7.652 0.059 1.00 0.00 C ATOM 526 O TYR A 38 10.515 7.264 0.717 1.00 0.00 O ATOM 527 CB TYR A 38 10.858 9.698 -0.561 1.00 0.00 C ATOM 528 CG TYR A 38 10.906 10.846 -1.535 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.478 10.660 -2.798 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.360 12.087 -1.188 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.510 11.716 -3.713 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.390 13.143 -2.105 1.00 0.00 C ATOM 533 CZ TYR A 38 10.966 12.958 -3.367 1.00 0.01 C ATOM 534 OH TYR A 38 10.992 13.999 -4.272 1.00 0.00 O ATOM 0 H TYR A 38 8.070 9.655 -1.980 1.00 0.00 H new ATOM 0 HA TYR A 38 9.946 8.327 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.701 10.067 0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.807 9.161 -0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.895 9.700 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.916 12.229 -0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.954 11.573 -4.687 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.969 14.101 -1.839 1.00 0.00 H new ATOM 0 HH TYR A 38 10.572 14.790 -3.873 1.00 0.00 H new ATOM 544 N SER A 39 8.385 7.126 0.193 1.00 0.00 N ATOM 545 CA SER A 39 8.148 6.025 1.170 1.00 0.00 C ATOM 546 C SER A 39 8.168 4.689 0.421 1.00 0.00 C ATOM 547 O SER A 39 7.605 3.708 0.866 1.00 0.00 O ATOM 548 CB SER A 39 6.793 6.234 1.850 1.00 0.00 C ATOM 549 OG SER A 39 6.928 7.225 2.862 1.00 0.00 O ATOM 0 H SER A 39 7.562 7.414 -0.337 1.00 0.00 H new ATOM 0 HA SER A 39 8.926 6.022 1.933 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.048 6.544 1.117 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.442 5.298 2.285 1.00 0.00 H new ATOM 0 HG SER A 39 6.063 7.365 3.300 1.00 0.00 H new ATOM 555 N GLU A 40 8.822 4.644 -0.712 1.00 0.00 N ATOM 556 CA GLU A 40 8.887 3.370 -1.487 1.00 0.00 C ATOM 557 C GLU A 40 9.624 2.330 -0.651 1.00 0.00 C ATOM 558 O GLU A 40 9.531 1.143 -0.886 1.00 0.00 O ATOM 559 CB GLU A 40 9.632 3.593 -2.808 1.00 0.00 C ATOM 560 CG GLU A 40 11.025 4.167 -2.533 1.00 0.00 C ATOM 561 CD GLU A 40 11.765 4.358 -3.857 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.311 3.814 -4.851 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.777 5.041 -3.856 1.00 0.00 O ATOM 0 H GLU A 40 9.313 5.433 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 40 7.878 3.025 -1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.718 2.651 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.067 4.276 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.941 5.119 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.586 3.495 -1.884 1.00 0.00 H new ATOM 570 N GLU A 41 10.343 2.761 0.339 1.00 0.00 N ATOM 571 CA GLU A 41 11.054 1.788 1.202 1.00 0.00 C ATOM 572 C GLU A 41 10.001 0.936 1.918 1.00 0.00 C ATOM 573 O GLU A 41 10.197 -0.234 2.178 1.00 0.00 O ATOM 574 CB GLU A 41 11.898 2.550 2.227 1.00 0.00 C ATOM 575 CG GLU A 41 10.986 3.431 3.090 1.00 0.00 C ATOM 576 CD GLU A 41 11.812 4.513 3.794 1.00 0.00 C ATOM 577 OE1 GLU A 41 12.994 4.609 3.513 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.242 5.231 4.600 1.00 0.00 O ATOM 0 H GLU A 41 10.469 3.742 0.588 1.00 0.00 H new ATOM 0 HA GLU A 41 11.711 1.150 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.445 1.848 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.639 3.166 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.220 3.894 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.469 2.819 3.829 1.00 0.00 H new ATOM 585 N ASN A 42 8.880 1.532 2.237 1.00 0.00 N ATOM 586 CA ASN A 42 7.791 0.787 2.937 1.00 0.00 C ATOM 587 C ASN A 42 7.305 -0.392 2.087 1.00 0.00 C ATOM 588 O ASN A 42 7.183 -1.499 2.574 1.00 0.00 O ATOM 589 CB ASN A 42 6.616 1.732 3.195 1.00 0.00 C ATOM 590 CG ASN A 42 6.998 2.764 4.263 1.00 0.00 C ATOM 591 OD1 ASN A 42 6.318 3.755 4.431 1.00 0.00 O ATOM 592 ND2 ASN A 42 8.063 2.575 4.995 1.00 0.00 N ATOM 0 H ASN A 42 8.672 2.511 2.041 1.00 0.00 H new ATOM 0 HA ASN A 42 8.184 0.404 3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.337 2.239 2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.746 1.163 3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.321 3.259 5.706 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.636 1.743 4.856 1.00 0.00 H new ATOM 599 N ILE A 43 7.009 -0.178 0.828 1.00 0.00 N ATOM 600 CA ILE A 43 6.518 -1.314 -0.006 1.00 0.00 C ATOM 601 C ILE A 43 7.666 -2.308 -0.217 1.00 0.00 C ATOM 602 O ILE A 43 7.471 -3.504 -0.145 1.00 0.00 O ATOM 603 CB ILE A 43 5.953 -0.795 -1.349 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.304 -1.952 -2.139 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.056 -0.150 -2.193 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.889 -2.243 -1.609 1.00 0.00 C ATOM 0 H ILE A 43 7.085 0.720 0.350 1.00 0.00 H new ATOM 0 HA ILE A 43 5.703 -1.827 0.505 1.00 0.00 H new ATOM 0 HB ILE A 43 5.197 -0.041 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.256 -1.695 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.921 -2.847 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.634 0.207 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.488 0.689 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.832 -0.886 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.448 -3.061 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.945 -2.522 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.270 -1.352 -1.716 1.00 0.00 H new ATOM 618 N ASP A 44 8.865 -1.834 -0.439 1.00 0.00 N ATOM 619 CA ASP A 44 10.001 -2.785 -0.599 1.00 0.00 C ATOM 620 C ASP A 44 10.174 -3.518 0.727 1.00 0.00 C ATOM 621 O ASP A 44 10.356 -4.720 0.780 1.00 0.00 O ATOM 622 CB ASP A 44 11.281 -2.018 -0.937 1.00 0.00 C ATOM 623 CG ASP A 44 11.204 -1.497 -2.372 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.414 -2.032 -3.134 1.00 0.00 O ATOM 625 OD2 ASP A 44 11.937 -0.574 -2.688 1.00 0.00 O ATOM 0 H ASP A 44 9.103 -0.845 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 44 9.800 -3.489 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.412 -1.187 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.148 -2.669 -0.822 1.00 0.00 H new ATOM 630 N PHE A 45 10.082 -2.788 1.802 1.00 0.00 N ATOM 631 CA PHE A 45 10.199 -3.399 3.151 1.00 0.00 C ATOM 632 C PHE A 45 9.045 -4.384 3.339 1.00 0.00 C ATOM 633 O PHE A 45 9.205 -5.457 3.885 1.00 0.00 O ATOM 634 CB PHE A 45 10.115 -2.283 4.195 1.00 0.00 C ATOM 635 CG PHE A 45 10.170 -2.856 5.590 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.398 -3.215 6.159 1.00 0.00 C ATOM 637 CD2 PHE A 45 8.989 -3.013 6.324 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.443 -3.731 7.459 1.00 0.00 C ATOM 639 CE2 PHE A 45 9.034 -3.523 7.625 1.00 0.00 C ATOM 640 CZ PHE A 45 10.260 -3.884 8.192 1.00 0.00 C ATOM 0 H PHE A 45 9.928 -1.780 1.801 1.00 0.00 H new ATOM 0 HA PHE A 45 11.146 -3.928 3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.936 -1.581 4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.190 -1.722 4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.311 -3.094 5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.041 -2.740 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.390 -4.011 7.897 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.122 -3.638 8.192 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.294 -4.281 9.196 1.00 0.00 H new ATOM 650 N TRP A 46 7.881 -4.015 2.879 1.00 0.00 N ATOM 651 CA TRP A 46 6.694 -4.906 3.006 1.00 0.00 C ATOM 652 C TRP A 46 6.952 -6.229 2.286 1.00 0.00 C ATOM 653 O TRP A 46 6.581 -7.283 2.759 1.00 0.00 O ATOM 654 CB TRP A 46 5.484 -4.218 2.378 1.00 0.00 C ATOM 655 CG TRP A 46 4.289 -5.110 2.466 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.726 -5.548 3.614 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.500 -5.677 1.381 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.639 -6.348 3.303 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.461 -6.457 1.939 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.587 -5.589 -0.019 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.536 -7.126 1.135 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.660 -6.263 -0.831 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.637 -7.029 -0.256 1.00 0.00 C ATOM 0 H TRP A 46 7.700 -3.124 2.416 1.00 0.00 H new ATOM 0 HA TRP A 46 6.505 -5.105 4.061 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.284 -3.276 2.889 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.692 -3.977 1.336 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.068 -5.313 4.611 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.044 -6.801 3.997 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.371 -5.000 -0.473 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.749 -7.714 1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.736 -6.190 -1.906 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.927 -7.544 -0.887 1.00 0.00 H new ATOM 674 N ILE A 47 7.576 -6.186 1.143 1.00 0.00 N ATOM 675 CA ILE A 47 7.837 -7.449 0.401 1.00 0.00 C ATOM 676 C ILE A 47 8.771 -8.335 1.224 1.00 0.00 C ATOM 677 O ILE A 47 8.595 -9.535 1.297 1.00 0.00 O ATOM 678 CB ILE A 47 8.486 -7.124 -0.947 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.482 -6.368 -1.824 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.897 -8.425 -1.642 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.191 -5.822 -3.066 1.00 0.00 C ATOM 0 H ILE A 47 7.915 -5.336 0.693 1.00 0.00 H new ATOM 0 HA ILE A 47 6.898 -7.975 0.230 1.00 0.00 H new ATOM 0 HB ILE A 47 9.369 -6.505 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.670 -7.032 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.035 -5.550 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.359 -8.194 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.609 -8.963 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.015 -9.045 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.474 -5.285 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.987 -5.143 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.617 -6.649 -3.635 1.00 0.00 H new ATOM 693 N SER A 48 9.758 -7.760 1.854 1.00 0.00 N ATOM 694 CA SER A 48 10.682 -8.584 2.679 1.00 0.00 C ATOM 695 C SER A 48 9.920 -9.116 3.893 1.00 0.00 C ATOM 696 O SER A 48 10.083 -10.251 4.295 1.00 0.00 O ATOM 697 CB SER A 48 11.857 -7.727 3.151 1.00 0.00 C ATOM 698 OG SER A 48 11.370 -6.691 3.991 1.00 0.00 O ATOM 0 H SER A 48 9.963 -6.761 1.833 1.00 0.00 H new ATOM 0 HA SER A 48 11.062 -9.415 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.577 -8.341 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.380 -7.302 2.294 1.00 0.00 H new ATOM 0 HG SER A 48 10.534 -6.336 3.622 1.00 0.00 H new ATOM 704 N CYS A 49 9.082 -8.301 4.475 1.00 0.00 N ATOM 705 CA CYS A 49 8.300 -8.751 5.660 1.00 0.00 C ATOM 706 C CYS A 49 7.331 -9.855 5.242 1.00 0.00 C ATOM 707 O CYS A 49 7.109 -10.804 5.968 1.00 0.01 O ATOM 708 CB CYS A 49 7.511 -7.574 6.227 1.00 0.00 C ATOM 709 SG CYS A 49 8.617 -6.160 6.423 1.00 0.01 S ATOM 0 H CYS A 49 8.906 -7.341 4.179 1.00 0.00 H new ATOM 0 HA CYS A 49 8.982 -9.133 6.420 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.687 -7.318 5.561 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.072 -7.844 7.187 1.00 0.00 H new ATOM 0 HG CYS A 49 9.077 -5.804 5.260 1.00 0.01 H new ATOM 715 N GLU A 50 6.755 -9.746 4.076 1.00 0.00 N ATOM 716 CA GLU A 50 5.808 -10.802 3.627 1.00 0.00 C ATOM 717 C GLU A 50 6.551 -12.129 3.573 1.00 0.01 C ATOM 718 O GLU A 50 6.082 -13.130 4.067 1.00 0.00 O ATOM 719 CB GLU A 50 5.267 -10.460 2.235 1.00 0.01 C ATOM 720 CG GLU A 50 4.194 -9.376 2.353 1.00 0.00 C ATOM 721 CD GLU A 50 3.723 -8.979 0.955 1.00 0.01 C ATOM 722 OE1 GLU A 50 4.312 -8.073 0.389 1.00 0.01 O ATOM 723 OE2 GLU A 50 2.783 -9.587 0.472 1.00 0.00 O ATOM 0 H GLU A 50 6.898 -8.978 3.421 1.00 0.00 H new ATOM 0 HA GLU A 50 4.972 -10.868 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.078 -10.115 1.593 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.848 -11.351 1.768 1.00 0.01 H new ATOM 0 HG2 GLU A 50 3.353 -9.743 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.594 -8.507 2.875 1.00 0.00 H new ATOM 730 N GLU A 51 7.725 -12.149 3.010 1.00 0.01 N ATOM 731 CA GLU A 51 8.480 -13.425 2.977 1.00 0.00 C ATOM 732 C GLU A 51 8.698 -13.857 4.421 1.00 0.01 C ATOM 733 O GLU A 51 8.590 -15.012 4.764 1.00 0.00 O ATOM 734 CB GLU A 51 9.835 -13.218 2.294 1.00 0.00 C ATOM 735 CG GLU A 51 9.631 -12.969 0.799 1.00 0.00 C ATOM 736 CD GLU A 51 10.991 -12.763 0.130 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.969 -12.636 0.848 1.00 0.01 O ATOM 738 OE2 GLU A 51 11.033 -12.737 -1.089 1.00 0.00 O ATOM 0 H GLU A 51 8.187 -11.349 2.578 1.00 0.01 H new ATOM 0 HA GLU A 51 7.928 -14.182 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.354 -12.372 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.465 -14.095 2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.114 -13.815 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.002 -12.092 0.647 1.00 0.00 H new ATOM 745 N TYR A 52 8.991 -12.916 5.271 1.00 0.00 N ATOM 746 CA TYR A 52 9.208 -13.238 6.702 1.00 0.01 C ATOM 747 C TYR A 52 7.901 -13.769 7.308 1.00 0.01 C ATOM 748 O TYR A 52 7.898 -14.711 8.077 1.00 0.01 O ATOM 749 CB TYR A 52 9.637 -11.962 7.432 1.00 0.00 C ATOM 750 CG TYR A 52 10.257 -12.320 8.756 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.447 -12.582 9.863 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.649 -12.394 8.873 1.00 0.01 C ATOM 753 CE1 TYR A 52 10.027 -12.918 11.089 1.00 0.01 C ATOM 754 CE2 TYR A 52 12.230 -12.731 10.097 1.00 0.00 C ATOM 755 CZ TYR A 52 11.421 -12.995 11.207 1.00 0.01 C ATOM 756 OH TYR A 52 11.994 -13.329 12.417 1.00 0.01 O ATOM 0 H TYR A 52 9.090 -11.929 5.031 1.00 0.00 H new ATOM 0 HA TYR A 52 9.982 -13.998 6.803 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.350 -11.406 6.824 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.775 -11.313 7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.372 -12.525 9.772 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.274 -12.190 8.016 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.401 -13.118 11.946 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.305 -12.788 10.187 1.00 0.00 H new ATOM 0 HH TYR A 52 11.297 -13.626 13.038 1.00 0.01 H new ATOM 766 N LYS A 53 6.791 -13.165 6.968 1.00 0.01 N ATOM 767 CA LYS A 53 5.481 -13.625 7.522 1.00 0.01 C ATOM 768 C LYS A 53 5.079 -14.977 6.925 1.00 0.01 C ATOM 769 O LYS A 53 4.273 -15.691 7.488 1.00 0.01 O ATOM 770 CB LYS A 53 4.391 -12.590 7.216 1.00 0.01 C ATOM 771 CG LYS A 53 4.563 -11.379 8.135 1.00 0.00 C ATOM 772 CD LYS A 53 3.447 -10.368 7.861 1.00 0.00 C ATOM 773 CE LYS A 53 3.426 -9.318 8.973 1.00 0.01 C ATOM 774 NZ LYS A 53 2.455 -8.244 8.623 1.00 0.00 N ATOM 0 H LYS A 53 6.735 -12.372 6.329 1.00 0.01 H new ATOM 0 HA LYS A 53 5.590 -13.737 8.601 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.452 -12.280 6.173 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.405 -13.032 7.360 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.535 -11.694 9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.536 -10.917 7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.606 -9.888 6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.485 -10.877 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.147 -9.781 9.920 1.00 0.01 H new ATOM 0 HE3 LYS A 53 4.421 -8.894 9.106 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 2.849 -7.319 8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.274 -8.260 7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.564 -8.402 9.135 1.00 0.00 H new ATOM 788 N LYS A 54 5.616 -15.339 5.791 1.00 0.00 N ATOM 789 CA LYS A 54 5.233 -16.648 5.178 1.00 0.01 C ATOM 790 C LYS A 54 6.144 -17.746 5.724 1.00 0.01 C ATOM 791 O LYS A 54 5.747 -18.888 5.853 1.00 0.01 O ATOM 792 CB LYS A 54 5.403 -16.564 3.659 1.00 0.01 C ATOM 793 CG LYS A 54 4.339 -15.630 3.073 1.00 0.01 C ATOM 794 CD LYS A 54 4.516 -15.550 1.556 1.00 0.00 C ATOM 795 CE LYS A 54 3.465 -14.613 0.962 1.00 0.01 C ATOM 796 NZ LYS A 54 3.814 -14.318 -0.455 1.00 0.01 N ATOM 0 H LYS A 54 6.297 -14.792 5.265 1.00 0.00 H new ATOM 0 HA LYS A 54 4.195 -16.876 5.420 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.399 -16.195 3.414 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.313 -17.557 3.218 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.342 -15.998 3.315 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.428 -14.637 3.514 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.516 -15.189 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.421 -16.543 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.478 -15.073 1.017 1.00 0.01 H new ATOM 0 HE3 LYS A 54 3.419 -13.688 1.537 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 3.101 -13.680 -0.863 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 4.748 -13.863 -0.495 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 3.837 -15.204 -0.999 1.00 0.01 H new ATOM 810 N ILE A 55 7.356 -17.409 6.062 1.00 0.01 N ATOM 811 CA ILE A 55 8.284 -18.431 6.618 1.00 0.01 C ATOM 812 C ILE A 55 7.853 -18.761 8.048 1.00 0.00 C ATOM 813 O ILE A 55 7.881 -17.916 8.920 1.00 0.01 O ATOM 814 CB ILE A 55 9.706 -17.868 6.616 1.00 0.01 C ATOM 815 CG1 ILE A 55 10.161 -17.660 5.167 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.651 -18.851 7.313 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.417 -16.786 5.138 1.00 0.01 C ATOM 0 H ILE A 55 7.744 -16.470 5.977 1.00 0.01 H new ATOM 0 HA ILE A 55 8.258 -19.337 6.013 1.00 0.01 H new ATOM 0 HB ILE A 55 9.723 -16.917 7.148 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.366 -18.623 4.699 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.365 -17.188 4.591 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.663 -18.447 7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.324 -19.003 8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.639 -19.804 6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.736 -16.641 4.106 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.197 -15.818 5.589 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.214 -17.275 5.699 1.00 0.01 H new ATOM 829 N LYS A 56 7.446 -19.979 8.295 1.00 0.01 N ATOM 830 CA LYS A 56 6.999 -20.362 9.672 1.00 0.01 C ATOM 831 C LYS A 56 8.128 -21.088 10.405 1.00 0.01 C ATOM 832 O LYS A 56 7.977 -21.487 11.539 1.00 0.01 O ATOM 833 CB LYS A 56 5.783 -21.279 9.573 1.00 0.01 C ATOM 834 CG LYS A 56 4.598 -20.489 9.009 1.00 0.01 C ATOM 835 CD LYS A 56 3.375 -21.403 8.908 1.00 0.00 C ATOM 836 CE LYS A 56 2.190 -20.613 8.344 1.00 0.00 C ATOM 837 NZ LYS A 56 1.899 -19.448 9.227 1.00 0.00 N ATOM 0 H LYS A 56 7.403 -20.727 7.603 1.00 0.01 H new ATOM 0 HA LYS A 56 6.735 -19.462 10.227 1.00 0.01 H new ATOM 0 HB2 LYS A 56 6.006 -22.130 8.930 1.00 0.01 H new ATOM 0 HB3 LYS A 56 5.534 -21.679 10.556 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.376 -19.637 9.652 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.849 -20.090 8.026 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.597 -22.255 8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.124 -21.802 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.417 -20.269 7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.313 -21.256 8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.927 -19.118 9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.999 -19.733 10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.567 -18.679 9.019 1.00 0.00 H new ATOM 851 N SER A 57 9.255 -21.258 9.768 1.00 0.00 N ATOM 852 CA SER A 57 10.397 -21.953 10.436 1.00 0.01 C ATOM 853 C SER A 57 11.275 -20.891 11.133 1.00 0.01 C ATOM 854 O SER A 57 11.893 -20.092 10.461 1.00 0.00 O ATOM 855 CB SER A 57 11.238 -22.666 9.377 1.00 0.01 C ATOM 856 OG SER A 57 10.502 -23.765 8.856 1.00 0.01 O ATOM 0 H SER A 57 9.436 -20.946 8.814 1.00 0.00 H new ATOM 0 HA SER A 57 10.024 -22.676 11.161 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.497 -21.974 8.576 1.00 0.01 H new ATOM 0 HB3 SER A 57 12.174 -23.014 9.813 1.00 0.01 H new ATOM 0 HG SER A 57 11.037 -24.224 8.175 1.00 0.01 H new ATOM 862 N PRO A 58 11.344 -20.848 12.457 1.00 0.00 N ATOM 863 CA PRO A 58 12.179 -19.812 13.126 1.00 0.01 C ATOM 864 C PRO A 58 13.680 -20.072 12.938 1.00 0.00 C ATOM 865 O PRO A 58 14.511 -19.289 13.353 1.00 0.00 O ATOM 866 CB PRO A 58 11.760 -19.945 14.603 1.00 0.01 C ATOM 867 CG PRO A 58 11.012 -21.281 14.767 1.00 0.01 C ATOM 868 CD PRO A 58 10.627 -21.793 13.367 1.00 0.01 C ATOM 0 HA PRO A 58 12.026 -18.812 12.720 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.636 -19.916 15.252 1.00 0.01 H new ATOM 0 HB3 PRO A 58 11.120 -19.112 14.894 1.00 0.01 H new ATOM 0 HG2 PRO A 58 11.642 -22.009 15.278 1.00 0.01 H new ATOM 0 HG3 PRO A 58 10.121 -21.145 15.380 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.946 -22.824 13.212 1.00 0.01 H new ATOM 0 HD3 PRO A 58 9.549 -21.766 13.209 1.00 0.01 H new ATOM 876 N SER A 59 14.029 -21.163 12.315 1.00 0.01 N ATOM 877 CA SER A 59 15.472 -21.469 12.102 1.00 0.01 C ATOM 878 C SER A 59 15.958 -20.769 10.833 1.00 0.01 C ATOM 879 O SER A 59 17.134 -20.513 10.667 1.00 0.01 O ATOM 880 CB SER A 59 15.655 -22.977 11.943 1.00 0.01 C ATOM 881 OG SER A 59 15.125 -23.382 10.686 1.00 0.01 O ATOM 0 H SER A 59 13.378 -21.856 11.944 1.00 0.01 H new ATOM 0 HA SER A 59 16.047 -21.118 12.959 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.712 -23.236 12.006 1.00 0.01 H new ATOM 0 HB3 SER A 59 15.149 -23.504 12.752 1.00 0.01 H new ATOM 0 HG SER A 59 15.242 -24.349 10.578 1.00 0.01 H new ATOM 887 N LYS A 60 15.064 -20.465 9.928 1.00 0.00 N ATOM 888 CA LYS A 60 15.479 -19.792 8.662 1.00 0.00 C ATOM 889 C LYS A 60 15.361 -18.273 8.816 1.00 0.01 C ATOM 890 O LYS A 60 15.951 -17.519 8.066 1.00 0.01 O ATOM 891 CB LYS A 60 14.562 -20.253 7.530 1.00 0.01 C ATOM 892 CG LYS A 60 14.847 -21.717 7.200 1.00 0.01 C ATOM 893 CD LYS A 60 13.923 -22.164 6.068 1.00 0.01 C ATOM 894 CE LYS A 60 14.200 -23.627 5.729 1.00 0.01 C ATOM 895 NZ LYS A 60 13.227 -24.092 4.701 1.00 0.01 N ATOM 0 H LYS A 60 14.065 -20.654 10.011 1.00 0.00 H new ATOM 0 HA LYS A 60 16.514 -20.051 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.519 -20.133 7.822 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.719 -19.634 6.647 1.00 0.01 H new ATOM 0 HG2 LYS A 60 15.889 -21.840 6.905 1.00 0.01 H new ATOM 0 HG3 LYS A 60 14.690 -22.339 8.081 1.00 0.01 H new ATOM 0 HD2 LYS A 60 12.881 -22.040 6.364 1.00 0.01 H new ATOM 0 HD3 LYS A 60 14.081 -21.540 5.188 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.219 -23.739 5.358 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.119 -24.241 6.626 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 13.416 -25.088 4.470 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 12.260 -24.000 5.072 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 13.326 -23.513 3.843 1.00 0.01 H new ATOM 909 N LEU A 61 14.604 -17.816 9.772 1.00 0.01 N ATOM 910 CA LEU A 61 14.453 -16.344 9.959 1.00 0.01 C ATOM 911 C LEU A 61 15.799 -15.737 10.374 1.00 0.01 C ATOM 912 O LEU A 61 16.167 -14.665 9.939 1.00 0.01 O ATOM 913 CB LEU A 61 13.416 -16.069 11.052 1.00 0.01 C ATOM 914 CG LEU A 61 12.078 -16.721 10.680 1.00 0.00 C ATOM 915 CD1 LEU A 61 11.046 -16.435 11.779 1.00 0.01 C ATOM 916 CD2 LEU A 61 11.573 -16.176 9.329 1.00 0.01 C ATOM 0 H LEU A 61 14.084 -18.395 10.431 1.00 0.01 H new ATOM 0 HA LEU A 61 14.124 -15.895 9.022 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.768 -16.461 12.006 1.00 0.01 H new ATOM 0 HB3 LEU A 61 13.284 -14.994 11.178 1.00 0.01 H new ATOM 0 HG LEU A 61 12.221 -17.798 10.588 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.095 -16.898 11.515 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.399 -16.845 12.725 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.910 -15.358 11.879 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.623 -16.648 9.079 1.00 0.01 H new ATOM 0 HD22 LEU A 61 11.435 -15.097 9.401 1.00 0.01 H new ATOM 0 HD23 LEU A 61 12.304 -16.397 8.551 1.00 0.01 H new ATOM 928 N SER A 62 16.529 -16.411 11.221 1.00 0.00 N ATOM 929 CA SER A 62 17.841 -15.868 11.680 1.00 0.01 C ATOM 930 C SER A 62 18.696 -15.420 10.475 1.00 0.01 C ATOM 931 O SER A 62 19.012 -14.252 10.355 1.00 0.01 O ATOM 932 CB SER A 62 18.576 -16.939 12.514 1.00 0.01 C ATOM 933 OG SER A 62 18.001 -18.211 12.251 1.00 0.01 O ATOM 0 H SER A 62 16.273 -17.316 11.616 1.00 0.00 H new ATOM 0 HA SER A 62 17.669 -14.992 12.305 1.00 0.01 H new ATOM 0 HB2 SER A 62 19.637 -16.947 12.264 1.00 0.01 H new ATOM 0 HB3 SER A 62 18.501 -16.705 13.576 1.00 0.01 H new ATOM 0 HG SER A 62 17.292 -18.391 12.903 1.00 0.01 H new ATOM 939 N PRO A 63 19.078 -16.314 9.587 1.00 0.00 N ATOM 940 CA PRO A 63 19.905 -15.914 8.416 1.00 0.00 C ATOM 941 C PRO A 63 19.418 -14.610 7.759 1.00 0.01 C ATOM 942 O PRO A 63 20.124 -13.621 7.726 1.00 0.00 O ATOM 943 CB PRO A 63 19.746 -17.121 7.468 1.00 0.01 C ATOM 944 CG PRO A 63 19.048 -18.260 8.243 1.00 0.01 C ATOM 945 CD PRO A 63 18.734 -17.762 9.668 1.00 0.01 C ATOM 0 HA PRO A 63 20.939 -15.698 8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 63 19.158 -16.842 6.593 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.720 -17.450 7.106 1.00 0.01 H new ATOM 0 HG2 PRO A 63 18.131 -18.557 7.735 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.690 -19.140 8.282 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.687 -17.916 9.930 1.00 0.01 H new ATOM 0 HD3 PRO A 63 19.331 -18.279 10.419 1.00 0.01 H new ATOM 953 N LYS A 64 18.228 -14.609 7.222 1.00 0.01 N ATOM 954 CA LYS A 64 17.715 -13.379 6.553 1.00 0.01 C ATOM 955 C LYS A 64 17.330 -12.309 7.578 1.00 0.00 C ATOM 956 O LYS A 64 17.340 -11.133 7.275 1.00 0.00 O ATOM 957 CB LYS A 64 16.507 -13.726 5.682 1.00 0.00 C ATOM 958 CG LYS A 64 15.462 -14.484 6.509 1.00 0.01 C ATOM 959 CD LYS A 64 14.311 -14.957 5.600 1.00 0.01 C ATOM 960 CE LYS A 64 14.662 -16.304 4.953 1.00 0.01 C ATOM 961 NZ LYS A 64 14.596 -17.376 5.982 1.00 0.00 N ATOM 0 H LYS A 64 17.590 -15.405 7.217 1.00 0.01 H new ATOM 0 HA LYS A 64 18.511 -12.976 5.927 1.00 0.01 H new ATOM 0 HB2 LYS A 64 16.069 -12.815 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.823 -14.334 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.925 -15.341 6.998 1.00 0.01 H new ATOM 0 HG3 LYS A 64 15.072 -13.839 7.297 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.395 -15.053 6.182 1.00 0.01 H new ATOM 0 HD3 LYS A 64 14.120 -14.213 4.827 1.00 0.01 H new ATOM 0 HE2 LYS A 64 13.969 -16.521 4.140 1.00 0.01 H new ATOM 0 HE3 LYS A 64 15.661 -16.262 4.518 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 14.326 -18.274 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.527 -17.481 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.889 -17.124 6.701 1.00 0.00 H new ATOM 975 N ALA A 65 17.000 -12.678 8.786 1.00 0.00 N ATOM 976 CA ALA A 65 16.641 -11.626 9.779 1.00 0.01 C ATOM 977 C ALA A 65 17.832 -10.687 9.917 1.00 0.01 C ATOM 978 O ALA A 65 17.697 -9.479 9.889 1.00 0.01 O ATOM 979 CB ALA A 65 16.346 -12.257 11.142 1.00 0.01 C ATOM 0 H ALA A 65 16.963 -13.640 9.123 1.00 0.00 H new ATOM 0 HA ALA A 65 15.754 -11.090 9.442 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.086 -11.476 11.856 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.514 -12.954 11.048 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.229 -12.791 11.494 1.00 0.01 H new ATOM 985 N LYS A 66 19.002 -11.244 10.059 1.00 0.01 N ATOM 986 CA LYS A 66 20.219 -10.403 10.193 1.00 0.00 C ATOM 987 C LYS A 66 20.373 -9.535 8.946 1.00 0.01 C ATOM 988 O LYS A 66 20.571 -8.343 9.033 1.00 0.01 O ATOM 989 CB LYS A 66 21.441 -11.307 10.341 1.00 0.01 C ATOM 990 CG LYS A 66 21.395 -11.996 11.705 1.00 0.01 C ATOM 991 CD LYS A 66 22.617 -12.904 11.858 1.00 0.01 C ATOM 992 CE LYS A 66 22.574 -13.593 13.222 1.00 0.00 C ATOM 993 NZ LYS A 66 22.571 -12.564 14.299 1.00 0.00 N ATOM 0 H LYS A 66 19.166 -12.250 10.088 1.00 0.01 H new ATOM 0 HA LYS A 66 20.130 -9.763 11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.456 -12.051 9.545 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.355 -10.721 10.247 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.380 -11.251 12.501 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.480 -12.581 11.799 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.631 -13.649 11.063 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.532 -12.319 11.763 1.00 0.01 H new ATOM 0 HE2 LYS A 66 21.683 -14.217 13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 66 23.435 -14.251 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.895 -12.993 15.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 23.209 -11.786 14.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.607 -12.194 14.423 1.00 0.00 H new ATOM 1007 N LYS A 67 20.279 -10.122 7.782 1.00 0.00 N ATOM 1008 CA LYS A 67 20.415 -9.316 6.538 1.00 0.00 C ATOM 1009 C LYS A 67 19.280 -8.295 6.477 1.00 0.01 C ATOM 1010 O LYS A 67 19.500 -7.124 6.236 1.00 0.01 O ATOM 1011 CB LYS A 67 20.361 -10.238 5.318 1.00 0.00 C ATOM 1012 CG LYS A 67 21.641 -11.079 5.271 1.00 0.01 C ATOM 1013 CD LYS A 67 21.659 -11.951 4.007 1.00 0.00 C ATOM 1014 CE LYS A 67 20.607 -13.062 4.111 1.00 0.00 C ATOM 1015 NZ LYS A 67 20.918 -14.130 3.120 1.00 0.01 N ATOM 0 H LYS A 67 20.115 -11.119 7.641 1.00 0.00 H new ATOM 0 HA LYS A 67 21.371 -8.793 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.487 -10.886 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.263 -9.650 4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.514 -10.426 5.283 1.00 0.01 H new ATOM 0 HG3 LYS A 67 21.702 -11.710 6.158 1.00 0.01 H new ATOM 0 HD2 LYS A 67 21.462 -11.335 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.648 -12.389 3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.598 -13.477 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 67 19.613 -12.656 3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.206 -14.885 3.188 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 20.905 -13.728 2.161 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.860 -14.524 3.318 1.00 0.01 H new ATOM 1029 N ILE A 68 18.068 -8.719 6.717 1.00 0.01 N ATOM 1030 CA ILE A 68 16.933 -7.756 6.692 1.00 0.00 C ATOM 1031 C ILE A 68 17.164 -6.718 7.791 1.00 0.01 C ATOM 1032 O ILE A 68 17.104 -5.526 7.563 1.00 0.00 O ATOM 1033 CB ILE A 68 15.618 -8.503 6.941 1.00 0.01 C ATOM 1034 CG1 ILE A 68 15.329 -9.425 5.751 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.473 -7.497 7.091 1.00 0.00 C ATOM 1036 CD1 ILE A 68 14.164 -10.357 6.088 1.00 0.00 C ATOM 0 H ILE A 68 17.817 -9.685 6.928 1.00 0.01 H new ATOM 0 HA ILE A 68 16.873 -7.264 5.721 1.00 0.00 H new ATOM 0 HB ILE A 68 15.703 -9.092 7.854 1.00 0.01 H new ATOM 0 HG12 ILE A 68 15.088 -8.831 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.216 -10.010 5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.540 -8.032 7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.678 -6.836 7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.386 -6.907 6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.963 -11.010 5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.422 -10.962 6.958 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.276 -9.764 6.308 1.00 0.00 H new ATOM 1048 N TYR A 69 17.444 -7.174 8.984 1.00 0.00 N ATOM 1049 CA TYR A 69 17.702 -6.236 10.109 1.00 0.01 C ATOM 1050 C TYR A 69 18.941 -5.393 9.801 1.00 0.00 C ATOM 1051 O TYR A 69 18.953 -4.191 9.983 1.00 0.01 O ATOM 1052 CB TYR A 69 17.945 -7.034 11.393 1.00 0.01 C ATOM 1053 CG TYR A 69 18.291 -6.089 12.521 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.626 -5.735 12.747 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.281 -5.570 13.344 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.955 -4.863 13.790 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.611 -4.698 14.391 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.948 -4.344 14.613 1.00 0.01 C ATOM 1059 OH TYR A 69 19.273 -3.481 15.641 1.00 0.01 O ATOM 0 H TYR A 69 17.505 -8.163 9.226 1.00 0.00 H new ATOM 0 HA TYR A 69 16.839 -5.583 10.238 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.056 -7.611 11.648 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.755 -7.747 11.242 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.404 -6.136 12.115 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.250 -5.842 13.171 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.986 -4.590 13.961 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.834 -4.299 15.027 1.00 0.01 H new ATOM 0 HH TYR A 69 18.702 -2.686 15.593 1.00 0.01 H new ATOM 1069 N ASN A 70 19.992 -6.025 9.351 1.00 0.01 N ATOM 1070 CA ASN A 70 21.243 -5.278 9.050 1.00 0.00 C ATOM 1071 C ASN A 70 20.999 -4.255 7.939 1.00 0.00 C ATOM 1072 O ASN A 70 21.526 -3.163 7.963 1.00 0.01 O ATOM 1073 CB ASN A 70 22.324 -6.257 8.584 1.00 0.00 C ATOM 1074 CG ASN A 70 22.776 -7.124 9.759 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.616 -6.749 10.905 1.00 0.01 O ATOM 1076 ND2 ASN A 70 23.337 -8.279 9.523 1.00 0.01 N ATOM 0 H ASN A 70 20.036 -7.029 9.179 1.00 0.01 H new ATOM 0 HA ASN A 70 21.564 -4.762 9.955 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.937 -6.887 7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.173 -5.709 8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.641 -8.867 10.299 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.471 -8.594 8.562 1.00 0.01 H new ATOM 1083 N GLU A 71 20.238 -4.614 6.941 1.00 0.00 N ATOM 1084 CA GLU A 71 19.997 -3.675 5.807 1.00 0.00 C ATOM 1085 C GLU A 71 18.843 -2.699 6.081 1.00 0.00 C ATOM 1086 O GLU A 71 18.982 -1.511 5.892 1.00 0.00 O ATOM 1087 CB GLU A 71 19.679 -4.496 4.554 1.00 0.00 C ATOM 1088 CG GLU A 71 20.953 -5.185 4.063 1.00 0.00 C ATOM 1089 CD GLU A 71 20.644 -6.008 2.809 1.00 0.00 C ATOM 1090 OE1 GLU A 71 19.476 -6.151 2.492 1.00 0.00 O ATOM 1091 OE2 GLU A 71 21.582 -6.483 2.192 1.00 0.00 O ATOM 0 H GLU A 71 19.772 -5.518 6.861 1.00 0.00 H new ATOM 0 HA GLU A 71 20.898 -3.076 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.913 -5.239 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 71 19.278 -3.849 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 71 21.718 -4.441 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 71 21.353 -5.831 4.844 1.00 0.00 H new ATOM 1098 N PHE A 72 17.688 -3.185 6.459 1.00 0.00 N ATOM 1099 CA PHE A 72 16.517 -2.267 6.669 1.00 0.00 C ATOM 1100 C PHE A 72 16.453 -1.655 8.080 1.00 0.00 C ATOM 1101 O PHE A 72 15.974 -0.549 8.240 1.00 0.00 O ATOM 1102 CB PHE A 72 15.224 -3.047 6.408 1.00 0.00 C ATOM 1103 CG PHE A 72 15.086 -3.323 4.928 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.421 -2.407 4.106 1.00 0.00 C ATOM 1105 CD2 PHE A 72 15.626 -4.490 4.382 1.00 0.00 C ATOM 1106 CE1 PHE A 72 14.295 -2.661 2.735 1.00 0.00 C ATOM 1107 CE2 PHE A 72 15.501 -4.745 3.011 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.834 -3.830 2.187 1.00 0.00 C ATOM 0 H PHE A 72 17.501 -4.173 6.632 1.00 0.00 H new ATOM 0 HA PHE A 72 16.639 -1.437 5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.235 -3.985 6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.366 -2.477 6.763 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.005 -1.504 4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 72 16.140 -5.196 5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.781 -1.954 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.919 -5.647 2.589 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.736 -4.027 1.130 1.00 0.00 H new ATOM 1118 N ILE A 73 16.861 -2.357 9.109 1.00 0.00 N ATOM 1119 CA ILE A 73 16.732 -1.785 10.499 1.00 0.00 C ATOM 1120 C ILE A 73 18.036 -1.156 10.998 1.00 0.00 C ATOM 1121 O ILE A 73 18.016 -0.323 11.883 1.00 0.01 O ATOM 1122 CB ILE A 73 16.330 -2.903 11.458 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.019 -3.556 10.983 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.147 -2.331 12.868 1.00 0.00 C ATOM 1125 CD1 ILE A 73 13.886 -2.523 10.866 1.00 0.00 C ATOM 0 H ILE A 73 17.273 -3.289 9.056 1.00 0.00 H new ATOM 0 HA ILE A 73 15.977 -1.000 10.462 1.00 0.00 H new ATOM 0 HB ILE A 73 17.115 -3.659 11.476 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.179 -4.034 10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.727 -4.340 11.682 1.00 0.00 H new ATOM 0 HG21 ILE A 73 15.860 -3.131 13.551 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.083 -1.885 13.204 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.367 -1.569 12.853 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.976 -3.018 10.528 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.710 -2.064 11.839 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.168 -1.753 10.148 1.00 0.00 H new ATOM 1137 N SER A 74 19.165 -1.530 10.474 1.00 0.01 N ATOM 1138 CA SER A 74 20.428 -0.920 10.983 1.00 0.00 C ATOM 1139 C SER A 74 20.367 0.595 10.822 1.00 0.00 C ATOM 1140 O SER A 74 19.972 1.104 9.793 1.00 0.01 O ATOM 1141 CB SER A 74 21.620 -1.446 10.189 1.00 0.00 C ATOM 1142 OG SER A 74 21.523 -0.992 8.846 1.00 0.01 O ATOM 0 H SER A 74 19.273 -2.218 9.729 1.00 0.01 H new ATOM 0 HA SER A 74 20.542 -1.181 12.035 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.552 -1.100 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.639 -2.535 10.217 1.00 0.00 H new ATOM 0 HG SER A 74 21.866 -1.683 8.242 1.00 0.01 H new ATOM 1148 N VAL A 75 20.774 1.323 11.824 1.00 0.01 N ATOM 1149 CA VAL A 75 20.757 2.804 11.709 1.00 0.01 C ATOM 1150 C VAL A 75 21.661 3.201 10.543 1.00 0.00 C ATOM 1151 O VAL A 75 21.614 4.308 10.048 1.00 0.00 O ATOM 1152 CB VAL A 75 21.272 3.435 13.003 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.375 3.012 14.168 1.00 0.01 C ATOM 1154 CG2 VAL A 75 22.705 2.963 13.264 1.00 0.00 C ATOM 0 H VAL A 75 21.116 0.957 12.713 1.00 0.01 H new ATOM 0 HA VAL A 75 19.740 3.155 11.535 1.00 0.01 H new ATOM 0 HB VAL A 75 21.258 4.521 12.910 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.741 3.461 15.091 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.355 3.347 13.982 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.389 1.926 14.263 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.074 3.412 14.186 1.00 0.00 H new ATOM 0 HG22 VAL A 75 22.719 1.877 13.358 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.344 3.263 12.434 1.00 0.00 H new ATOM 1164 N GLN A 76 22.482 2.285 10.101 1.00 0.01 N ATOM 1165 CA GLN A 76 23.401 2.569 8.963 1.00 0.01 C ATOM 1166 C GLN A 76 22.730 2.102 7.674 1.00 0.01 C ATOM 1167 O GLN A 76 23.299 2.160 6.602 1.00 0.01 O ATOM 1168 CB GLN A 76 24.699 1.784 9.153 1.00 0.00 C ATOM 1169 CG GLN A 76 25.446 2.300 10.383 1.00 0.01 C ATOM 1170 CD GLN A 76 26.741 1.503 10.557 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.422 1.210 9.593 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.109 1.128 11.751 1.00 0.01 N ATOM 0 H GLN A 76 22.555 1.343 10.485 1.00 0.01 H new ATOM 0 HA GLN A 76 23.620 3.636 8.917 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.478 0.723 9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.327 1.883 8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.670 3.361 10.269 1.00 0.01 H new ATOM 0 HG3 GLN A 76 24.822 2.200 11.271 1.00 0.01 H new ATOM 0 HE21 GLN A 76 26.539 1.373 12.561 1.00 0.01 H new ATOM 0 HE22 GLN A 76 27.967 0.590 11.875 1.00 0.01 H new ATOM 1181 N ALA A 77 21.523 1.627 7.784 1.00 0.01 N ATOM 1182 CA ALA A 77 20.790 1.136 6.586 1.00 0.00 C ATOM 1183 C ALA A 77 20.900 2.154 5.452 1.00 0.01 C ATOM 1184 O ALA A 77 20.818 3.348 5.664 1.00 0.00 O ATOM 1185 CB ALA A 77 19.317 0.946 6.950 1.00 0.00 C ATOM 0 H ALA A 77 21.008 1.557 8.661 1.00 0.01 H new ATOM 0 HA ALA A 77 21.222 0.190 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.770 0.586 6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.233 0.218 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.897 1.898 7.274 1.00 0.00 H new ATOM 1191 N THR A 78 21.074 1.693 4.242 1.00 0.01 N ATOM 1192 CA THR A 78 21.176 2.638 3.095 1.00 0.01 C ATOM 1193 C THR A 78 19.804 3.264 2.863 1.00 0.01 C ATOM 1194 O THR A 78 19.674 4.305 2.250 1.00 0.00 O ATOM 1195 CB THR A 78 21.618 1.877 1.841 1.00 0.00 C ATOM 1196 OG1 THR A 78 20.664 0.868 1.540 1.00 0.01 O ATOM 1197 CG2 THR A 78 22.983 1.235 2.093 1.00 0.01 C ATOM 0 H THR A 78 21.150 0.705 4.000 1.00 0.01 H new ATOM 0 HA THR A 78 21.909 3.416 3.311 1.00 0.01 H new ATOM 0 HB THR A 78 21.691 2.567 1.000 1.00 0.00 H new ATOM 0 HG1 THR A 78 20.945 0.382 0.737 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.300 0.693 1.202 1.00 0.01 H new ATOM 0 HG22 THR A 78 23.713 2.011 2.324 1.00 0.01 H new ATOM 0 HG23 THR A 78 22.910 0.543 2.932 1.00 0.01 H new ATOM 1205 N LYS A 79 18.777 2.634 3.367 1.00 0.00 N ATOM 1206 CA LYS A 79 17.396 3.174 3.212 1.00 0.00 C ATOM 1207 C LYS A 79 16.613 2.896 4.499 1.00 0.00 C ATOM 1208 O LYS A 79 15.857 1.950 4.589 1.00 0.00 O ATOM 1209 CB LYS A 79 16.709 2.505 2.015 1.00 0.00 C ATOM 1210 CG LYS A 79 16.997 1.000 2.007 1.00 0.00 C ATOM 1211 CD LYS A 79 16.304 0.360 0.803 1.00 0.01 C ATOM 1212 CE LYS A 79 16.587 -1.141 0.785 1.00 0.00 C ATOM 1213 NZ LYS A 79 15.648 -1.808 -0.161 1.00 0.00 N ATOM 0 H LYS A 79 18.837 1.758 3.886 1.00 0.00 H new ATOM 0 HA LYS A 79 17.432 4.249 3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.634 2.676 2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.062 2.954 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.072 0.824 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.640 0.545 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.230 0.537 0.853 1.00 0.01 H new ATOM 0 HD3 LYS A 79 16.660 0.818 -0.120 1.00 0.01 H new ATOM 0 HE2 LYS A 79 17.618 -1.325 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.470 -1.557 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.042 -2.473 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.055 -1.091 -0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.191 -2.327 -0.881 1.00 0.00 H new ATOM 1227 N GLU A 80 16.793 3.715 5.499 1.00 0.00 N ATOM 1228 CA GLU A 80 16.061 3.488 6.775 1.00 0.00 C ATOM 1229 C GLU A 80 14.560 3.536 6.506 1.00 0.00 C ATOM 1230 O GLU A 80 14.080 4.362 5.755 1.00 0.00 O ATOM 1231 CB GLU A 80 16.431 4.580 7.782 1.00 0.00 C ATOM 1232 CG GLU A 80 17.880 4.395 8.242 1.00 0.00 C ATOM 1233 CD GLU A 80 18.287 5.571 9.132 1.00 0.01 C ATOM 1234 OE1 GLU A 80 17.470 6.459 9.317 1.00 0.01 O ATOM 1235 OE2 GLU A 80 19.409 5.565 9.610 1.00 0.00 O ATOM 0 H GLU A 80 17.411 4.526 5.487 1.00 0.00 H new ATOM 0 HA GLU A 80 16.333 2.514 7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.307 5.563 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.760 4.538 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.982 3.458 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.542 4.333 7.378 1.00 0.00 H new ATOM 1242 N VAL A 81 13.812 2.658 7.116 1.00 0.00 N ATOM 1243 CA VAL A 81 12.339 2.653 6.899 1.00 0.00 C ATOM 1244 C VAL A 81 11.687 3.564 7.938 1.00 0.00 C ATOM 1245 O VAL A 81 12.256 3.848 8.972 1.00 0.00 O ATOM 1246 CB VAL A 81 11.808 1.226 7.053 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.150 0.415 5.800 1.00 0.00 C ATOM 1248 CG2 VAL A 81 12.459 0.571 8.273 1.00 0.00 C ATOM 0 H VAL A 81 14.158 1.943 7.756 1.00 0.00 H new ATOM 0 HA VAL A 81 12.106 3.013 5.897 1.00 0.00 H new ATOM 0 HB VAL A 81 10.726 1.253 7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.772 -0.601 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.690 0.881 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.232 0.387 5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.082 -0.446 8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.540 0.544 8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.219 1.147 9.167 1.00 0.00 H new ATOM 1258 N ASN A 82 10.504 4.034 7.667 1.00 0.00 N ATOM 1259 CA ASN A 82 9.824 4.937 8.634 1.00 0.00 C ATOM 1260 C ASN A 82 9.259 4.121 9.797 1.00 0.00 C ATOM 1261 O ASN A 82 8.202 3.529 9.700 1.00 0.00 O ATOM 1262 CB ASN A 82 8.688 5.669 7.921 1.00 0.00 C ATOM 1263 CG ASN A 82 7.808 4.652 7.192 1.00 0.00 C ATOM 1264 OD1 ASN A 82 7.983 3.459 7.345 1.00 0.00 O ATOM 1265 ND2 ASN A 82 6.865 5.076 6.395 1.00 0.00 N ATOM 0 H ASN A 82 9.978 3.832 6.817 1.00 0.00 H new ATOM 0 HA ASN A 82 10.541 5.660 9.023 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.094 6.231 8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.094 6.390 7.212 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.275 4.406 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.718 6.077 6.266 1.00 0.00 H new ATOM 1272 N LEU A 83 9.957 4.088 10.902 1.00 0.00 N ATOM 1273 CA LEU A 83 9.470 3.316 12.087 1.00 0.00 C ATOM 1274 C LEU A 83 9.868 4.063 13.359 1.00 0.00 C ATOM 1275 O LEU A 83 10.764 4.884 13.352 1.00 0.00 O ATOM 1276 CB LEU A 83 10.114 1.922 12.115 1.00 0.01 C ATOM 1277 CG LEU A 83 9.611 1.061 10.944 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.428 -0.234 10.894 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.121 0.720 11.128 1.00 0.00 C ATOM 0 H LEU A 83 10.849 4.565 11.037 1.00 0.00 H new ATOM 0 HA LEU A 83 8.387 3.211 12.024 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.199 2.017 12.062 1.00 0.01 H new ATOM 0 HB3 LEU A 83 9.883 1.429 13.059 1.00 0.01 H new ATOM 0 HG LEU A 83 9.729 1.617 10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.079 -0.852 10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.481 0.006 10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.305 -0.778 11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.781 0.110 10.291 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.986 0.167 12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.539 1.641 11.166 1.00 0.00 H new ATOM 1291 N ASP A 84 9.218 3.784 14.455 1.00 0.01 N ATOM 1292 CA ASP A 84 9.579 4.481 15.718 1.00 0.00 C ATOM 1293 C ASP A 84 10.944 3.973 16.190 1.00 0.00 C ATOM 1294 O ASP A 84 11.396 2.918 15.792 1.00 0.00 O ATOM 1295 CB ASP A 84 8.523 4.190 16.786 1.00 0.00 C ATOM 1296 CG ASP A 84 8.321 2.680 16.907 1.00 0.01 C ATOM 1297 OD1 ASP A 84 7.888 2.080 15.937 1.00 0.00 O ATOM 1298 OD2 ASP A 84 8.599 2.148 17.968 1.00 0.01 O ATOM 0 H ASP A 84 8.458 3.108 14.529 1.00 0.01 H new ATOM 0 HA ASP A 84 9.624 5.557 15.547 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.837 4.603 17.745 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.582 4.673 16.523 1.00 0.00 H new ATOM 1303 N SER A 85 11.606 4.722 17.024 1.00 0.00 N ATOM 1304 CA SER A 85 12.947 4.293 17.515 1.00 0.01 C ATOM 1305 C SER A 85 12.801 3.094 18.453 1.00 0.01 C ATOM 1306 O SER A 85 13.756 2.396 18.733 1.00 0.00 O ATOM 1307 CB SER A 85 13.610 5.448 18.262 1.00 0.01 C ATOM 1308 OG SER A 85 13.949 6.472 17.335 1.00 0.00 O ATOM 0 H SER A 85 11.277 5.616 17.389 1.00 0.00 H new ATOM 0 HA SER A 85 13.564 4.007 16.664 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.935 5.839 19.023 1.00 0.01 H new ATOM 0 HB3 SER A 85 14.504 5.098 18.778 1.00 0.01 H new ATOM 0 HG SER A 85 14.373 7.216 17.811 1.00 0.00 H new ATOM 1314 N CYS A 86 11.621 2.855 18.954 1.00 0.01 N ATOM 1315 CA CYS A 86 11.425 1.707 19.889 1.00 0.01 C ATOM 1316 C CYS A 86 11.192 0.416 19.100 1.00 0.00 C ATOM 1317 O CYS A 86 11.783 -0.607 19.389 1.00 0.01 O ATOM 1318 CB CYS A 86 10.216 1.987 20.782 1.00 0.01 C ATOM 1319 SG CYS A 86 10.137 0.745 22.097 1.00 0.01 S ATOM 0 H CYS A 86 10.783 3.403 18.758 1.00 0.01 H new ATOM 0 HA CYS A 86 12.318 1.588 20.502 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.293 2.985 21.214 1.00 0.01 H new ATOM 0 HB3 CYS A 86 9.301 1.965 20.191 1.00 0.01 H new ATOM 0 HG CYS A 86 9.110 0.984 22.858 1.00 0.01 H new ATOM 1325 N THR A 87 10.333 0.440 18.119 1.00 0.00 N ATOM 1326 CA THR A 87 10.071 -0.804 17.337 1.00 0.00 C ATOM 1327 C THR A 87 11.364 -1.291 16.679 1.00 0.00 C ATOM 1328 O THR A 87 11.641 -2.471 16.646 1.00 0.01 O ATOM 1329 CB THR A 87 9.024 -0.531 16.255 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.818 -0.100 16.864 1.00 0.00 O ATOM 1331 CG2 THR A 87 8.764 -1.817 15.464 1.00 0.00 C ATOM 0 H THR A 87 9.803 1.261 17.825 1.00 0.00 H new ATOM 0 HA THR A 87 9.699 -1.572 18.016 1.00 0.00 H new ATOM 0 HB THR A 87 9.389 0.244 15.581 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.410 0.604 16.318 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.018 -1.625 14.692 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.691 -2.151 14.998 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.398 -2.591 16.138 1.00 0.00 H new ATOM 1339 N ARG A 88 12.165 -0.404 16.157 1.00 0.01 N ATOM 1340 CA ARG A 88 13.428 -0.861 15.519 1.00 0.00 C ATOM 1341 C ARG A 88 14.262 -1.584 16.577 1.00 0.00 C ATOM 1342 O ARG A 88 14.785 -2.657 16.348 1.00 0.01 O ATOM 1343 CB ARG A 88 14.199 0.341 14.969 1.00 0.00 C ATOM 1344 CG ARG A 88 13.447 0.912 13.763 1.00 0.00 C ATOM 1345 CD ARG A 88 14.216 2.107 13.199 1.00 0.00 C ATOM 1346 NE ARG A 88 14.345 3.162 14.241 1.00 0.01 N ATOM 1347 CZ ARG A 88 15.239 4.101 14.102 1.00 0.00 C ATOM 1348 NH1 ARG A 88 16.024 4.102 13.059 1.00 0.00 N ATOM 1349 NH2 ARG A 88 15.352 5.038 15.003 1.00 0.01 N ATOM 0 H ARG A 88 12.002 0.603 16.145 1.00 0.01 H new ATOM 0 HA ARG A 88 13.211 -1.535 14.691 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.306 1.104 15.740 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.205 0.040 14.676 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.333 0.145 12.997 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.444 1.219 14.059 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.204 1.790 12.865 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.698 2.506 12.327 1.00 0.00 H new ATOM 0 HE ARG A 88 13.737 3.151 15.060 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.937 3.369 12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 88 16.724 4.836 12.948 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.740 5.037 15.819 1.00 0.01 H new ATOM 0 HH22 ARG A 88 16.052 5.771 14.891 1.00 0.01 H new ATOM 1363 N GLU A 89 14.357 -1.017 17.749 1.00 0.01 N ATOM 1364 CA GLU A 89 15.117 -1.683 18.844 1.00 0.01 C ATOM 1365 C GLU A 89 14.468 -3.032 19.142 1.00 0.01 C ATOM 1366 O GLU A 89 15.135 -4.015 19.398 1.00 0.00 O ATOM 1367 CB GLU A 89 15.084 -0.810 20.101 1.00 0.01 C ATOM 1368 CG GLU A 89 15.956 0.428 19.888 1.00 0.01 C ATOM 1369 CD GLU A 89 15.895 1.312 21.136 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.069 1.038 21.991 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.674 2.247 21.213 1.00 0.01 O ATOM 0 H GLU A 89 13.940 -0.119 17.995 1.00 0.01 H new ATOM 0 HA GLU A 89 16.153 -1.828 18.539 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.059 -0.512 20.322 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.443 -1.377 20.960 1.00 0.01 H new ATOM 0 HG2 GLU A 89 16.986 0.131 19.689 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.610 0.985 19.017 1.00 0.01 H new ATOM 1378 N GLU A 90 13.164 -3.077 19.120 1.00 0.00 N ATOM 1379 CA GLU A 90 12.454 -4.353 19.412 1.00 0.01 C ATOM 1380 C GLU A 90 12.896 -5.418 18.409 1.00 0.01 C ATOM 1381 O GLU A 90 13.094 -6.564 18.764 1.00 0.01 O ATOM 1382 CB GLU A 90 10.940 -4.131 19.294 1.00 0.01 C ATOM 1383 CG GLU A 90 10.183 -5.419 19.640 1.00 0.00 C ATOM 1384 CD GLU A 90 10.447 -5.799 21.099 1.00 0.01 C ATOM 1385 OE1 GLU A 90 10.716 -4.905 21.884 1.00 0.00 O ATOM 1386 OE2 GLU A 90 10.372 -6.978 21.405 1.00 0.01 O ATOM 0 H GLU A 90 12.559 -2.283 18.912 1.00 0.00 H new ATOM 0 HA GLU A 90 12.694 -4.684 20.422 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.630 -3.328 19.963 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.690 -3.815 18.281 1.00 0.01 H new ATOM 0 HG2 GLU A 90 9.114 -5.278 19.479 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.501 -6.227 18.981 1.00 0.00 H new ATOM 1393 N THR A 91 13.059 -5.065 17.162 1.00 0.01 N ATOM 1394 CA THR A 91 13.496 -6.089 16.175 1.00 0.01 C ATOM 1395 C THR A 91 14.879 -6.588 16.580 1.00 0.01 C ATOM 1396 O THR A 91 15.164 -7.762 16.506 1.00 0.01 O ATOM 1397 CB THR A 91 13.575 -5.489 14.769 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.377 -4.777 14.487 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.747 -6.619 13.755 1.00 0.01 C ATOM 0 H THR A 91 12.911 -4.127 16.790 1.00 0.01 H new ATOM 0 HA THR A 91 12.775 -6.906 16.164 1.00 0.01 H new ATOM 0 HB THR A 91 14.422 -4.806 14.708 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.429 -4.392 13.587 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.804 -6.201 12.750 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.664 -7.167 13.973 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.896 -7.297 13.818 1.00 0.01 H new ATOM 1407 N SER A 92 15.731 -5.696 17.016 1.00 0.01 N ATOM 1408 CA SER A 92 17.105 -6.096 17.441 1.00 0.01 C ATOM 1409 C SER A 92 17.007 -7.099 18.596 1.00 0.01 C ATOM 1410 O SER A 92 17.771 -8.038 18.693 1.00 0.00 O ATOM 1411 CB SER A 92 17.867 -4.859 17.912 1.00 0.01 C ATOM 1412 OG SER A 92 17.470 -4.545 19.241 1.00 0.01 O ATOM 0 H SER A 92 15.531 -4.699 17.096 1.00 0.01 H new ATOM 0 HA SER A 92 17.629 -6.553 16.602 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.941 -5.042 17.874 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.663 -4.017 17.250 1.00 0.01 H new ATOM 0 HG SER A 92 16.725 -3.908 19.218 1.00 0.01 H new ATOM 1418 N ARG A 93 16.075 -6.889 19.480 1.00 0.01 N ATOM 1419 CA ARG A 93 15.910 -7.808 20.641 1.00 0.01 C ATOM 1420 C ARG A 93 15.412 -9.172 20.158 1.00 0.01 C ATOM 1421 O ARG A 93 15.814 -10.207 20.655 1.00 0.01 O ATOM 1422 CB ARG A 93 14.893 -7.205 21.607 1.00 0.00 C ATOM 1423 CG ARG A 93 15.502 -5.963 22.263 1.00 0.01 C ATOM 1424 CD ARG A 93 14.496 -5.330 23.237 1.00 0.01 C ATOM 1425 NE ARG A 93 14.727 -3.851 23.299 1.00 0.00 N ATOM 1426 CZ ARG A 93 15.924 -3.353 23.482 1.00 0.01 C ATOM 1427 NH1 ARG A 93 16.924 -4.128 23.804 1.00 0.00 N ATOM 1428 NH2 ARG A 93 16.108 -2.064 23.395 1.00 0.01 N ATOM 0 H ARG A 93 15.414 -6.113 19.449 1.00 0.01 H new ATOM 0 HA ARG A 93 16.868 -7.939 21.144 1.00 0.01 H new ATOM 0 HB2 ARG A 93 13.980 -6.940 21.074 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.618 -7.935 22.368 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.414 -6.234 22.796 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.783 -5.239 21.498 1.00 0.01 H new ATOM 0 HD2 ARG A 93 13.477 -5.537 22.910 1.00 0.01 H new ATOM 0 HD3 ARG A 93 14.608 -5.769 24.229 1.00 0.01 H new ATOM 0 HE ARG A 93 13.934 -3.218 23.196 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.777 -5.131 23.915 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.853 -3.730 23.944 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.321 -1.450 23.185 1.00 0.01 H new ATOM 0 HH22 ARG A 93 17.038 -1.671 23.537 1.00 0.01 H new ATOM 1442 N ASN A 94 14.522 -9.176 19.209 1.00 0.01 N ATOM 1443 CA ASN A 94 13.965 -10.460 18.697 1.00 0.01 C ATOM 1444 C ASN A 94 15.075 -11.297 18.049 1.00 0.01 C ATOM 1445 O ASN A 94 14.939 -12.492 17.874 1.00 0.01 O ATOM 1446 CB ASN A 94 12.885 -10.154 17.657 1.00 0.01 C ATOM 1447 CG ASN A 94 11.689 -9.495 18.346 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.475 -9.677 19.528 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.896 -8.725 17.651 1.00 0.01 N ATOM 0 H ASN A 94 14.152 -8.338 18.761 1.00 0.01 H new ATOM 0 HA ASN A 94 13.537 -11.024 19.526 1.00 0.01 H new ATOM 0 HB2 ASN A 94 13.283 -9.495 16.886 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.572 -11.072 17.160 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.098 -8.277 18.100 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.075 -8.572 16.659 1.00 0.01 H new ATOM 1456 N MET A 95 16.169 -10.683 17.688 1.00 0.01 N ATOM 1457 CA MET A 95 17.280 -11.450 17.050 1.00 0.01 C ATOM 1458 C MET A 95 17.755 -12.533 18.014 1.00 0.01 C ATOM 1459 O MET A 95 18.158 -13.606 17.612 1.00 0.01 O ATOM 1460 CB MET A 95 18.438 -10.506 16.727 1.00 0.01 C ATOM 1461 CG MET A 95 17.894 -9.294 15.977 1.00 0.01 C ATOM 1462 SD MET A 95 17.081 -9.822 14.449 1.00 0.01 S ATOM 1463 CE MET A 95 18.490 -9.604 13.339 1.00 0.01 C ATOM 0 H MET A 95 16.343 -9.685 17.807 1.00 0.01 H new ATOM 0 HA MET A 95 16.926 -11.909 16.127 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.934 -10.190 17.645 1.00 0.01 H new ATOM 0 HB3 MET A 95 19.185 -11.019 16.122 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.187 -8.754 16.607 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.706 -8.605 15.747 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.149 -9.653 12.305 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.952 -8.634 13.523 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.220 -10.393 13.518 1.00 0.01 H new ATOM 1473 N LEU A 96 17.704 -12.263 19.289 1.00 0.01 N ATOM 1474 CA LEU A 96 18.142 -13.280 20.282 1.00 0.01 C ATOM 1475 C LEU A 96 17.195 -14.477 20.187 1.00 0.01 C ATOM 1476 O LEU A 96 17.542 -15.593 20.520 1.00 0.01 O ATOM 1477 CB LEU A 96 18.068 -12.679 21.688 1.00 0.01 C ATOM 1478 CG LEU A 96 18.971 -11.442 21.774 1.00 0.01 C ATOM 1479 CD1 LEU A 96 18.798 -10.786 23.147 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.443 -11.847 21.573 1.00 0.01 C ATOM 0 H LEU A 96 17.378 -11.381 19.685 1.00 0.01 H new ATOM 0 HA LEU A 96 19.167 -13.593 20.081 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.039 -12.406 21.923 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.378 -13.419 22.426 1.00 0.01 H new ATOM 0 HG LEU A 96 18.691 -10.736 20.992 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.438 -9.906 23.213 1.00 0.01 H new ATOM 0 HD12 LEU A 96 17.758 -10.489 23.280 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.075 -11.495 23.927 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.076 -10.962 21.636 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.734 -12.557 22.347 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.563 -12.310 20.593 1.00 0.01 H new ATOM 1492 N GLU A 97 15.995 -14.241 19.725 1.00 0.01 N ATOM 1493 CA GLU A 97 14.995 -15.338 19.585 1.00 0.01 C ATOM 1494 C GLU A 97 14.149 -15.068 18.328 1.00 0.01 C ATOM 1495 O GLU A 97 13.059 -14.541 18.420 1.00 0.01 O ATOM 1496 CB GLU A 97 14.085 -15.355 20.820 1.00 0.01 C ATOM 1497 CG GLU A 97 13.823 -13.919 21.285 1.00 0.01 C ATOM 1498 CD GLU A 97 12.730 -13.917 22.354 1.00 0.01 C ATOM 1499 OE1 GLU A 97 12.966 -14.469 23.417 1.00 0.01 O ATOM 1500 OE2 GLU A 97 11.675 -13.363 22.095 1.00 0.01 O ATOM 0 H GLU A 97 15.662 -13.321 19.435 1.00 0.01 H new ATOM 0 HA GLU A 97 15.500 -16.300 19.497 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.143 -15.849 20.583 1.00 0.01 H new ATOM 0 HB3 GLU A 97 14.553 -15.928 21.621 1.00 0.01 H new ATOM 0 HG2 GLU A 97 14.738 -13.483 21.686 1.00 0.01 H new ATOM 0 HG3 GLU A 97 13.520 -13.302 20.439 1.00 0.01 H new ATOM 1507 N PRO A 98 14.649 -15.401 17.154 1.00 0.01 N ATOM 1508 CA PRO A 98 13.889 -15.144 15.897 1.00 0.01 C ATOM 1509 C PRO A 98 12.515 -15.833 15.894 1.00 0.01 C ATOM 1510 O PRO A 98 12.415 -17.042 15.940 1.00 0.01 O ATOM 1511 CB PRO A 98 14.826 -15.713 14.810 1.00 0.00 C ATOM 1512 CG PRO A 98 16.181 -16.041 15.471 1.00 0.01 C ATOM 1513 CD PRO A 98 15.982 -16.050 16.996 1.00 0.01 C ATOM 0 HA PRO A 98 13.652 -14.090 15.751 1.00 0.01 H new ATOM 0 HB2 PRO A 98 14.393 -16.609 14.365 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.960 -14.990 14.006 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.546 -17.010 15.130 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.930 -15.301 15.190 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.990 -17.062 17.400 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.767 -15.495 17.510 1.00 0.01 H new ATOM 1521 N THR A 99 11.462 -15.056 15.840 1.00 0.01 N ATOM 1522 CA THR A 99 10.078 -15.626 15.835 1.00 0.01 C ATOM 1523 C THR A 99 9.295 -15.031 14.664 1.00 0.01 C ATOM 1524 O THR A 99 9.739 -14.105 14.019 1.00 0.01 O ATOM 1525 CB THR A 99 9.375 -15.265 17.146 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.463 -13.861 17.355 1.00 0.01 O ATOM 1527 CG2 THR A 99 10.045 -16.002 18.307 1.00 0.00 C ATOM 0 H THR A 99 11.503 -14.038 15.799 1.00 0.01 H new ATOM 0 HA THR A 99 10.128 -16.710 15.734 1.00 0.01 H new ATOM 0 HB THR A 99 8.327 -15.560 17.092 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.562 -13.486 17.444 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.543 -15.744 19.240 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.976 -17.077 18.143 1.00 0.00 H new ATOM 0 HG23 THR A 99 11.094 -15.710 18.366 1.00 0.00 H new ATOM 1535 N ILE A 100 8.133 -15.556 14.389 1.00 0.00 N ATOM 1536 CA ILE A 100 7.317 -15.024 13.259 1.00 0.01 C ATOM 1537 C ILE A 100 6.796 -13.630 13.623 1.00 0.01 C ATOM 1538 O ILE A 100 6.379 -12.869 12.772 1.00 0.01 O ATOM 1539 CB ILE A 100 6.139 -15.976 13.002 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.399 -15.569 11.715 1.00 0.01 C ATOM 1541 CG2 ILE A 100 5.169 -15.921 14.185 1.00 0.01 C ATOM 1542 CD1 ILE A 100 6.308 -15.740 10.490 1.00 0.01 C ATOM 0 H ILE A 100 7.712 -16.332 14.899 1.00 0.00 H new ATOM 0 HA ILE A 100 7.926 -14.952 12.358 1.00 0.01 H new ATOM 0 HB ILE A 100 6.522 -16.990 12.887 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.503 -16.178 11.597 1.00 0.01 H new ATOM 0 HG13 ILE A 100 5.072 -14.532 11.790 1.00 0.01 H new ATOM 0 HG21 ILE A 100 4.333 -16.597 14.002 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.687 -16.223 15.095 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.794 -14.904 14.301 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.766 -15.447 9.591 1.00 0.01 H new ATOM 0 HD12 ILE A 100 7.192 -15.112 10.602 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.613 -16.783 10.406 1.00 0.01 H new ATOM 1554 N THR A 101 6.823 -13.287 14.884 1.00 0.00 N ATOM 1555 CA THR A 101 6.333 -11.942 15.310 1.00 0.01 C ATOM 1556 C THR A 101 7.497 -10.947 15.315 1.00 0.01 C ATOM 1557 O THR A 101 7.365 -9.823 15.759 1.00 0.01 O ATOM 1558 CB THR A 101 5.747 -12.039 16.719 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.752 -12.491 17.615 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.574 -13.021 16.722 1.00 0.01 C ATOM 0 H THR A 101 7.164 -13.882 15.639 1.00 0.00 H new ATOM 0 HA THR A 101 5.566 -11.600 14.615 1.00 0.01 H new ATOM 0 HB THR A 101 5.392 -11.058 17.035 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.380 -12.553 18.520 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.158 -13.088 17.727 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.805 -12.671 16.034 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.922 -14.005 16.407 1.00 0.01 H new ATOM 1568 N CYS A 102 8.636 -11.355 14.834 1.00 0.00 N ATOM 1569 CA CYS A 102 9.817 -10.445 14.817 1.00 0.00 C ATOM 1570 C CYS A 102 9.515 -9.181 14.002 1.00 0.01 C ATOM 1571 O CYS A 102 9.519 -8.083 14.522 1.00 0.01 O ATOM 1572 CB CYS A 102 11.004 -11.170 14.184 1.00 0.00 C ATOM 1573 SG CYS A 102 12.505 -10.183 14.412 1.00 0.01 S ATOM 0 H CYS A 102 8.802 -12.285 14.449 1.00 0.00 H new ATOM 0 HA CYS A 102 10.050 -10.159 15.843 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.129 -12.152 14.640 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.820 -11.332 13.122 1.00 0.00 H new ATOM 0 HG CYS A 102 12.956 -9.805 13.253 1.00 0.01 H new ATOM 1579 N PHE A 103 9.282 -9.323 12.722 1.00 0.00 N ATOM 1580 CA PHE A 103 9.015 -8.125 11.866 1.00 0.01 C ATOM 1581 C PHE A 103 7.515 -7.821 11.794 1.00 0.01 C ATOM 1582 O PHE A 103 7.110 -6.854 11.182 1.00 0.00 O ATOM 1583 CB PHE A 103 9.552 -8.388 10.457 1.00 0.00 C ATOM 1584 CG PHE A 103 11.061 -8.354 10.481 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.781 -9.514 10.769 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.738 -7.160 10.214 1.00 0.00 C ATOM 1587 CE1 PHE A 103 13.181 -9.485 10.794 1.00 0.01 C ATOM 1588 CE2 PHE A 103 13.138 -7.126 10.238 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.860 -8.289 10.530 1.00 0.00 C ATOM 0 H PHE A 103 9.265 -10.217 12.231 1.00 0.00 H new ATOM 0 HA PHE A 103 9.516 -7.263 12.306 1.00 0.01 H new ATOM 0 HB2 PHE A 103 9.205 -9.357 10.099 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.171 -7.637 9.765 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.257 -10.436 10.973 1.00 0.01 H new ATOM 0 HD2 PHE A 103 11.181 -6.263 9.989 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.736 -10.384 11.017 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.660 -6.203 10.031 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.939 -8.264 10.552 1.00 0.00 H new ATOM 1599 N ASP A 104 6.682 -8.611 12.414 1.00 0.01 N ATOM 1600 CA ASP A 104 5.224 -8.304 12.358 1.00 0.01 C ATOM 1601 C ASP A 104 4.992 -6.934 12.994 1.00 0.00 C ATOM 1602 O ASP A 104 4.201 -6.143 12.519 1.00 0.01 O ATOM 1603 CB ASP A 104 4.419 -9.357 13.123 1.00 0.01 C ATOM 1604 CG ASP A 104 4.456 -10.682 12.359 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.928 -10.679 11.235 1.00 0.00 O ATOM 1606 OD2 ASP A 104 4.017 -11.677 12.912 1.00 0.01 O ATOM 0 H ASP A 104 6.940 -9.441 12.948 1.00 0.01 H new ATOM 0 HA ASP A 104 4.897 -8.307 11.318 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.832 -9.490 14.123 1.00 0.01 H new ATOM 0 HB3 ASP A 104 3.388 -9.024 13.245 1.00 0.01 H new ATOM 1611 N GLU A 105 5.680 -6.650 14.065 1.00 0.00 N ATOM 1612 CA GLU A 105 5.506 -5.333 14.734 1.00 0.00 C ATOM 1613 C GLU A 105 5.967 -4.228 13.787 1.00 0.00 C ATOM 1614 O GLU A 105 5.358 -3.181 13.695 1.00 0.01 O ATOM 1615 CB GLU A 105 6.335 -5.290 16.022 1.00 0.00 C ATOM 1616 CG GLU A 105 6.035 -3.997 16.787 1.00 0.00 C ATOM 1617 CD GLU A 105 4.589 -4.024 17.289 1.00 0.01 C ATOM 1618 OE1 GLU A 105 4.032 -5.106 17.370 1.00 0.00 O ATOM 1619 OE2 GLU A 105 4.063 -2.962 17.577 1.00 0.01 O ATOM 0 H GLU A 105 6.356 -7.275 14.505 1.00 0.00 H new ATOM 0 HA GLU A 105 4.455 -5.187 14.985 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.103 -6.154 16.644 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.397 -5.345 15.784 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.721 -3.892 17.628 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.190 -3.134 16.139 1.00 0.00 H new ATOM 1626 N ALA A 106 7.038 -4.450 13.080 1.00 0.00 N ATOM 1627 CA ALA A 106 7.530 -3.410 12.140 1.00 0.00 C ATOM 1628 C ALA A 106 6.545 -3.283 10.981 1.00 0.00 C ATOM 1629 O ALA A 106 6.108 -2.202 10.641 1.00 0.00 O ATOM 1630 CB ALA A 106 8.902 -3.819 11.601 1.00 0.00 C ATOM 0 H ALA A 106 7.592 -5.305 13.113 1.00 0.00 H new ATOM 0 HA ALA A 106 7.616 -2.455 12.658 1.00 0.00 H new ATOM 0 HB1 ALA A 106 9.264 -3.057 10.911 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.603 -3.921 12.430 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.818 -4.771 11.078 1.00 0.00 H new ATOM 1636 N GLN A 107 6.188 -4.380 10.373 1.00 0.00 N ATOM 1637 CA GLN A 107 5.226 -4.320 9.239 1.00 0.00 C ATOM 1638 C GLN A 107 3.901 -3.720 9.713 1.00 0.00 C ATOM 1639 O GLN A 107 3.279 -2.942 9.016 1.00 0.00 O ATOM 1640 CB GLN A 107 4.989 -5.720 8.680 1.00 0.00 C ATOM 1641 CG GLN A 107 4.002 -5.623 7.522 1.00 0.00 C ATOM 1642 CD GLN A 107 3.949 -6.957 6.776 1.00 0.00 C ATOM 1643 OE1 GLN A 107 4.756 -7.831 7.016 1.00 0.00 O ATOM 1644 NE2 GLN A 107 3.034 -7.144 5.864 1.00 0.00 N ATOM 0 H GLN A 107 6.521 -5.314 10.612 1.00 0.00 H new ATOM 0 HA GLN A 107 5.644 -3.690 8.453 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.929 -6.155 8.340 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.597 -6.376 9.457 1.00 0.00 H new ATOM 0 HG2 GLN A 107 3.011 -5.365 7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.302 -4.826 6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.356 -6.409 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.997 -8.026 5.352 1.00 0.00 H new ATOM 1653 N LYS A 108 3.459 -4.075 10.888 1.00 0.00 N ATOM 1654 CA LYS A 108 2.170 -3.520 11.393 1.00 0.00 C ATOM 1655 C LYS A 108 2.285 -1.999 11.469 1.00 0.00 C ATOM 1656 O LYS A 108 1.361 -1.281 11.140 1.00 0.00 O ATOM 1657 CB LYS A 108 1.860 -4.088 12.784 1.00 0.00 C ATOM 1658 CG LYS A 108 0.533 -3.508 13.283 1.00 0.00 C ATOM 1659 CD LYS A 108 0.036 -4.305 14.496 1.00 0.01 C ATOM 1660 CE LYS A 108 1.003 -4.141 15.674 1.00 0.00 C ATOM 1661 NZ LYS A 108 2.142 -5.086 15.512 1.00 0.00 N ATOM 0 H LYS A 108 3.932 -4.723 11.519 1.00 0.00 H new ATOM 0 HA LYS A 108 1.362 -3.798 10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.801 -5.176 12.741 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.663 -3.839 13.478 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.664 -2.460 13.554 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.210 -3.541 12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.958 -3.962 14.782 1.00 0.01 H new ATOM 0 HD3 LYS A 108 -0.054 -5.359 14.235 1.00 0.01 H new ATOM 0 HE2 LYS A 108 1.370 -3.116 15.718 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.486 -4.335 16.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.511 -5.349 16.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.817 -5.940 15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.895 -4.630 14.959 1.00 0.00 H new ATOM 1675 N LYS A 109 3.413 -1.499 11.891 1.00 0.01 N ATOM 1676 CA LYS A 109 3.585 -0.023 11.973 1.00 0.00 C ATOM 1677 C LYS A 109 3.453 0.566 10.567 1.00 0.00 C ATOM 1678 O LYS A 109 2.900 1.632 10.381 1.00 0.00 O ATOM 1679 CB LYS A 109 4.967 0.312 12.548 1.00 0.00 C ATOM 1680 CG LYS A 109 5.032 -0.067 14.037 1.00 0.00 C ATOM 1681 CD LYS A 109 4.362 1.011 14.903 1.00 0.01 C ATOM 1682 CE LYS A 109 4.619 0.704 16.380 1.00 0.00 C ATOM 1683 NZ LYS A 109 3.861 1.666 17.229 1.00 0.01 N ATOM 0 H LYS A 109 4.222 -2.048 12.182 1.00 0.01 H new ATOM 0 HA LYS A 109 2.822 0.401 12.626 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.738 -0.225 11.995 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.170 1.376 12.427 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.538 -1.026 14.195 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.072 -0.190 14.341 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.757 1.995 14.650 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.290 1.038 14.706 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.314 -0.317 16.608 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.685 0.774 16.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.036 1.456 18.232 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 4.173 2.636 17.018 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 2.844 1.578 17.030 1.00 0.01 H new ATOM 1697 N ILE A 110 3.948 -0.123 9.571 1.00 0.00 N ATOM 1698 CA ILE A 110 3.831 0.406 8.184 1.00 0.00 C ATOM 1699 C ILE A 110 2.345 0.488 7.834 1.00 0.00 C ATOM 1700 O ILE A 110 1.864 1.493 7.348 1.00 0.00 O ATOM 1701 CB ILE A 110 4.526 -0.542 7.202 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.017 -0.680 7.557 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.383 0.003 5.779 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.699 0.694 7.622 1.00 0.00 C ATOM 0 H ILE A 110 4.424 -1.021 9.659 1.00 0.00 H new ATOM 0 HA ILE A 110 4.300 1.388 8.119 1.00 0.00 H new ATOM 0 HB ILE A 110 4.058 -1.524 7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.120 -1.186 8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.515 -1.302 6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.877 -0.671 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.326 0.080 5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.843 0.989 5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.752 0.566 7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.616 1.188 6.654 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.215 1.305 8.384 1.00 0.00 H new ATOM 1716 N PHE A 111 1.609 -0.560 8.098 1.00 0.00 N ATOM 1717 CA PHE A 111 0.149 -0.538 7.805 1.00 0.00 C ATOM 1718 C PHE A 111 -0.493 0.596 8.609 1.00 0.00 C ATOM 1719 O PHE A 111 -1.191 1.435 8.075 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.469 -1.898 8.222 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.746 -2.749 7.000 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.300 -3.098 6.143 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.052 -3.175 6.720 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.043 -3.872 5.006 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.309 -3.948 5.586 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.266 -4.297 4.729 1.00 0.00 C ATOM 0 H PHE A 111 1.957 -1.429 8.504 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.026 -0.376 6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.211 -2.423 8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.394 -1.730 8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.307 -2.771 6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.861 -2.905 7.383 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.851 -4.142 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.316 -4.276 5.373 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.465 -4.895 3.852 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.260 0.625 9.888 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.853 1.702 10.723 1.00 0.00 C ATOM 1738 C ASN A 112 -0.276 3.055 10.308 1.00 0.00 C ATOM 1739 O ASN A 112 -0.971 4.046 10.246 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.521 1.441 12.194 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.356 0.267 12.708 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -1.244 -0.115 13.857 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -2.192 -0.328 11.903 1.00 0.00 N ATOM 0 H ASN A 112 0.315 -0.050 10.392 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.934 1.713 10.584 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.541 1.221 12.304 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.725 2.333 12.787 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.751 -1.113 12.237 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.287 -0.008 10.939 1.00 0.00 H new ATOM 1750 N LEU A 113 0.997 3.108 10.035 1.00 0.00 N ATOM 1751 CA LEU A 113 1.619 4.403 9.647 1.00 0.00 C ATOM 1752 C LEU A 113 1.044 4.903 8.319 1.00 0.00 C ATOM 1753 O LEU A 113 0.520 5.994 8.237 1.00 0.00 O ATOM 1754 CB LEU A 113 3.134 4.205 9.516 1.00 0.00 C ATOM 1755 CG LEU A 113 3.804 5.485 8.996 1.00 0.00 C ATOM 1756 CD1 LEU A 113 3.450 6.673 9.902 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.323 5.282 8.992 1.00 0.00 C ATOM 0 H LEU A 113 1.633 2.311 10.064 1.00 0.00 H new ATOM 0 HA LEU A 113 1.404 5.148 10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.556 3.935 10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.341 3.378 8.836 1.00 0.00 H new ATOM 0 HG LEU A 113 3.451 5.695 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 113 3.931 7.575 9.524 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.369 6.814 9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.798 6.474 10.915 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.810 6.185 8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.665 5.073 10.006 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.576 4.444 8.343 1.00 0.00 H new ATOM 1769 N MET A 114 1.150 4.127 7.277 1.00 0.00 N ATOM 1770 CA MET A 114 0.623 4.582 5.959 1.00 0.00 C ATOM 1771 C MET A 114 -0.896 4.777 6.040 1.00 0.00 C ATOM 1772 O MET A 114 -1.442 5.713 5.495 1.00 0.00 O ATOM 1773 CB MET A 114 0.969 3.529 4.891 1.00 0.00 C ATOM 1774 CG MET A 114 0.102 2.273 5.078 1.00 0.00 C ATOM 1775 SD MET A 114 0.963 0.822 4.411 1.00 0.00 S ATOM 1776 CE MET A 114 0.758 1.175 2.645 1.00 0.00 C ATOM 0 H MET A 114 1.577 3.201 7.280 1.00 0.00 H new ATOM 0 HA MET A 114 1.079 5.535 5.690 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.809 3.944 3.896 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.024 3.264 4.960 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.114 2.124 6.136 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.855 2.403 4.573 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.222 0.354 2.170 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.191 2.098 2.522 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.738 1.286 2.180 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.579 3.900 6.717 1.00 0.00 N ATOM 1787 CA GLU A 115 -3.061 4.018 6.828 1.00 0.00 C ATOM 1788 C GLU A 115 -3.458 5.324 7.534 1.00 0.00 C ATOM 1789 O GLU A 115 -4.420 5.966 7.176 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.585 2.824 7.623 1.00 0.00 C ATOM 1791 CG GLU A 115 -5.109 2.894 7.716 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.631 1.633 8.405 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.819 0.783 8.735 1.00 0.01 O ATOM 1794 OE2 GLU A 115 -6.833 1.537 8.590 1.00 0.00 O ATOM 0 H GLU A 115 -1.173 3.100 7.202 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.495 4.030 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.283 1.894 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.150 2.821 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.410 3.779 8.276 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.542 2.984 6.720 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.753 5.715 8.549 1.00 0.01 N ATOM 1802 CA LYS A 116 -3.135 6.968 9.261 1.00 0.00 C ATOM 1803 C LYS A 116 -2.846 8.213 8.411 1.00 0.01 C ATOM 1804 O LYS A 116 -3.616 9.153 8.422 1.00 0.00 O ATOM 1805 CB LYS A 116 -2.389 7.062 10.592 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.968 6.036 11.572 1.00 0.00 C ATOM 1807 CD LYS A 116 -2.223 6.128 12.904 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.817 5.121 13.891 1.00 0.00 C ATOM 1809 NZ LYS A 116 -2.704 3.748 13.327 1.00 0.00 N ATOM 0 H LYS A 116 -1.935 5.231 8.918 1.00 0.01 H new ATOM 0 HA LYS A 116 -4.209 6.931 9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -1.326 6.876 10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -2.481 8.067 11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.031 6.222 11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.876 5.031 11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.163 5.925 12.755 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.300 7.138 13.307 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.293 5.178 14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.862 5.360 14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.637 3.432 12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.035 3.754 12.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.361 3.098 14.063 1.00 0.00 H new ATOM 1823 N ASP A 117 -1.738 8.253 7.704 1.00 0.00 N ATOM 1824 CA ASP A 117 -1.405 9.476 6.891 1.00 0.00 C ATOM 1825 C ASP A 117 -1.555 9.231 5.380 1.00 0.00 C ATOM 1826 O ASP A 117 -2.133 10.039 4.680 1.00 0.00 O ATOM 1827 CB ASP A 117 0.040 9.892 7.187 1.00 0.00 C ATOM 1828 CG ASP A 117 0.999 8.780 6.760 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.545 7.662 6.594 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.175 9.068 6.603 1.00 0.00 O ATOM 0 H ASP A 117 -1.053 7.499 7.653 1.00 0.00 H new ATOM 0 HA ASP A 117 -2.106 10.262 7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.278 10.814 6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.158 10.097 8.251 1.00 0.00 H new ATOM 1835 N SER A 118 -1.019 8.160 4.853 1.00 0.00 N ATOM 1836 CA SER A 118 -1.128 7.943 3.376 1.00 0.00 C ATOM 1837 C SER A 118 -2.593 7.858 2.953 1.00 0.00 C ATOM 1838 O SER A 118 -2.986 8.459 1.983 1.00 0.01 O ATOM 1839 CB SER A 118 -0.413 6.653 2.958 1.00 0.00 C ATOM 1840 OG SER A 118 -1.259 5.539 3.205 1.00 0.00 O ATOM 0 H SER A 118 -0.518 7.437 5.369 1.00 0.00 H new ATOM 0 HA SER A 118 -0.654 8.792 2.883 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.151 6.696 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.519 6.545 3.513 1.00 0.00 H new ATOM 0 HG SER A 118 -1.630 5.604 4.110 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.399 7.110 3.657 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.835 6.983 3.260 1.00 0.00 C ATOM 1848 C TYR A 119 -5.513 8.355 3.258 1.00 0.01 C ATOM 1849 O TYR A 119 -6.142 8.740 2.292 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.547 6.024 4.242 1.00 0.00 C ATOM 1851 CG TYR A 119 -6.025 4.782 3.522 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.129 4.050 2.735 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.356 4.370 3.635 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.564 2.908 2.060 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.790 3.225 2.962 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.893 2.495 2.173 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.316 1.370 1.500 1.00 0.00 O ATOM 0 H TYR A 119 -3.129 6.582 4.487 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.899 6.577 2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.865 5.745 5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.394 6.531 4.704 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.101 4.369 2.650 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -8.048 4.936 4.241 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.873 2.344 1.451 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.817 2.903 3.050 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.291 1.393 1.404 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.396 9.103 4.316 1.00 0.00 N ATOM 1868 CA ARG A 120 -6.046 10.436 4.325 1.00 0.01 C ATOM 1869 C ARG A 120 -5.452 11.251 3.181 1.00 0.00 C ATOM 1870 O ARG A 120 -6.146 11.946 2.464 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.781 11.123 5.663 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.544 10.382 6.762 1.00 0.01 C ATOM 1873 CD ARG A 120 -6.308 11.068 8.105 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.091 10.361 9.157 1.00 0.01 N ATOM 1875 CZ ARG A 120 -6.881 10.618 10.417 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -5.973 11.489 10.763 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -7.582 10.007 11.333 1.00 0.01 N ATOM 0 H ARG A 120 -4.886 8.853 5.163 1.00 0.00 H new ATOM 0 HA ARG A 120 -7.124 10.344 4.196 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.713 11.124 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.099 12.165 5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.609 10.368 6.532 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -6.215 9.344 6.810 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -5.247 11.054 8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.609 12.114 8.051 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.795 9.673 8.890 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -5.427 11.969 10.047 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.809 11.690 11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.294 9.329 11.062 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -7.418 10.208 12.319 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.169 11.134 2.982 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.517 11.859 1.862 1.00 0.01 C ATOM 1893 C ARG A 121 -3.958 11.233 0.538 1.00 0.01 C ATOM 1894 O ARG A 121 -4.125 11.916 -0.447 1.00 0.01 O ATOM 1895 CB ARG A 121 -2.001 11.759 1.999 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.532 12.639 3.159 1.00 0.00 C ATOM 1897 CD ARG A 121 -0.016 12.511 3.301 1.00 0.00 C ATOM 1898 NE ARG A 121 0.430 13.129 4.595 1.00 0.01 N ATOM 1899 CZ ARG A 121 0.186 14.380 4.879 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -0.302 15.184 3.973 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.482 14.844 6.062 1.00 0.01 N ATOM 0 H ARG A 121 -3.543 10.564 3.551 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.808 12.909 1.886 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.709 10.723 2.174 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.520 12.074 1.073 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.806 13.678 2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.023 12.336 4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.273 11.461 3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.479 13.002 2.463 1.00 0.00 H new ATOM 0 HE ARG A 121 0.937 12.556 5.270 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.496 14.836 3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.489 16.160 4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.902 14.230 6.760 1.00 0.01 H new ATOM 0 HH22 ARG A 121 0.293 15.820 6.289 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.130 9.934 0.499 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.541 9.282 -0.772 1.00 0.01 C ATOM 1917 C PHE A 122 -5.862 9.883 -1.230 1.00 0.01 C ATOM 1918 O PHE A 122 -6.009 10.273 -2.359 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.711 7.760 -0.554 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.183 7.009 -1.745 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.809 6.879 -1.882 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -5.047 6.453 -2.696 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.276 6.191 -2.967 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.516 5.761 -3.791 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.128 5.629 -3.927 1.00 0.00 C ATOM 0 H PHE A 122 -4.003 9.304 1.291 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.776 9.446 -1.530 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.179 7.451 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.763 7.521 -0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.151 7.313 -1.144 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.116 6.557 -2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.206 6.090 -3.070 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.175 5.330 -4.530 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.715 5.095 -4.770 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.822 9.968 -0.357 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.130 10.547 -0.757 1.00 0.00 C ATOM 1937 C LEU A 123 -7.893 11.977 -1.230 1.00 0.01 C ATOM 1938 O LEU A 123 -8.496 12.437 -2.180 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.075 10.545 0.447 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.286 9.107 0.945 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.088 9.137 2.250 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.044 8.283 -0.111 1.00 0.01 C ATOM 0 H LEU A 123 -6.758 9.662 0.614 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.580 9.960 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.660 11.159 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.032 10.987 0.170 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.315 8.643 1.120 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.240 8.118 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.540 9.707 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.055 9.607 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.187 7.266 0.255 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.015 8.740 -0.301 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.468 8.258 -1.036 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.008 12.681 -0.581 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.716 14.085 -0.991 1.00 0.01 C ATOM 1956 C LYS A 124 -5.581 14.093 -2.023 1.00 0.01 C ATOM 1957 O LYS A 124 -5.175 15.132 -2.503 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.297 14.886 0.241 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.484 14.976 1.200 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.089 15.773 2.442 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.289 15.848 3.386 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.692 14.466 3.771 1.00 0.01 N ATOM 0 H LYS A 124 -6.472 12.344 0.219 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.605 14.533 -1.435 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.451 14.406 0.733 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -5.972 15.884 -0.051 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.328 15.454 0.704 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.808 13.976 1.487 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.245 15.297 2.942 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -6.768 16.776 2.160 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -8.034 16.427 4.274 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -9.119 16.360 2.899 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -9.214 14.494 4.670 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -9.300 14.063 3.030 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -7.843 13.875 3.882 1.00 0.01 H new ATOM 1976 N SER A 125 -5.068 12.940 -2.370 1.00 0.00 N ATOM 1977 CA SER A 125 -3.965 12.883 -3.373 1.00 0.01 C ATOM 1978 C SER A 125 -4.543 13.059 -4.775 1.00 0.01 C ATOM 1979 O SER A 125 -5.660 12.667 -5.053 1.00 0.01 O ATOM 1980 CB SER A 125 -3.251 11.534 -3.291 1.00 0.01 C ATOM 1981 OG SER A 125 -2.233 11.479 -4.283 1.00 0.01 O ATOM 0 H SER A 125 -5.366 12.037 -2.002 1.00 0.00 H new ATOM 0 HA SER A 125 -3.253 13.681 -3.162 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.817 11.399 -2.300 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.964 10.723 -3.440 1.00 0.01 H new ATOM 0 HG SER A 125 -1.881 10.566 -4.340 1.00 0.01 H new ATOM 1987 N ARG A 126 -3.793 13.650 -5.657 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.291 13.866 -7.043 1.00 0.01 C ATOM 1989 C ARG A 126 -4.589 12.521 -7.723 1.00 0.00 C ATOM 1990 O ARG A 126 -5.542 12.402 -8.467 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.237 14.631 -7.848 1.00 0.01 C ATOM 1992 CG ARG A 126 -2.979 16.012 -7.219 1.00 0.01 C ATOM 1993 CD ARG A 126 -4.165 16.955 -7.478 1.00 0.01 C ATOM 1994 NE ARG A 126 -3.777 18.352 -7.133 1.00 0.00 N ATOM 1995 CZ ARG A 126 -4.501 19.352 -7.561 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -5.566 19.124 -8.280 1.00 0.01 N ATOM 1997 NH2 ARG A 126 -4.163 20.579 -7.268 1.00 0.01 N ATOM 0 H ARG A 126 -2.850 13.996 -5.478 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.213 14.446 -7.002 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.309 14.060 -7.880 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.573 14.751 -8.878 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -2.820 15.905 -6.146 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.068 16.442 -7.635 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -4.466 16.898 -8.524 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -5.024 16.648 -6.882 1.00 0.01 H new ATOM 0 HE ARG A 126 -2.949 18.527 -6.564 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.832 18.166 -8.507 1.00 0.01 H new ATOM 0 HH12 ARG A 126 -6.132 19.904 -8.615 1.00 0.01 H new ATOM 0 HH21 ARG A 126 -3.332 20.758 -6.704 1.00 0.01 H new ATOM 0 HH22 ARG A 126 -4.730 21.358 -7.603 1.00 0.01 H new ATOM 2011 N PHE A 127 -3.790 11.514 -7.494 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.061 10.201 -8.158 1.00 0.01 C ATOM 2013 C PHE A 127 -5.464 9.733 -7.778 1.00 0.01 C ATOM 2014 O PHE A 127 -6.257 9.369 -8.623 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.039 9.166 -7.687 1.00 0.01 C ATOM 2016 CG PHE A 127 -1.667 9.549 -8.182 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -0.848 10.369 -7.399 1.00 0.00 C ATOM 2018 CD2 PHE A 127 -1.211 9.082 -9.421 1.00 0.01 C ATOM 2019 CE1 PHE A 127 0.426 10.724 -7.854 1.00 0.00 C ATOM 2020 CE2 PHE A 127 0.062 9.436 -9.876 1.00 0.01 C ATOM 2021 CZ PHE A 127 0.883 10.259 -9.093 1.00 0.00 C ATOM 0 H PHE A 127 -2.972 11.539 -6.885 1.00 0.01 H new ATOM 0 HA PHE A 127 -3.986 10.315 -9.239 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.041 9.107 -6.599 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.309 8.178 -8.060 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -1.199 10.728 -6.443 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.843 8.448 -10.025 1.00 0.01 H new ATOM 0 HE1 PHE A 127 1.058 11.357 -7.249 1.00 0.00 H new ATOM 0 HE2 PHE A 127 0.413 9.075 -10.831 1.00 0.01 H new ATOM 0 HZ PHE A 127 1.866 10.534 -9.445 1.00 0.00 H new ATOM 2031 N TYR A 128 -5.783 9.751 -6.514 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.142 9.322 -6.087 1.00 0.01 C ATOM 2033 C TYR A 128 -8.171 10.222 -6.751 1.00 0.01 C ATOM 2034 O TYR A 128 -9.124 9.765 -7.335 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.261 9.457 -4.573 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.640 9.035 -4.118 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.897 7.698 -3.789 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -9.660 9.989 -4.020 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.178 7.317 -3.363 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -10.939 9.608 -3.594 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.197 8.273 -3.267 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.458 7.899 -2.848 1.00 0.01 O ATOM 0 H TYR A 128 -5.162 10.044 -5.760 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.312 8.285 -6.375 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.505 8.842 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.072 10.489 -4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.110 6.962 -3.863 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.461 11.020 -4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.378 6.287 -3.109 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -11.725 10.345 -3.518 1.00 0.01 H new ATOM 0 HH TYR A 128 -13.045 8.684 -2.837 1.00 0.01 H new ATOM 2052 N LEU A 129 -7.984 11.504 -6.669 1.00 0.01 N ATOM 2053 CA LEU A 129 -8.953 12.433 -7.300 1.00 0.01 C ATOM 2054 C LEU A 129 -9.004 12.151 -8.802 1.00 0.01 C ATOM 2055 O LEU A 129 -10.063 12.066 -9.390 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.498 13.870 -7.047 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.604 14.191 -5.548 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -7.917 15.532 -5.269 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.082 14.268 -5.114 1.00 0.01 C ATOM 0 H LEU A 129 -7.201 11.950 -6.192 1.00 0.01 H new ATOM 0 HA LEU A 129 -9.947 12.293 -6.876 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.470 14.001 -7.385 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.113 14.563 -7.621 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.116 13.398 -4.981 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -7.990 15.764 -4.206 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -6.867 15.470 -5.556 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.405 16.318 -5.846 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.137 14.496 -4.050 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.587 15.051 -5.680 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.568 13.311 -5.306 1.00 0.01 H new ATOM 2071 N ASP A 130 -7.869 11.986 -9.429 1.00 0.56 N ATOM 2072 CA ASP A 130 -7.872 11.690 -10.888 1.00 0.91 C ATOM 2073 C ASP A 130 -8.637 10.385 -11.124 1.00 1.05 C ATOM 2074 O ASP A 130 -9.515 10.311 -11.959 1.00 1.91 O ATOM 2075 CB ASP A 130 -6.431 11.552 -11.389 1.00 2.23 C ATOM 2076 CG ASP A 130 -5.750 12.921 -11.370 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -6.456 13.914 -11.442 1.00 3.36 O ATOM 2078 OD2 ASP A 130 -4.533 12.955 -11.282 1.00 3.77 O ATOM 0 H ASP A 130 -6.947 12.043 -8.996 1.00 0.56 H new ATOM 0 HA ASP A 130 -8.355 12.501 -11.432 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -5.882 10.852 -10.759 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -6.424 11.145 -12.400 1.00 2.23 H new ATOM 2083 N LEU A 131 -8.321 9.357 -10.381 1.00 1.16 N ATOM 2084 CA LEU A 131 -9.046 8.064 -10.546 1.00 1.68 C ATOM 2085 C LEU A 131 -10.476 8.227 -10.031 1.00 2.00 C ATOM 2086 O LEU A 131 -11.422 7.723 -10.602 1.00 2.21 O ATOM 2087 CB LEU A 131 -8.350 6.974 -9.726 1.00 2.07 C ATOM 2088 CG LEU A 131 -6.933 6.729 -10.259 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -6.230 5.715 -9.351 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -6.992 6.189 -11.701 1.00 3.54 C ATOM 0 H LEU A 131 -7.592 9.357 -9.667 1.00 1.16 H new ATOM 0 HA LEU A 131 -9.051 7.784 -11.599 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -8.305 7.271 -8.678 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -8.928 6.051 -9.772 1.00 2.07 H new ATOM 0 HG LEU A 131 -6.379 7.668 -10.264 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -5.221 5.533 -9.721 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.179 6.110 -8.336 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -6.789 4.780 -9.349 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -5.980 6.019 -12.068 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -7.545 5.250 -11.716 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -7.493 6.915 -12.341 1.00 3.54 H new ATOM 2102 N THR A 132 -10.626 8.930 -8.941 1.00 2.68 N ATOM 2103 CA THR A 132 -11.972 9.147 -8.337 1.00 3.30 C ATOM 2104 C THR A 132 -12.467 10.544 -8.702 1.00 3.72 C ATOM 2105 O THR A 132 -12.540 11.429 -7.873 1.00 3.94 O ATOM 2106 CB THR A 132 -11.868 9.023 -6.811 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.212 10.175 -6.296 1.00 4.04 O ATOM 2108 CG2 THR A 132 -11.061 7.763 -6.423 1.00 4.63 C ATOM 0 H THR A 132 -9.858 9.371 -8.435 1.00 2.68 H new ATOM 0 HA THR A 132 -12.671 8.402 -8.716 1.00 3.30 H new ATOM 0 HB THR A 132 -12.871 8.940 -6.393 1.00 3.80 H new ATOM 0 HG1 THR A 132 -10.559 9.904 -5.617 1.00 4.04 H new ATOM 0 HG21 THR A 132 -10.998 7.692 -5.337 1.00 4.63 H new ATOM 0 HG22 THR A 132 -11.559 6.877 -6.817 1.00 4.63 H new ATOM 0 HG23 THR A 132 -10.057 7.831 -6.841 1.00 4.63 H new ATOM 2116 N ASN A 133 -12.802 10.740 -9.940 1.00 4.23 N ATOM 2117 CA ASN A 133 -13.293 12.070 -10.390 1.00 4.82 C ATOM 2118 C ASN A 133 -14.767 12.219 -9.974 1.00 5.34 C ATOM 2119 O ASN A 133 -15.474 11.237 -9.876 1.00 5.43 O ATOM 2120 CB ASN A 133 -13.179 12.130 -11.916 1.00 5.42 C ATOM 2121 CG ASN A 133 -11.710 11.990 -12.317 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -10.855 12.664 -11.777 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -11.379 11.136 -13.244 1.00 6.48 N ATOM 0 H ASN A 133 -12.757 10.029 -10.670 1.00 4.23 H new ATOM 0 HA ASN A 133 -12.707 12.872 -9.942 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -13.769 11.333 -12.368 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -13.581 13.073 -12.286 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -10.402 11.033 -13.517 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -12.097 10.571 -13.697 1.00 6.48 H new TER 2130 ASN A 133