USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 621 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 49 HIS :FLIP no HD1:sc= -0.0311 F(o=-1,f=0.18) USER MOD Set 1.2: A 63 GLN : amide:sc= 0.207 K(o=0.18,f=-3) USER MOD Set 2.1: A 26 CYS SG : rot 101:sc= -2.57! USER MOD Set 2.2: A 30 TYR OH : rot 155:sc= 0.26 USER MOD Set 2.3: A 62 HIS : no HD1:sc= -0.395 K(o=-2.7,f=-4.3) USER MOD Set 3.1: A 5 SER OG : rot -111:sc= 0.246 USER MOD Set 3.2: A 77 ASN : amide:sc= 0.556 K(o=0.8,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0745 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0904 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.731 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -109:sc= -0.431 (180deg=-1.96) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.022 K(o=0.022,f=-1.8) USER MOD Single : A 29 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0032) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0425 K(o=-0.043,f=-0.76) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 102:sc= 1.34 USER MOD Single : A 43 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.038) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0055 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.108 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.454 8.291 5.422 1.00 0.00 N ATOM 2 CA GLY A 1 -5.349 7.717 4.094 1.00 0.00 C ATOM 3 C GLY A 1 -6.690 7.633 3.391 1.00 0.00 C ATOM 4 O GLY A 1 -7.731 7.891 3.994 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.914 9.179 5.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.453 8.483 5.639 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.070 7.623 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.665 8.318 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.917 6.719 4.166 1.00 0.00 H new ATOM 8 N SER A 2 -6.664 7.271 2.113 1.00 0.00 N ATOM 9 CA SER A 2 -7.887 7.158 1.326 1.00 0.00 C ATOM 10 C SER A 2 -7.588 6.612 -0.067 1.00 0.00 C ATOM 11 O SER A 2 -8.072 7.138 -1.069 1.00 0.00 O ATOM 12 CB SER A 2 -8.575 8.520 1.216 1.00 0.00 C ATOM 13 OG SER A 2 -9.972 8.372 1.033 1.00 0.00 O ATOM 0 H SER A 2 -5.810 7.051 1.600 1.00 0.00 H new ATOM 0 HA SER A 2 -8.554 6.462 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.383 9.102 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.153 9.078 0.380 1.00 0.00 H new ATOM 0 HG SER A 2 -10.389 9.256 0.967 1.00 0.00 H new ATOM 19 N SER A 3 -6.786 5.553 -0.122 1.00 0.00 N ATOM 20 CA SER A 3 -6.418 4.938 -1.391 1.00 0.00 C ATOM 21 C SER A 3 -6.908 3.494 -1.457 1.00 0.00 C ATOM 22 O SER A 3 -7.321 2.921 -0.450 1.00 0.00 O ATOM 23 CB SER A 3 -4.901 4.983 -1.584 1.00 0.00 C ATOM 24 OG SER A 3 -4.564 5.480 -2.867 1.00 0.00 O ATOM 0 H SER A 3 -6.379 5.103 0.698 1.00 0.00 H new ATOM 0 HA SER A 3 -6.895 5.503 -2.192 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.452 5.614 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.485 3.983 -1.457 1.00 0.00 H new ATOM 0 HG SER A 3 -3.589 5.500 -2.964 1.00 0.00 H new ATOM 30 N GLY A 4 -6.858 2.912 -2.651 1.00 0.00 N ATOM 31 CA GLY A 4 -7.299 1.541 -2.828 1.00 0.00 C ATOM 32 C GLY A 4 -6.360 0.738 -3.707 1.00 0.00 C ATOM 33 O GLY A 4 -5.192 0.549 -3.368 1.00 0.00 O ATOM 0 H GLY A 4 -6.520 3.366 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.379 1.060 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.296 1.537 -3.269 1.00 0.00 H new ATOM 37 N SER A 5 -6.872 0.264 -4.838 1.00 0.00 N ATOM 38 CA SER A 5 -6.072 -0.528 -5.765 1.00 0.00 C ATOM 39 C SER A 5 -5.749 0.272 -7.024 1.00 0.00 C ATOM 40 O SER A 5 -4.608 0.289 -7.486 1.00 0.00 O ATOM 41 CB SER A 5 -6.812 -1.813 -6.141 1.00 0.00 C ATOM 42 OG SER A 5 -6.378 -2.303 -7.398 1.00 0.00 O ATOM 0 H SER A 5 -7.836 0.414 -5.135 1.00 0.00 H new ATOM 0 HA SER A 5 -5.137 -0.787 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.645 -2.570 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.885 -1.623 -6.172 1.00 0.00 H new ATOM 0 HG SER A 5 -7.098 -2.202 -8.055 1.00 0.00 H new ATOM 48 N SER A 6 -6.762 0.935 -7.573 1.00 0.00 N ATOM 49 CA SER A 6 -6.587 1.734 -8.780 1.00 0.00 C ATOM 50 C SER A 6 -6.172 0.857 -9.957 1.00 0.00 C ATOM 51 O SER A 6 -5.128 1.075 -10.570 1.00 0.00 O ATOM 52 CB SER A 6 -5.540 2.825 -8.547 1.00 0.00 C ATOM 53 OG SER A 6 -5.813 3.550 -7.360 1.00 0.00 O ATOM 0 H SER A 6 -7.712 0.935 -7.201 1.00 0.00 H new ATOM 0 HA SER A 6 -7.542 2.202 -9.018 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.550 2.375 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.525 3.506 -9.398 1.00 0.00 H new ATOM 0 HG SER A 6 -5.129 4.240 -7.233 1.00 0.00 H new ATOM 59 N GLY A 7 -6.999 -0.137 -10.268 1.00 0.00 N ATOM 60 CA GLY A 7 -6.701 -1.032 -11.370 1.00 0.00 C ATOM 61 C GLY A 7 -7.298 -0.558 -12.680 1.00 0.00 C ATOM 62 O GLY A 7 -6.597 -0.446 -13.686 1.00 0.00 O ATOM 0 H GLY A 7 -7.870 -0.338 -9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.620 -1.122 -11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.082 -2.027 -11.139 1.00 0.00 H new ATOM 66 N VAL A 8 -8.598 -0.279 -12.670 1.00 0.00 N ATOM 67 CA VAL A 8 -9.290 0.185 -13.867 1.00 0.00 C ATOM 68 C VAL A 8 -8.684 1.486 -14.381 1.00 0.00 C ATOM 69 O VAL A 8 -8.781 1.801 -15.567 1.00 0.00 O ATOM 70 CB VAL A 8 -10.791 0.401 -13.599 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.524 0.719 -14.893 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.392 -0.821 -12.922 1.00 0.00 C ATOM 0 H VAL A 8 -9.193 -0.366 -11.846 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.172 -0.591 -14.623 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.904 1.252 -12.927 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.583 0.868 -14.684 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.109 1.626 -15.333 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.405 -0.109 -15.591 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.453 -0.651 -12.740 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.269 -1.691 -13.567 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.885 -0.998 -11.973 1.00 0.00 H new ATOM 82 N SER A 9 -8.058 2.238 -13.481 1.00 0.00 N ATOM 83 CA SER A 9 -7.438 3.507 -13.844 1.00 0.00 C ATOM 84 C SER A 9 -6.166 3.279 -14.653 1.00 0.00 C ATOM 85 O SER A 9 -5.761 4.127 -15.450 1.00 0.00 O ATOM 86 CB SER A 9 -7.119 4.320 -12.587 1.00 0.00 C ATOM 87 OG SER A 9 -7.787 3.792 -11.455 1.00 0.00 O ATOM 0 H SER A 9 -7.967 1.991 -12.496 1.00 0.00 H new ATOM 0 HA SER A 9 -8.143 4.065 -14.460 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.043 4.318 -12.412 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.415 5.358 -12.737 1.00 0.00 H new ATOM 0 HG SER A 9 -7.565 4.328 -10.665 1.00 0.00 H new ATOM 93 N LYS A 10 -5.537 2.127 -14.443 1.00 0.00 N ATOM 94 CA LYS A 10 -4.311 1.784 -15.153 1.00 0.00 C ATOM 95 C LYS A 10 -4.579 0.734 -16.227 1.00 0.00 C ATOM 96 O LYS A 10 -3.675 0.004 -16.634 1.00 0.00 O ATOM 97 CB LYS A 10 -3.257 1.267 -14.171 1.00 0.00 C ATOM 98 CG LYS A 10 -3.061 2.164 -12.961 1.00 0.00 C ATOM 99 CD LYS A 10 -1.594 2.503 -12.750 1.00 0.00 C ATOM 100 CE LYS A 10 -1.242 2.555 -11.271 1.00 0.00 C ATOM 101 NZ LYS A 10 -0.137 3.515 -10.998 1.00 0.00 N ATOM 0 H LYS A 10 -5.857 1.415 -13.786 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.937 2.686 -15.637 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.545 0.272 -13.832 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.306 1.163 -14.693 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.633 3.083 -13.092 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.452 1.669 -12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.972 1.759 -13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.371 3.465 -13.212 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.123 2.843 -10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.952 1.561 -10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.073 3.522 -9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.712 3.226 -11.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.423 4.469 -11.298 1.00 0.00 H new ATOM 115 N TRP A 11 -5.824 0.666 -16.682 1.00 0.00 N ATOM 116 CA TRP A 11 -6.210 -0.294 -17.710 1.00 0.00 C ATOM 117 C TRP A 11 -5.664 0.119 -19.073 1.00 0.00 C ATOM 118 O TRP A 11 -5.828 1.263 -19.496 1.00 0.00 O ATOM 119 CB TRP A 11 -7.733 -0.420 -17.774 1.00 0.00 C ATOM 120 CG TRP A 11 -8.261 -1.619 -17.046 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.687 -2.248 -15.978 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.468 -2.334 -17.334 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.464 -3.311 -15.585 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.563 -3.384 -16.400 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.478 -2.188 -18.288 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.627 -4.282 -16.396 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.533 -3.080 -18.283 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.602 -4.116 -17.342 1.00 0.00 C ATOM 0 H TRP A 11 -6.584 1.264 -16.356 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.783 -1.262 -17.446 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.183 0.479 -17.353 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.043 -0.472 -18.818 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.759 -1.953 -15.511 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.256 -3.943 -14.812 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.435 -1.392 -19.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.681 -5.081 -15.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.318 -2.977 -19.017 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.440 -4.796 -17.364 1.00 0.00 H new ATOM 139 N SER A 12 -5.016 -0.820 -19.755 1.00 0.00 N ATOM 140 CA SER A 12 -4.443 -0.552 -21.069 1.00 0.00 C ATOM 141 C SER A 12 -5.525 -0.126 -22.057 1.00 0.00 C ATOM 142 O SER A 12 -6.716 -0.366 -21.854 1.00 0.00 O ATOM 143 CB SER A 12 -3.715 -1.791 -21.594 1.00 0.00 C ATOM 144 OG SER A 12 -4.487 -2.456 -22.579 1.00 0.00 O ATOM 0 H SER A 12 -4.875 -1.773 -19.420 1.00 0.00 H new ATOM 0 HA SER A 12 -3.728 0.264 -20.967 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.753 -1.500 -22.016 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.508 -2.472 -20.769 1.00 0.00 H new ATOM 0 HG SER A 12 -4.000 -3.243 -22.900 1.00 0.00 H new ATOM 150 N PRO A 13 -5.103 0.521 -23.153 1.00 0.00 N ATOM 151 CA PRO A 13 -6.019 0.993 -24.195 1.00 0.00 C ATOM 152 C PRO A 13 -6.634 -0.154 -24.990 1.00 0.00 C ATOM 153 O PRO A 13 -7.674 0.009 -25.628 1.00 0.00 O ATOM 154 CB PRO A 13 -5.122 1.847 -25.095 1.00 0.00 C ATOM 155 CG PRO A 13 -3.751 1.302 -24.890 1.00 0.00 C ATOM 156 CD PRO A 13 -3.699 0.841 -23.460 1.00 0.00 C ATOM 0 HA PRO A 13 -6.867 1.535 -23.777 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.425 1.774 -26.140 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.174 2.901 -24.821 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.553 0.477 -25.574 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.995 2.064 -25.082 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.053 -0.029 -23.342 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.311 1.618 -22.801 1.00 0.00 H new ATOM 164 N SER A 14 -5.985 -1.313 -24.946 1.00 0.00 N ATOM 165 CA SER A 14 -6.467 -2.486 -25.665 1.00 0.00 C ATOM 166 C SER A 14 -7.331 -3.360 -24.761 1.00 0.00 C ATOM 167 O SER A 14 -8.196 -4.096 -25.235 1.00 0.00 O ATOM 168 CB SER A 14 -5.289 -3.300 -26.204 1.00 0.00 C ATOM 169 OG SER A 14 -5.060 -3.020 -27.574 1.00 0.00 O ATOM 0 H SER A 14 -5.124 -1.465 -24.420 1.00 0.00 H new ATOM 0 HA SER A 14 -7.076 -2.144 -26.501 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.392 -3.072 -25.628 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.489 -4.364 -26.075 1.00 0.00 H new ATOM 0 HG SER A 14 -4.301 -3.551 -27.894 1.00 0.00 H new ATOM 175 N GLN A 15 -7.090 -3.272 -23.457 1.00 0.00 N ATOM 176 CA GLN A 15 -7.845 -4.055 -22.486 1.00 0.00 C ATOM 177 C GLN A 15 -9.309 -3.626 -22.461 1.00 0.00 C ATOM 178 O GLN A 15 -10.212 -4.463 -22.471 1.00 0.00 O ATOM 179 CB GLN A 15 -7.234 -3.906 -21.092 1.00 0.00 C ATOM 180 CG GLN A 15 -5.999 -4.765 -20.874 1.00 0.00 C ATOM 181 CD GLN A 15 -6.277 -5.978 -20.008 1.00 0.00 C ATOM 182 OE1 GLN A 15 -6.768 -6.999 -20.489 1.00 0.00 O ATOM 183 NE2 GLN A 15 -5.964 -5.871 -18.722 1.00 0.00 N ATOM 0 H GLN A 15 -6.378 -2.666 -23.049 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.797 -5.102 -22.786 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.973 -2.860 -20.929 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.984 -4.167 -20.346 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.614 -5.093 -21.840 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.219 -4.162 -20.409 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.559 -5.005 -18.366 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.129 -6.655 -18.090 1.00 0.00 H new ATOM 192 N VAL A 16 -9.536 -2.317 -22.428 1.00 0.00 N ATOM 193 CA VAL A 16 -10.890 -1.777 -22.402 1.00 0.00 C ATOM 194 C VAL A 16 -11.738 -2.365 -23.524 1.00 0.00 C ATOM 195 O VAL A 16 -12.948 -2.539 -23.377 1.00 0.00 O ATOM 196 CB VAL A 16 -10.884 -0.242 -22.528 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.305 0.301 -22.517 1.00 0.00 C ATOM 198 CG2 VAL A 16 -10.058 0.381 -21.413 1.00 0.00 C ATOM 0 H VAL A 16 -8.800 -1.611 -22.419 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.323 -2.054 -21.441 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.426 0.025 -23.481 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.280 1.387 -22.607 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.862 -0.120 -23.354 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.793 0.025 -21.582 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.065 1.466 -21.518 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.484 0.107 -20.448 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.032 0.017 -21.473 1.00 0.00 H new ATOM 208 N VAL A 17 -11.095 -2.670 -24.647 1.00 0.00 N ATOM 209 CA VAL A 17 -11.789 -3.240 -25.795 1.00 0.00 C ATOM 210 C VAL A 17 -12.403 -4.592 -25.450 1.00 0.00 C ATOM 211 O VAL A 17 -13.513 -4.909 -25.877 1.00 0.00 O ATOM 212 CB VAL A 17 -10.841 -3.411 -26.996 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.600 -3.937 -28.205 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.151 -2.095 -27.321 1.00 0.00 C ATOM 0 H VAL A 17 -10.094 -2.532 -24.786 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.582 -2.542 -26.064 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.076 -4.141 -26.732 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.914 -4.051 -29.044 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.043 -4.903 -27.964 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.388 -3.234 -28.474 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.485 -2.234 -28.172 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.900 -1.342 -27.566 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.573 -1.764 -26.458 1.00 0.00 H new ATOM 224 N ASP A 18 -11.674 -5.386 -24.673 1.00 0.00 N ATOM 225 CA ASP A 18 -12.147 -6.704 -24.268 1.00 0.00 C ATOM 226 C ASP A 18 -13.349 -6.588 -23.336 1.00 0.00 C ATOM 227 O ASP A 18 -14.184 -7.490 -23.270 1.00 0.00 O ATOM 228 CB ASP A 18 -11.025 -7.483 -23.579 1.00 0.00 C ATOM 229 CG ASP A 18 -11.285 -8.976 -23.556 1.00 0.00 C ATOM 230 OD1 ASP A 18 -11.912 -9.455 -22.587 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.864 -9.666 -24.508 1.00 0.00 O ATOM 0 H ASP A 18 -10.753 -5.139 -24.311 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.456 -7.243 -25.164 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.084 -7.289 -24.093 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.910 -7.122 -22.557 1.00 0.00 H new ATOM 236 N TRP A 19 -13.429 -5.473 -22.618 1.00 0.00 N ATOM 237 CA TRP A 19 -14.528 -5.240 -21.689 1.00 0.00 C ATOM 238 C TRP A 19 -15.836 -5.010 -22.440 1.00 0.00 C ATOM 239 O TRP A 19 -16.878 -5.547 -22.067 1.00 0.00 O ATOM 240 CB TRP A 19 -14.221 -4.038 -20.795 1.00 0.00 C ATOM 241 CG TRP A 19 -15.367 -3.646 -19.912 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.907 -4.381 -18.896 1.00 0.00 C ATOM 243 CD2 TRP A 19 -16.114 -2.426 -19.968 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.945 -3.692 -18.317 1.00 0.00 N ATOM 245 CE2 TRP A 19 -17.092 -2.489 -18.956 1.00 0.00 C ATOM 246 CE3 TRP A 19 -16.052 -1.286 -20.774 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.998 -1.456 -18.731 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.952 -0.262 -20.550 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.914 -0.352 -19.535 1.00 0.00 C ATOM 0 H TRP A 19 -12.746 -4.717 -22.662 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.639 -6.128 -21.066 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.355 -4.268 -20.174 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.947 -3.189 -21.421 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.568 -5.360 -18.592 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.514 -4.023 -17.538 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.314 -1.207 -21.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.741 -1.524 -17.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.913 0.623 -21.168 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.603 0.466 -19.384 1.00 0.00 H new ATOM 260 N MET A 20 -15.772 -4.209 -23.498 1.00 0.00 N ATOM 261 CA MET A 20 -16.952 -3.910 -24.302 1.00 0.00 C ATOM 262 C MET A 20 -17.504 -5.176 -24.949 1.00 0.00 C ATOM 263 O MET A 20 -18.682 -5.243 -25.301 1.00 0.00 O ATOM 264 CB MET A 20 -16.613 -2.878 -25.380 1.00 0.00 C ATOM 265 CG MET A 20 -16.035 -1.587 -24.824 1.00 0.00 C ATOM 266 SD MET A 20 -17.288 -0.316 -24.573 1.00 0.00 S ATOM 267 CE MET A 20 -17.751 0.043 -26.266 1.00 0.00 C ATOM 0 H MET A 20 -14.917 -3.755 -23.819 1.00 0.00 H new ATOM 0 HA MET A 20 -17.716 -3.498 -23.642 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.899 -3.315 -26.078 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.515 -2.648 -25.948 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.539 -1.794 -23.876 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.273 -1.211 -25.507 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.378 1.029 -26.544 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.320 -0.708 -26.928 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.837 0.027 -26.357 1.00 0.00 H new ATOM 277 N LYS A 21 -16.646 -6.179 -25.103 1.00 0.00 N ATOM 278 CA LYS A 21 -17.048 -7.444 -25.707 1.00 0.00 C ATOM 279 C LYS A 21 -18.039 -8.183 -24.814 1.00 0.00 C ATOM 280 O LYS A 21 -18.683 -9.140 -25.243 1.00 0.00 O ATOM 281 CB LYS A 21 -15.821 -8.323 -25.962 1.00 0.00 C ATOM 282 CG LYS A 21 -14.849 -7.734 -26.969 1.00 0.00 C ATOM 283 CD LYS A 21 -13.994 -8.811 -27.615 1.00 0.00 C ATOM 284 CE LYS A 21 -12.897 -8.208 -28.479 1.00 0.00 C ATOM 285 NZ LYS A 21 -11.570 -8.823 -28.199 1.00 0.00 N ATOM 0 H LYS A 21 -15.667 -6.140 -24.818 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.535 -7.226 -26.657 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.299 -8.486 -25.019 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.151 -9.299 -26.317 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.403 -7.197 -27.739 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.206 -7.007 -26.473 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.547 -9.435 -26.841 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.623 -9.460 -28.224 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.146 -8.346 -29.531 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.844 -7.134 -28.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.849 -8.385 -28.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.320 -8.670 -27.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.613 -9.844 -28.392 1.00 0.00 H new ATOM 299 N GLY A 22 -18.159 -7.731 -23.569 1.00 0.00 N ATOM 300 CA GLY A 22 -19.075 -8.360 -22.636 1.00 0.00 C ATOM 301 C GLY A 22 -20.187 -7.428 -22.197 1.00 0.00 C ATOM 302 O GLY A 22 -20.795 -7.628 -21.145 1.00 0.00 O ATOM 0 H GLY A 22 -17.638 -6.940 -23.190 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.509 -9.246 -23.100 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.521 -8.698 -21.760 1.00 0.00 H new ATOM 306 N LEU A 23 -20.452 -6.406 -23.003 1.00 0.00 N ATOM 307 CA LEU A 23 -21.498 -5.438 -22.691 1.00 0.00 C ATOM 308 C LEU A 23 -22.646 -5.536 -23.690 1.00 0.00 C ATOM 309 O LEU A 23 -22.706 -6.467 -24.493 1.00 0.00 O ATOM 310 CB LEU A 23 -20.924 -4.020 -22.694 1.00 0.00 C ATOM 311 CG LEU A 23 -19.661 -3.805 -21.860 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.240 -2.344 -21.895 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.884 -4.264 -20.427 1.00 0.00 C ATOM 0 H LEU A 23 -19.958 -6.226 -23.877 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.885 -5.665 -21.698 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.707 -3.740 -23.725 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.694 -3.337 -22.334 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.858 -4.403 -22.291 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.339 -2.210 -21.296 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -19.038 -2.048 -22.924 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -20.040 -1.725 -21.490 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.975 -4.104 -19.848 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.701 -3.694 -19.985 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.136 -5.324 -20.420 1.00 0.00 H new ATOM 325 N ASP A 24 -23.555 -4.568 -23.636 1.00 0.00 N ATOM 326 CA ASP A 24 -24.701 -4.544 -24.538 1.00 0.00 C ATOM 327 C ASP A 24 -24.252 -4.682 -25.989 1.00 0.00 C ATOM 328 O ASP A 24 -23.168 -4.231 -26.360 1.00 0.00 O ATOM 329 CB ASP A 24 -25.491 -3.247 -24.357 1.00 0.00 C ATOM 330 CG ASP A 24 -26.984 -3.489 -24.252 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.577 -3.979 -25.237 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.560 -3.190 -23.185 1.00 0.00 O ATOM 0 H ASP A 24 -23.520 -3.790 -22.977 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.344 -5.389 -24.293 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.145 -2.736 -23.459 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.292 -2.583 -25.198 1.00 0.00 H new ATOM 337 N ASP A 25 -25.092 -5.310 -26.805 1.00 0.00 N ATOM 338 CA ASP A 25 -24.783 -5.508 -28.216 1.00 0.00 C ATOM 339 C ASP A 25 -24.705 -4.172 -28.948 1.00 0.00 C ATOM 340 O ASP A 25 -23.948 -4.023 -29.908 1.00 0.00 O ATOM 341 CB ASP A 25 -25.837 -6.402 -28.871 1.00 0.00 C ATOM 342 CG ASP A 25 -25.274 -7.743 -29.300 1.00 0.00 C ATOM 343 OD1 ASP A 25 -25.227 -8.663 -28.457 1.00 0.00 O ATOM 344 OD2 ASP A 25 -24.881 -7.871 -30.478 1.00 0.00 O ATOM 0 H ASP A 25 -25.992 -5.691 -26.513 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.811 -5.996 -28.284 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.658 -6.563 -28.172 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.253 -5.891 -29.739 1.00 0.00 H new ATOM 349 N CYS A 26 -25.492 -3.206 -28.490 1.00 0.00 N ATOM 350 CA CYS A 26 -25.514 -1.882 -29.103 1.00 0.00 C ATOM 351 C CYS A 26 -24.182 -1.167 -28.899 1.00 0.00 C ATOM 352 O CYS A 26 -23.835 -0.253 -29.648 1.00 0.00 O ATOM 353 CB CYS A 26 -26.651 -1.045 -28.517 1.00 0.00 C ATOM 354 SG CYS A 26 -26.406 -0.573 -26.789 1.00 0.00 S ATOM 0 H CYS A 26 -26.124 -3.314 -27.696 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.679 -2.006 -30.173 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.769 -0.142 -29.116 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -27.581 -1.607 -28.601 1.00 0.00 H new ATOM 0 HG CYS A 26 -25.992 0.658 -26.730 1.00 0.00 H new ATOM 360 N LEU A 27 -23.441 -1.588 -27.880 1.00 0.00 N ATOM 361 CA LEU A 27 -22.147 -0.986 -27.576 1.00 0.00 C ATOM 362 C LEU A 27 -21.014 -1.776 -28.223 1.00 0.00 C ATOM 363 O LEU A 27 -19.865 -1.698 -27.789 1.00 0.00 O ATOM 364 CB LEU A 27 -21.937 -0.918 -26.062 1.00 0.00 C ATOM 365 CG LEU A 27 -23.143 -0.467 -25.237 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.832 -0.543 -23.751 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.557 0.945 -25.626 1.00 0.00 C ATOM 0 H LEU A 27 -23.713 -2.343 -27.251 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.139 0.025 -27.983 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.632 -1.904 -25.713 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -21.109 -0.238 -25.860 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.975 -1.139 -25.447 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.702 -0.218 -23.180 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.585 -1.570 -23.483 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.986 0.105 -23.523 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.417 1.250 -25.029 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.729 1.630 -25.445 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.823 0.968 -26.683 1.00 0.00 H new ATOM 379 N GLN A 28 -21.346 -2.535 -29.262 1.00 0.00 N ATOM 380 CA GLN A 28 -20.355 -3.337 -29.969 1.00 0.00 C ATOM 381 C GLN A 28 -19.767 -2.564 -31.145 1.00 0.00 C ATOM 382 O GLN A 28 -18.552 -2.547 -31.342 1.00 0.00 O ATOM 383 CB GLN A 28 -20.983 -4.641 -30.464 1.00 0.00 C ATOM 384 CG GLN A 28 -21.497 -5.532 -29.345 1.00 0.00 C ATOM 385 CD GLN A 28 -20.383 -6.072 -28.470 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.366 -6.556 -28.968 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.568 -5.991 -27.158 1.00 0.00 N ATOM 0 H GLN A 28 -22.293 -2.611 -29.633 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.550 -3.571 -29.272 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.807 -4.405 -31.137 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.244 -5.192 -31.046 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.197 -4.967 -28.729 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.052 -6.365 -29.775 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.426 -5.582 -26.788 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.852 -6.337 -26.520 1.00 0.00 H new ATOM 396 N GLN A 29 -20.636 -1.927 -31.922 1.00 0.00 N ATOM 397 CA GLN A 29 -20.202 -1.153 -33.079 1.00 0.00 C ATOM 398 C GLN A 29 -19.183 -0.093 -32.674 1.00 0.00 C ATOM 399 O GLN A 29 -18.355 0.328 -33.482 1.00 0.00 O ATOM 400 CB GLN A 29 -21.403 -0.491 -33.757 1.00 0.00 C ATOM 401 CG GLN A 29 -22.193 0.425 -32.836 1.00 0.00 C ATOM 402 CD GLN A 29 -23.653 0.531 -33.230 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.977 0.890 -34.362 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.543 0.218 -32.295 1.00 0.00 N ATOM 0 H GLN A 29 -21.645 -1.931 -31.772 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.728 -1.836 -33.784 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.054 0.083 -34.615 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.066 -1.266 -34.141 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.123 0.054 -31.813 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.745 1.419 -32.846 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.229 -0.075 -31.370 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.540 0.270 -32.502 1.00 0.00 H new ATOM 413 N TYR A 30 -19.251 0.335 -31.418 1.00 0.00 N ATOM 414 CA TYR A 30 -18.336 1.349 -30.906 1.00 0.00 C ATOM 415 C TYR A 30 -16.957 0.753 -30.640 1.00 0.00 C ATOM 416 O TYR A 30 -15.948 1.459 -30.665 1.00 0.00 O ATOM 417 CB TYR A 30 -18.893 1.967 -29.623 1.00 0.00 C ATOM 418 CG TYR A 30 -20.289 2.527 -29.777 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.642 3.266 -30.899 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.255 2.317 -28.800 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.916 3.780 -31.044 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.532 2.826 -28.937 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.858 3.558 -30.060 1.00 0.00 C ATOM 424 OH TYR A 30 -24.128 4.067 -30.201 1.00 0.00 O ATOM 0 H TYR A 30 -19.930 -0.004 -30.736 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.236 2.127 -31.662 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.899 1.211 -28.838 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.225 2.763 -29.294 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.908 3.442 -31.671 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.003 1.746 -27.919 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.174 4.353 -31.923 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.271 2.652 -28.169 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.757 3.525 -29.681 1.00 0.00 H new ATOM 434 N ILE A 31 -16.922 -0.550 -30.385 1.00 0.00 N ATOM 435 CA ILE A 31 -15.667 -1.242 -30.116 1.00 0.00 C ATOM 436 C ILE A 31 -14.637 -0.956 -31.204 1.00 0.00 C ATOM 437 O ILE A 31 -13.485 -0.635 -30.915 1.00 0.00 O ATOM 438 CB ILE A 31 -15.875 -2.764 -30.009 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.906 -3.085 -28.925 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.555 -3.460 -29.713 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.206 -4.562 -28.794 1.00 0.00 C ATOM 0 H ILE A 31 -17.748 -1.148 -30.359 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.298 -0.866 -29.162 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.252 -3.132 -30.963 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.544 -2.710 -27.968 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.831 -2.553 -29.146 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.719 -4.535 -29.640 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.847 -3.254 -30.516 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.152 -3.090 -28.770 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.945 -4.715 -28.007 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.599 -4.939 -29.738 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.291 -5.098 -28.542 1.00 0.00 H new ATOM 453 N LYS A 32 -15.062 -1.074 -32.458 1.00 0.00 N ATOM 454 CA LYS A 32 -14.179 -0.826 -33.591 1.00 0.00 C ATOM 455 C LYS A 32 -13.579 0.575 -33.517 1.00 0.00 C ATOM 456 O LYS A 32 -12.495 0.825 -34.043 1.00 0.00 O ATOM 457 CB LYS A 32 -14.943 -0.995 -34.906 1.00 0.00 C ATOM 458 CG LYS A 32 -15.452 -2.408 -35.136 1.00 0.00 C ATOM 459 CD LYS A 32 -14.405 -3.275 -35.815 1.00 0.00 C ATOM 460 CE LYS A 32 -15.040 -4.255 -36.790 1.00 0.00 C ATOM 461 NZ LYS A 32 -14.270 -5.526 -36.878 1.00 0.00 N ATOM 0 H LYS A 32 -16.013 -1.340 -32.715 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.368 -1.553 -33.553 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.788 -0.307 -34.916 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.292 -0.713 -35.734 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.732 -2.854 -34.182 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.352 -2.376 -35.749 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.695 -2.641 -36.346 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.841 -3.824 -35.061 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.061 -4.470 -36.476 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.100 -3.798 -37.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.735 -6.167 -37.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.303 -5.324 -37.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.234 -5.976 -35.941 1.00 0.00 H new ATOM 475 N ASN A 33 -14.290 1.484 -32.859 1.00 0.00 N ATOM 476 CA ASN A 33 -13.827 2.860 -32.715 1.00 0.00 C ATOM 477 C ASN A 33 -12.919 3.003 -31.497 1.00 0.00 C ATOM 478 O ASN A 33 -12.044 3.868 -31.459 1.00 0.00 O ATOM 479 CB ASN A 33 -15.019 3.811 -32.592 1.00 0.00 C ATOM 480 CG ASN A 33 -15.895 3.802 -33.829 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.433 3.500 -34.929 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.169 4.135 -33.654 1.00 0.00 N ATOM 0 H ASN A 33 -15.189 1.293 -32.417 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.255 3.120 -33.605 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.617 3.530 -31.725 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.656 4.823 -32.414 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.807 4.147 -34.450 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.509 4.378 -32.724 1.00 0.00 H new ATOM 489 N PHE A 34 -13.134 2.149 -30.502 1.00 0.00 N ATOM 490 CA PHE A 34 -12.336 2.180 -29.281 1.00 0.00 C ATOM 491 C PHE A 34 -10.965 1.553 -29.512 1.00 0.00 C ATOM 492 O PHE A 34 -9.994 1.894 -28.837 1.00 0.00 O ATOM 493 CB PHE A 34 -13.063 1.444 -28.153 1.00 0.00 C ATOM 494 CG PHE A 34 -13.967 2.330 -27.345 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.990 3.039 -27.954 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.795 2.454 -25.976 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.823 3.855 -27.213 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.625 3.268 -25.229 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.641 3.969 -25.848 1.00 0.00 C ATOM 0 H PHE A 34 -13.854 1.427 -30.517 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.196 3.222 -28.994 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.651 0.631 -28.580 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.325 0.991 -27.491 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.138 2.953 -29.020 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.002 1.908 -25.486 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.616 4.403 -27.700 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.479 3.356 -24.162 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.292 4.605 -25.267 1.00 0.00 H new ATOM 509 N GLU A 35 -10.894 0.634 -30.470 1.00 0.00 N ATOM 510 CA GLU A 35 -9.642 -0.041 -30.789 1.00 0.00 C ATOM 511 C GLU A 35 -8.638 0.932 -31.400 1.00 0.00 C ATOM 512 O GLU A 35 -7.457 0.922 -31.053 1.00 0.00 O ATOM 513 CB GLU A 35 -9.894 -1.202 -31.753 1.00 0.00 C ATOM 514 CG GLU A 35 -9.348 -2.532 -31.261 1.00 0.00 C ATOM 515 CD GLU A 35 -7.835 -2.541 -31.160 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.298 -1.869 -30.254 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.189 -3.218 -31.986 1.00 0.00 O ATOM 0 H GLU A 35 -11.689 0.340 -31.038 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.224 -0.432 -29.861 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.967 -1.299 -31.919 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.442 -0.968 -32.717 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.775 -2.756 -30.283 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.668 -3.324 -31.938 1.00 0.00 H new ATOM 524 N ARG A 36 -9.117 1.773 -32.311 1.00 0.00 N ATOM 525 CA ARG A 36 -8.263 2.752 -32.971 1.00 0.00 C ATOM 526 C ARG A 36 -7.984 3.938 -32.052 1.00 0.00 C ATOM 527 O ARG A 36 -6.867 4.453 -32.011 1.00 0.00 O ATOM 528 CB ARG A 36 -8.916 3.239 -34.266 1.00 0.00 C ATOM 529 CG ARG A 36 -7.929 3.828 -35.261 1.00 0.00 C ATOM 530 CD ARG A 36 -8.644 4.494 -36.427 1.00 0.00 C ATOM 531 NE ARG A 36 -7.766 4.667 -37.581 1.00 0.00 N ATOM 532 CZ ARG A 36 -8.039 5.478 -38.597 1.00 0.00 C ATOM 533 NH1 ARG A 36 -9.160 6.187 -38.601 1.00 0.00 N ATOM 534 NH2 ARG A 36 -7.190 5.583 -39.611 1.00 0.00 N ATOM 0 H ARG A 36 -10.092 1.796 -32.609 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.316 2.268 -33.209 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.439 2.406 -34.735 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.667 3.991 -34.024 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.294 4.557 -34.757 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.275 3.041 -35.636 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.506 3.893 -36.715 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.024 5.466 -36.112 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.896 4.136 -37.608 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.815 6.110 -37.823 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.367 6.809 -39.382 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.326 5.041 -39.611 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.401 6.206 -40.390 1.00 0.00 H new ATOM 548 N GLU A 37 -9.007 4.365 -31.319 1.00 0.00 N ATOM 549 CA GLU A 37 -8.871 5.491 -30.402 1.00 0.00 C ATOM 550 C GLU A 37 -7.959 5.133 -29.232 1.00 0.00 C ATOM 551 O GLU A 37 -7.403 6.011 -28.572 1.00 0.00 O ATOM 552 CB GLU A 37 -10.244 5.921 -29.880 1.00 0.00 C ATOM 553 CG GLU A 37 -10.904 7.001 -30.721 1.00 0.00 C ATOM 554 CD GLU A 37 -10.756 8.383 -30.115 1.00 0.00 C ATOM 555 OE1 GLU A 37 -11.416 8.657 -29.092 1.00 0.00 O ATOM 556 OE2 GLU A 37 -9.978 9.191 -30.665 1.00 0.00 O ATOM 0 H GLU A 37 -9.938 3.949 -31.342 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.422 6.320 -30.949 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.898 5.050 -29.843 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.138 6.283 -28.857 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.466 6.997 -31.719 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.963 6.770 -30.836 1.00 0.00 H new ATOM 563 N LYS A 38 -7.811 3.837 -28.980 1.00 0.00 N ATOM 564 CA LYS A 38 -6.967 3.360 -27.891 1.00 0.00 C ATOM 565 C LYS A 38 -7.432 3.928 -26.553 1.00 0.00 C ATOM 566 O LYS A 38 -6.623 4.397 -25.753 1.00 0.00 O ATOM 567 CB LYS A 38 -5.508 3.747 -28.142 1.00 0.00 C ATOM 568 CG LYS A 38 -4.998 3.339 -29.513 1.00 0.00 C ATOM 569 CD LYS A 38 -3.910 2.283 -29.411 1.00 0.00 C ATOM 570 CE LYS A 38 -3.644 1.625 -30.756 1.00 0.00 C ATOM 571 NZ LYS A 38 -2.291 1.005 -30.813 1.00 0.00 N ATOM 0 H LYS A 38 -8.265 3.097 -29.516 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.047 2.274 -27.852 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.403 4.826 -28.031 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.882 3.285 -27.378 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.825 2.955 -30.110 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.609 4.214 -30.033 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.992 2.739 -29.040 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.204 1.525 -28.686 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.401 0.863 -30.943 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.737 2.368 -31.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.149 0.567 -31.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.567 1.736 -30.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.211 0.278 -30.074 1.00 0.00 H new ATOM 585 N ILE A 39 -8.739 3.881 -26.318 1.00 0.00 N ATOM 586 CA ILE A 39 -9.310 4.389 -25.077 1.00 0.00 C ATOM 587 C ILE A 39 -8.733 3.660 -23.868 1.00 0.00 C ATOM 588 O ILE A 39 -9.014 2.482 -23.648 1.00 0.00 O ATOM 589 CB ILE A 39 -10.844 4.248 -25.063 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.453 4.948 -26.280 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.417 4.819 -23.775 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.114 6.420 -26.363 1.00 0.00 C ATOM 0 H ILE A 39 -9.422 3.496 -26.971 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.050 5.446 -25.020 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.097 3.189 -25.112 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.105 4.452 -27.186 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.537 4.834 -26.250 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.502 4.712 -23.780 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.003 4.280 -22.922 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.157 5.875 -23.698 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.579 6.851 -27.250 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.486 6.930 -25.474 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.033 6.541 -26.425 1.00 0.00 H new ATOM 604 N SER A 40 -7.926 4.370 -23.086 1.00 0.00 N ATOM 605 CA SER A 40 -7.307 3.790 -21.900 1.00 0.00 C ATOM 606 C SER A 40 -8.237 3.896 -20.695 1.00 0.00 C ATOM 607 O SER A 40 -9.171 4.696 -20.686 1.00 0.00 O ATOM 608 CB SER A 40 -5.980 4.490 -21.597 1.00 0.00 C ATOM 609 OG SER A 40 -5.973 5.812 -22.106 1.00 0.00 O ATOM 0 H SER A 40 -7.686 5.347 -23.252 1.00 0.00 H new ATOM 0 HA SER A 40 -7.116 2.735 -22.099 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.814 4.511 -20.520 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.158 3.924 -22.035 1.00 0.00 H new ATOM 0 HG SER A 40 -6.139 6.444 -21.376 1.00 0.00 H new ATOM 615 N GLY A 41 -7.974 3.081 -19.678 1.00 0.00 N ATOM 616 CA GLY A 41 -8.795 3.097 -18.482 1.00 0.00 C ATOM 617 C GLY A 41 -8.856 4.469 -17.840 1.00 0.00 C ATOM 618 O GLY A 41 -9.921 4.913 -17.408 1.00 0.00 O ATOM 0 H GLY A 41 -7.206 2.410 -19.661 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.804 2.772 -18.733 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.399 2.380 -17.763 1.00 0.00 H new ATOM 622 N ASP A 42 -7.713 5.141 -17.774 1.00 0.00 N ATOM 623 CA ASP A 42 -7.640 6.471 -17.179 1.00 0.00 C ATOM 624 C ASP A 42 -8.687 7.398 -17.790 1.00 0.00 C ATOM 625 O ASP A 42 -9.269 8.233 -17.099 1.00 0.00 O ATOM 626 CB ASP A 42 -6.243 7.063 -17.370 1.00 0.00 C ATOM 627 CG ASP A 42 -5.996 7.517 -18.795 1.00 0.00 C ATOM 628 OD1 ASP A 42 -5.716 6.654 -19.653 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.085 8.736 -19.053 1.00 0.00 O ATOM 0 H ASP A 42 -6.823 4.787 -18.125 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.843 6.376 -16.112 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.115 7.909 -16.695 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.496 6.319 -17.094 1.00 0.00 H new ATOM 634 N GLN A 43 -8.919 7.244 -19.090 1.00 0.00 N ATOM 635 CA GLN A 43 -9.894 8.069 -19.794 1.00 0.00 C ATOM 636 C GLN A 43 -11.298 7.491 -19.653 1.00 0.00 C ATOM 637 O GLN A 43 -12.285 8.228 -19.628 1.00 0.00 O ATOM 638 CB GLN A 43 -9.523 8.184 -21.273 1.00 0.00 C ATOM 639 CG GLN A 43 -8.433 9.207 -21.549 1.00 0.00 C ATOM 640 CD GLN A 43 -8.453 9.708 -22.980 1.00 0.00 C ATOM 641 OE1 GLN A 43 -7.450 9.631 -23.690 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.597 10.227 -23.411 1.00 0.00 N ATOM 0 H GLN A 43 -8.446 6.556 -19.676 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.883 9.063 -19.346 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.195 7.209 -21.633 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.413 8.451 -21.843 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.552 10.052 -20.870 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.461 8.763 -21.337 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.404 10.271 -22.788 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.669 10.582 -24.365 1.00 0.00 H new ATOM 651 N LEU A 44 -11.382 6.168 -19.562 1.00 0.00 N ATOM 652 CA LEU A 44 -12.667 5.491 -19.424 1.00 0.00 C ATOM 653 C LEU A 44 -13.330 5.847 -18.098 1.00 0.00 C ATOM 654 O LEU A 44 -14.514 6.185 -18.055 1.00 0.00 O ATOM 655 CB LEU A 44 -12.480 3.976 -19.524 1.00 0.00 C ATOM 656 CG LEU A 44 -13.737 3.129 -19.324 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.530 3.038 -20.618 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.372 1.741 -18.821 1.00 0.00 C ATOM 0 H LEU A 44 -10.576 5.543 -19.581 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.315 5.825 -20.234 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.063 3.746 -20.505 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.740 3.672 -18.784 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.361 3.612 -18.572 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.421 2.431 -20.457 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.824 4.038 -20.935 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.914 2.579 -21.391 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.280 1.153 -18.685 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.726 1.249 -19.548 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.848 1.825 -17.869 1.00 0.00 H new ATOM 670 N LEU A 45 -12.561 5.770 -17.018 1.00 0.00 N ATOM 671 CA LEU A 45 -13.073 6.087 -15.689 1.00 0.00 C ATOM 672 C LEU A 45 -13.671 7.490 -15.656 1.00 0.00 C ATOM 673 O LEU A 45 -14.714 7.717 -15.042 1.00 0.00 O ATOM 674 CB LEU A 45 -11.957 5.971 -14.650 1.00 0.00 C ATOM 675 CG LEU A 45 -12.233 5.039 -13.469 1.00 0.00 C ATOM 676 CD1 LEU A 45 -12.493 3.623 -13.957 1.00 0.00 C ATOM 677 CD2 LEU A 45 -11.071 5.063 -12.488 1.00 0.00 C ATOM 0 H LEU A 45 -11.580 5.491 -17.036 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.860 5.371 -15.449 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.053 5.628 -15.154 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.746 6.967 -14.260 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.125 5.392 -12.952 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.687 2.974 -13.103 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.358 3.620 -14.620 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.620 3.259 -14.498 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.285 4.394 -11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.162 4.735 -12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.932 6.077 -12.113 1.00 0.00 H new ATOM 689 N ARG A 46 -13.005 8.427 -16.322 1.00 0.00 N ATOM 690 CA ARG A 46 -13.471 9.808 -16.370 1.00 0.00 C ATOM 691 C ARG A 46 -14.052 10.139 -17.741 1.00 0.00 C ATOM 692 O ARG A 46 -13.960 11.274 -18.208 1.00 0.00 O ATOM 693 CB ARG A 46 -12.324 10.767 -16.045 1.00 0.00 C ATOM 694 CG ARG A 46 -11.214 10.762 -17.083 1.00 0.00 C ATOM 695 CD ARG A 46 -9.900 11.255 -16.496 1.00 0.00 C ATOM 696 NE ARG A 46 -9.242 12.226 -17.366 1.00 0.00 N ATOM 697 CZ ARG A 46 -7.987 12.630 -17.200 1.00 0.00 C ATOM 698 NH1 ARG A 46 -7.260 12.149 -16.201 1.00 0.00 N ATOM 699 NH2 ARG A 46 -7.458 13.516 -18.033 1.00 0.00 N ATOM 0 H ARG A 46 -12.141 8.255 -16.836 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.257 9.926 -15.624 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.721 11.778 -15.955 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.904 10.502 -15.075 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.084 9.753 -17.473 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.498 11.394 -17.924 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.085 11.708 -15.522 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.235 10.407 -16.332 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.775 12.615 -18.144 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.664 11.468 -15.558 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.297 12.460 -16.075 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.015 13.888 -18.802 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.495 13.825 -17.904 1.00 0.00 H new ATOM 713 N ILE A 47 -14.649 9.139 -18.382 1.00 0.00 N ATOM 714 CA ILE A 47 -15.245 9.324 -19.699 1.00 0.00 C ATOM 715 C ILE A 47 -16.467 10.234 -19.626 1.00 0.00 C ATOM 716 O ILE A 47 -17.326 10.071 -18.759 1.00 0.00 O ATOM 717 CB ILE A 47 -15.657 7.979 -20.325 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.118 8.183 -21.769 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.755 7.325 -19.499 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.387 7.311 -22.766 1.00 0.00 C ATOM 0 H ILE A 47 -14.732 8.193 -18.010 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.485 9.789 -20.327 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.791 7.317 -20.331 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.186 7.977 -21.833 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -15.978 9.229 -22.042 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -17.036 6.375 -19.954 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.393 7.149 -18.486 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.624 7.982 -19.464 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.766 7.509 -23.769 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.320 7.533 -22.730 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.548 6.262 -22.518 1.00 0.00 H new ATOM 732 N THR A 48 -16.540 11.192 -20.545 1.00 0.00 N ATOM 733 CA THR A 48 -17.657 12.128 -20.586 1.00 0.00 C ATOM 734 C THR A 48 -18.436 11.996 -21.890 1.00 0.00 C ATOM 735 O THR A 48 -17.953 11.405 -22.857 1.00 0.00 O ATOM 736 CB THR A 48 -17.176 13.583 -20.433 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.301 14.457 -20.282 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.354 14.011 -21.639 1.00 0.00 C ATOM 0 H THR A 48 -15.839 11.340 -21.271 1.00 0.00 H new ATOM 0 HA THR A 48 -18.310 11.879 -19.749 1.00 0.00 H new ATOM 0 HB THR A 48 -16.547 13.643 -19.545 1.00 0.00 H new ATOM 0 HG1 THR A 48 -17.987 15.380 -20.184 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.025 15.042 -21.508 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.483 13.362 -21.735 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.963 13.936 -22.540 1.00 0.00 H new ATOM 746 N HIS A 49 -19.643 12.551 -21.911 1.00 0.00 N ATOM 747 CA HIS A 49 -20.489 12.497 -23.098 1.00 0.00 C ATOM 748 C HIS A 49 -19.733 12.990 -24.327 1.00 0.00 C ATOM 749 O HIS A 49 -19.914 12.470 -25.428 1.00 0.00 O ATOM 750 CB HIS A 49 -21.750 13.336 -22.890 1.00 0.00 C ATOM 751 CG HIS A 49 -22.941 12.534 -22.466 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.915 11.941 -23.196 1.00 0.00 N flip ATOM 753 CD2 HIS A 49 -23.237 12.265 -21.146 1.00 0.00 C flip ATOM 754 CE1 HIS A 49 -24.771 11.331 -22.313 1.00 0.00 C flip ATOM 755 NE2 HIS A 49 -24.339 11.540 -21.083 1.00 0.00 N flip ATOM 0 H HIS A 49 -20.058 13.043 -21.120 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.776 11.458 -23.262 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.549 14.098 -22.137 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -21.986 13.858 -23.817 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -22.658 12.596 -20.296 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.655 10.771 -22.581 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -24.781 11.199 -20.229 1.00 0.00 H new ATOM 763 N GLN A 50 -18.886 13.995 -24.132 1.00 0.00 N ATOM 764 CA GLN A 50 -18.104 14.559 -25.226 1.00 0.00 C ATOM 765 C GLN A 50 -17.185 13.505 -25.837 1.00 0.00 C ATOM 766 O GLN A 50 -17.127 13.352 -27.056 1.00 0.00 O ATOM 767 CB GLN A 50 -17.277 15.747 -24.731 1.00 0.00 C ATOM 768 CG GLN A 50 -17.389 16.977 -25.617 1.00 0.00 C ATOM 769 CD GLN A 50 -16.755 18.205 -24.994 1.00 0.00 C ATOM 770 OE1 GLN A 50 -15.545 18.410 -25.091 1.00 0.00 O ATOM 771 NE2 GLN A 50 -17.571 19.031 -24.350 1.00 0.00 N ATOM 0 H GLN A 50 -18.724 14.436 -23.227 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.796 14.902 -25.995 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.597 16.006 -23.722 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.230 15.449 -24.667 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.912 16.774 -26.576 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.441 17.179 -25.820 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.568 18.822 -24.294 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -17.201 19.874 -23.911 1.00 0.00 H new ATOM 780 N GLU A 51 -16.470 12.783 -24.981 1.00 0.00 N ATOM 781 CA GLU A 51 -15.554 11.744 -25.438 1.00 0.00 C ATOM 782 C GLU A 51 -16.282 10.716 -26.298 1.00 0.00 C ATOM 783 O GLU A 51 -15.852 10.402 -27.409 1.00 0.00 O ATOM 784 CB GLU A 51 -14.895 11.052 -24.243 1.00 0.00 C ATOM 785 CG GLU A 51 -13.945 11.949 -23.467 1.00 0.00 C ATOM 786 CD GLU A 51 -12.498 11.758 -23.876 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.258 11.280 -25.005 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.604 12.085 -23.067 1.00 0.00 O ATOM 0 H GLU A 51 -16.507 12.898 -23.968 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.782 12.218 -26.045 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.672 10.691 -23.569 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.348 10.178 -24.596 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.228 12.990 -23.621 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.047 11.745 -22.401 1.00 0.00 H new ATOM 795 N LEU A 52 -17.387 10.194 -25.777 1.00 0.00 N ATOM 796 CA LEU A 52 -18.177 9.200 -26.495 1.00 0.00 C ATOM 797 C LEU A 52 -18.536 9.696 -27.892 1.00 0.00 C ATOM 798 O LEU A 52 -18.284 9.015 -28.886 1.00 0.00 O ATOM 799 CB LEU A 52 -19.451 8.871 -25.715 1.00 0.00 C ATOM 800 CG LEU A 52 -19.312 7.817 -24.616 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.324 8.065 -23.508 1.00 0.00 C ATOM 802 CD2 LEU A 52 -19.481 6.419 -25.193 1.00 0.00 C ATOM 0 H LEU A 52 -17.756 10.443 -24.859 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.576 8.296 -26.594 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.824 9.790 -25.264 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.209 8.532 -26.422 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.312 7.893 -24.190 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.210 7.305 -22.735 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.156 9.051 -23.075 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.332 8.017 -23.919 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -19.379 5.682 -24.397 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.468 6.329 -25.646 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.717 6.243 -25.950 1.00 0.00 H new ATOM 814 N GLU A 53 -19.124 10.886 -27.959 1.00 0.00 N ATOM 815 CA GLU A 53 -19.515 11.473 -29.235 1.00 0.00 C ATOM 816 C GLU A 53 -18.344 11.480 -30.214 1.00 0.00 C ATOM 817 O GLU A 53 -18.520 11.250 -31.410 1.00 0.00 O ATOM 818 CB GLU A 53 -20.030 12.900 -29.029 1.00 0.00 C ATOM 819 CG GLU A 53 -21.136 13.293 -29.994 1.00 0.00 C ATOM 820 CD GLU A 53 -21.521 14.755 -29.876 1.00 0.00 C ATOM 821 OE1 GLU A 53 -21.892 15.183 -28.763 1.00 0.00 O ATOM 822 OE2 GLU A 53 -21.451 15.471 -30.897 1.00 0.00 O ATOM 0 H GLU A 53 -19.340 11.462 -27.145 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.314 10.863 -29.656 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.398 13.001 -28.008 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.199 13.597 -29.139 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.813 13.088 -31.014 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.013 12.674 -29.807 1.00 0.00 H new ATOM 829 N ASP A 54 -17.150 11.745 -29.696 1.00 0.00 N ATOM 830 CA ASP A 54 -15.949 11.782 -30.522 1.00 0.00 C ATOM 831 C ASP A 54 -15.676 10.416 -31.144 1.00 0.00 C ATOM 832 O ASP A 54 -15.239 10.320 -32.292 1.00 0.00 O ATOM 833 CB ASP A 54 -14.745 12.227 -29.691 1.00 0.00 C ATOM 834 CG ASP A 54 -13.608 12.745 -30.550 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.659 13.926 -30.952 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.667 11.970 -30.818 1.00 0.00 O ATOM 0 H ASP A 54 -16.988 11.937 -28.708 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.112 12.502 -31.324 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.055 13.007 -28.996 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.391 11.388 -29.092 1.00 0.00 H new ATOM 841 N LEU A 55 -15.935 9.361 -30.379 1.00 0.00 N ATOM 842 CA LEU A 55 -15.716 7.999 -30.855 1.00 0.00 C ATOM 843 C LEU A 55 -16.726 7.631 -31.937 1.00 0.00 C ATOM 844 O LEU A 55 -16.452 6.797 -32.799 1.00 0.00 O ATOM 845 CB LEU A 55 -15.815 7.010 -29.692 1.00 0.00 C ATOM 846 CG LEU A 55 -14.710 7.100 -28.639 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.298 7.011 -27.239 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.676 6.005 -28.856 1.00 0.00 C ATOM 0 H LEU A 55 -16.297 9.422 -29.427 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.716 7.947 -31.285 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.775 7.158 -29.196 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.819 5.999 -30.100 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.214 8.065 -28.742 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.497 7.077 -26.503 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.999 7.831 -27.086 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.820 6.061 -27.123 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.897 6.084 -28.098 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.157 5.030 -28.781 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.232 6.115 -29.845 1.00 0.00 H new ATOM 860 N GLY A 56 -17.896 8.262 -31.887 1.00 0.00 N ATOM 861 CA GLY A 56 -18.928 7.989 -32.869 1.00 0.00 C ATOM 862 C GLY A 56 -20.293 7.794 -32.238 1.00 0.00 C ATOM 863 O GLY A 56 -21.318 7.909 -32.910 1.00 0.00 O ATOM 0 H GLY A 56 -18.147 8.957 -31.184 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.975 8.813 -33.581 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.661 7.095 -33.433 1.00 0.00 H new ATOM 867 N VAL A 57 -20.306 7.495 -30.943 1.00 0.00 N ATOM 868 CA VAL A 57 -21.555 7.283 -30.220 1.00 0.00 C ATOM 869 C VAL A 57 -22.444 8.520 -30.284 1.00 0.00 C ATOM 870 O VAL A 57 -22.271 9.462 -29.511 1.00 0.00 O ATOM 871 CB VAL A 57 -21.296 6.926 -28.745 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.593 6.530 -28.055 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.265 5.813 -28.639 1.00 0.00 C ATOM 0 H VAL A 57 -19.466 7.394 -30.373 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.063 6.449 -30.704 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.899 7.807 -28.241 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.390 6.281 -27.013 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.297 7.361 -28.099 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.023 5.664 -28.558 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.094 5.574 -27.589 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.631 4.927 -29.158 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.329 6.139 -29.093 1.00 0.00 H new ATOM 883 N SER A 58 -23.396 8.510 -31.211 1.00 0.00 N ATOM 884 CA SER A 58 -24.311 9.633 -31.379 1.00 0.00 C ATOM 885 C SER A 58 -25.711 9.271 -30.890 1.00 0.00 C ATOM 886 O SER A 58 -26.703 9.521 -31.574 1.00 0.00 O ATOM 887 CB SER A 58 -24.366 10.059 -32.847 1.00 0.00 C ATOM 888 OG SER A 58 -24.358 8.932 -33.706 1.00 0.00 O ATOM 0 H SER A 58 -23.554 7.737 -31.857 1.00 0.00 H new ATOM 0 HA SER A 58 -23.939 10.465 -30.781 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.265 10.649 -33.024 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.514 10.700 -33.075 1.00 0.00 H new ATOM 0 HG SER A 58 -24.395 9.231 -34.638 1.00 0.00 H new ATOM 894 N ARG A 59 -25.781 8.680 -29.702 1.00 0.00 N ATOM 895 CA ARG A 59 -27.057 8.282 -29.121 1.00 0.00 C ATOM 896 C ARG A 59 -27.143 8.703 -27.656 1.00 0.00 C ATOM 897 O ARG A 59 -26.179 9.221 -27.092 1.00 0.00 O ATOM 898 CB ARG A 59 -27.246 6.769 -29.240 1.00 0.00 C ATOM 899 CG ARG A 59 -28.154 6.357 -30.387 1.00 0.00 C ATOM 900 CD ARG A 59 -27.357 6.053 -31.646 1.00 0.00 C ATOM 901 NE ARG A 59 -28.195 6.070 -32.842 1.00 0.00 N ATOM 902 CZ ARG A 59 -27.728 5.872 -34.070 1.00 0.00 C ATOM 903 NH1 ARG A 59 -26.436 5.642 -34.262 1.00 0.00 N ATOM 904 NH2 ARG A 59 -28.553 5.903 -35.108 1.00 0.00 N ATOM 0 H ARG A 59 -24.969 8.466 -29.123 1.00 0.00 H new ATOM 0 HA ARG A 59 -27.851 8.785 -29.673 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.272 6.299 -29.372 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.659 6.388 -28.306 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -28.730 5.478 -30.099 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -28.869 7.154 -30.591 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -26.557 6.785 -31.754 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -26.884 5.076 -31.549 1.00 0.00 H new ATOM 0 HE ARG A 59 -29.194 6.243 -32.728 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -25.799 5.617 -33.466 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -26.080 5.490 -35.206 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -29.547 6.079 -34.964 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -28.193 5.751 -36.050 1.00 0.00 H new ATOM 918 N ILE A 60 -28.302 8.476 -27.048 1.00 0.00 N ATOM 919 CA ILE A 60 -28.513 8.831 -25.650 1.00 0.00 C ATOM 920 C ILE A 60 -28.652 7.585 -24.782 1.00 0.00 C ATOM 921 O ILE A 60 -28.103 7.517 -23.683 1.00 0.00 O ATOM 922 CB ILE A 60 -29.767 9.708 -25.474 1.00 0.00 C ATOM 923 CG1 ILE A 60 -29.671 10.955 -26.356 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.941 10.097 -24.014 1.00 0.00 C ATOM 925 CD1 ILE A 60 -28.447 11.800 -26.077 1.00 0.00 C ATOM 0 H ILE A 60 -29.109 8.048 -27.501 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.637 9.397 -25.333 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.641 9.134 -25.783 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.661 10.650 -27.402 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -30.564 11.563 -26.210 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -30.831 10.717 -23.906 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -30.049 9.197 -23.408 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -29.067 10.656 -23.680 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -28.445 12.666 -26.738 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -28.465 12.135 -25.040 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -27.549 11.208 -26.251 1.00 0.00 H new ATOM 937 N GLY A 61 -29.391 6.600 -25.284 1.00 0.00 N ATOM 938 CA GLY A 61 -29.588 5.368 -24.542 1.00 0.00 C ATOM 939 C GLY A 61 -28.353 4.489 -24.539 1.00 0.00 C ATOM 940 O GLY A 61 -28.203 3.619 -23.680 1.00 0.00 O ATOM 0 H GLY A 61 -29.857 6.633 -26.191 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.863 5.606 -23.515 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.422 4.816 -24.975 1.00 0.00 H new ATOM 944 N HIS A 62 -27.466 4.714 -25.503 1.00 0.00 N ATOM 945 CA HIS A 62 -26.238 3.935 -25.609 1.00 0.00 C ATOM 946 C HIS A 62 -25.114 4.578 -24.802 1.00 0.00 C ATOM 947 O HIS A 62 -24.334 3.888 -24.148 1.00 0.00 O ATOM 948 CB HIS A 62 -25.818 3.801 -27.073 1.00 0.00 C ATOM 949 CG HIS A 62 -26.897 3.258 -27.959 1.00 0.00 C ATOM 950 ND1 HIS A 62 -27.005 3.577 -29.296 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.919 2.411 -27.691 1.00 0.00 C ATOM 952 CE1 HIS A 62 -28.047 2.951 -29.812 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.619 2.237 -28.860 1.00 0.00 N ATOM 0 H HIS A 62 -27.575 5.429 -26.222 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.431 2.942 -25.202 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.511 4.778 -27.445 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.947 3.149 -27.134 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -28.142 1.957 -26.737 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.376 3.013 -30.839 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -29.446 1.651 -28.974 1.00 0.00 H new ATOM 961 N GLN A 63 -25.039 5.904 -24.855 1.00 0.00 N ATOM 962 CA GLN A 63 -24.010 6.640 -24.130 1.00 0.00 C ATOM 963 C GLN A 63 -24.122 6.397 -22.629 1.00 0.00 C ATOM 964 O GLN A 63 -23.118 6.378 -21.917 1.00 0.00 O ATOM 965 CB GLN A 63 -24.119 8.137 -24.426 1.00 0.00 C ATOM 966 CG GLN A 63 -23.447 8.551 -25.726 1.00 0.00 C ATOM 967 CD GLN A 63 -23.082 10.022 -25.751 1.00 0.00 C ATOM 968 OE1 GLN A 63 -22.203 10.468 -25.013 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.756 10.785 -26.604 1.00 0.00 N ATOM 0 H GLN A 63 -25.678 6.490 -25.392 1.00 0.00 H new ATOM 0 HA GLN A 63 -23.037 6.280 -24.466 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.172 8.415 -24.467 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.673 8.695 -23.603 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.546 7.954 -25.871 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.113 8.331 -26.561 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.477 10.373 -27.197 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.553 11.783 -26.666 1.00 0.00 H new ATOM 978 N GLU A 64 -25.350 6.212 -22.155 1.00 0.00 N ATOM 979 CA GLU A 64 -25.593 5.972 -20.737 1.00 0.00 C ATOM 980 C GLU A 64 -25.412 4.495 -20.397 1.00 0.00 C ATOM 981 O GLU A 64 -25.069 4.144 -19.268 1.00 0.00 O ATOM 982 CB GLU A 64 -27.003 6.426 -20.354 1.00 0.00 C ATOM 983 CG GLU A 64 -27.197 7.931 -20.424 1.00 0.00 C ATOM 984 CD GLU A 64 -27.004 8.608 -19.081 1.00 0.00 C ATOM 985 OE1 GLU A 64 -26.242 8.070 -18.251 1.00 0.00 O ATOM 986 OE2 GLU A 64 -27.614 9.675 -18.860 1.00 0.00 O ATOM 0 H GLU A 64 -26.191 6.224 -22.731 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.866 6.550 -20.167 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.723 5.944 -21.015 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.223 6.086 -19.342 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.493 8.351 -21.143 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -28.199 8.147 -20.795 1.00 0.00 H new ATOM 993 N LEU A 65 -25.647 3.634 -21.381 1.00 0.00 N ATOM 994 CA LEU A 65 -25.511 2.195 -21.188 1.00 0.00 C ATOM 995 C LEU A 65 -24.085 1.831 -20.786 1.00 0.00 C ATOM 996 O LEU A 65 -23.871 1.061 -19.850 1.00 0.00 O ATOM 997 CB LEU A 65 -25.899 1.450 -22.466 1.00 0.00 C ATOM 998 CG LEU A 65 -27.337 0.934 -22.533 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.777 0.766 -23.979 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.467 -0.381 -21.778 1.00 0.00 C ATOM 0 H LEU A 65 -25.933 3.908 -22.321 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.183 1.897 -20.383 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.733 2.114 -23.314 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -25.224 0.603 -22.588 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.989 1.668 -22.059 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.803 0.398 -24.007 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.722 1.727 -24.490 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -27.122 0.052 -24.478 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.497 -0.734 -21.836 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.804 -1.123 -22.223 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -27.194 -0.230 -20.734 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.114 2.393 -21.499 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.709 2.130 -21.214 1.00 0.00 C ATOM 1014 C ILE A 66 -21.311 2.687 -19.852 1.00 0.00 C ATOM 1015 O ILE A 66 -20.614 2.029 -19.079 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.793 2.738 -22.292 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -21.146 2.173 -23.670 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.333 2.467 -21.961 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.470 2.899 -24.812 1.00 0.00 C ATOM 0 H ILE A 66 -23.275 3.033 -22.277 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.585 1.047 -21.212 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.947 3.817 -22.312 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.867 1.120 -23.704 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.226 2.222 -23.808 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.698 2.903 -22.732 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -19.090 2.912 -20.996 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.164 1.391 -21.917 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.766 2.445 -25.758 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.768 3.947 -24.804 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.388 2.828 -24.698 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.760 3.904 -19.562 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.452 4.550 -18.291 1.00 0.00 C ATOM 1033 C LEU A 67 -21.988 3.733 -17.120 1.00 0.00 C ATOM 1034 O LEU A 67 -21.264 3.446 -16.168 1.00 0.00 O ATOM 1035 CB LEU A 67 -22.044 5.960 -18.257 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.553 6.921 -19.341 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.523 8.080 -19.506 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.159 7.433 -19.008 1.00 0.00 C ATOM 0 H LEU A 67 -22.338 4.463 -20.190 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.368 4.615 -18.198 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.128 5.879 -18.335 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.827 6.400 -17.284 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.503 6.379 -20.285 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.157 8.753 -20.281 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.503 7.697 -19.791 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.606 8.622 -18.564 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.826 8.115 -19.790 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.183 7.959 -18.054 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.469 6.592 -18.942 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.262 3.359 -17.200 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.894 2.573 -16.147 1.00 0.00 C ATOM 1052 C GLU A 68 -23.070 1.329 -15.828 1.00 0.00 C ATOM 1053 O GLU A 68 -23.075 0.841 -14.698 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.309 2.167 -16.563 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.065 1.405 -15.487 1.00 0.00 C ATOM 1056 CD GLU A 68 -26.764 2.324 -14.504 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -26.542 3.551 -14.578 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -27.532 1.817 -13.660 1.00 0.00 O ATOM 0 H GLU A 68 -23.875 3.588 -17.982 1.00 0.00 H new ATOM 0 HA GLU A 68 -23.949 3.191 -15.251 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.872 3.062 -16.826 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.252 1.551 -17.461 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -26.802 0.754 -15.958 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.371 0.762 -14.947 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.362 0.821 -16.832 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.532 -0.365 -16.658 1.00 0.00 C ATOM 1067 C ALA A 69 -20.198 -0.011 -16.009 1.00 0.00 C ATOM 1068 O ALA A 69 -19.631 -0.805 -15.259 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.304 -1.050 -17.997 1.00 0.00 C ATOM 0 H ALA A 69 -22.347 1.212 -17.774 1.00 0.00 H new ATOM 0 HA ALA A 69 -22.058 -1.052 -15.995 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.683 -1.934 -17.852 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.263 -1.346 -18.422 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.803 -0.362 -18.677 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.702 1.187 -16.303 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.434 1.646 -15.748 1.00 0.00 C ATOM 1077 C VAL A 70 -18.521 1.800 -14.233 1.00 0.00 C ATOM 1078 O VAL A 70 -17.553 1.546 -13.517 1.00 0.00 O ATOM 1079 CB VAL A 70 -18.005 2.991 -16.365 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.698 3.467 -15.751 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.880 2.866 -17.876 1.00 0.00 C ATOM 0 H VAL A 70 -20.159 1.857 -16.922 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.689 0.888 -15.992 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.772 3.734 -16.146 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.411 4.418 -16.199 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.827 3.596 -14.676 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.918 2.728 -15.937 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.576 3.825 -18.297 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.133 2.110 -18.118 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.842 2.573 -18.298 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.687 2.217 -13.753 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.902 2.403 -12.322 1.00 0.00 C ATOM 1093 C ASP A 71 -19.567 1.130 -11.552 1.00 0.00 C ATOM 1094 O ASP A 71 -19.201 1.181 -10.377 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.351 2.811 -12.052 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.472 3.788 -10.898 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.618 4.693 -10.796 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.419 3.646 -10.097 1.00 0.00 O ATOM 0 H ASP A 71 -20.498 2.433 -14.333 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.239 3.198 -11.980 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.772 3.261 -12.951 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.942 1.921 -11.834 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.694 -0.011 -12.221 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.405 -1.298 -11.599 1.00 0.00 C ATOM 1105 C LEU A 72 -17.904 -1.570 -11.582 1.00 0.00 C ATOM 1106 O LEU A 72 -17.383 -2.176 -10.644 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.130 -2.421 -12.344 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.611 -2.600 -12.011 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.288 -3.484 -13.047 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -21.776 -3.188 -10.617 1.00 0.00 C ATOM 0 H LEU A 72 -19.995 -0.071 -13.194 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.761 -1.264 -10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.038 -2.238 -13.415 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.615 -3.359 -12.136 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.089 -1.621 -12.030 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.342 -3.600 -12.793 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.200 -3.024 -14.031 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.808 -4.463 -13.060 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -22.837 -3.309 -10.396 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.283 -4.159 -10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.327 -2.518 -9.884 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.214 -1.117 -12.622 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.772 -1.310 -12.726 1.00 0.00 C ATOM 1124 C LEU A 73 -15.063 -0.795 -11.477 1.00 0.00 C ATOM 1125 O LEU A 73 -14.305 -1.525 -10.837 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.230 -0.594 -13.965 1.00 0.00 C ATOM 1127 CG LEU A 73 -14.771 -1.495 -15.112 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -13.593 -2.354 -14.679 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -15.920 -2.367 -15.598 1.00 0.00 C ATOM 0 H LEU A 73 -17.630 -0.613 -13.406 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.579 -2.379 -12.817 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.004 0.075 -14.342 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.390 0.030 -13.661 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.447 -0.862 -15.938 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.281 -2.988 -15.509 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.764 -1.712 -14.381 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.889 -2.979 -13.836 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.575 -3.002 -16.414 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -16.275 -2.991 -14.778 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.734 -1.733 -15.950 1.00 0.00 H new ATOM 1141 N CYS A 74 -15.316 0.463 -11.136 1.00 0.00 N ATOM 1142 CA CYS A 74 -14.702 1.075 -9.962 1.00 0.00 C ATOM 1143 C CYS A 74 -15.144 0.366 -8.686 1.00 0.00 C ATOM 1144 O CYS A 74 -14.383 0.268 -7.724 1.00 0.00 O ATOM 1145 CB CYS A 74 -15.065 2.559 -9.887 1.00 0.00 C ATOM 1146 SG CYS A 74 -13.638 3.669 -9.901 1.00 0.00 S ATOM 0 H CYS A 74 -15.941 1.079 -11.655 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.620 0.977 -10.055 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -15.713 2.807 -10.728 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -15.641 2.736 -8.978 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.046 4.902 -9.837 1.00 0.00 H new ATOM 1152 N ALA A 75 -16.379 -0.126 -8.685 1.00 0.00 N ATOM 1153 CA ALA A 75 -16.922 -0.826 -7.528 1.00 0.00 C ATOM 1154 C ALA A 75 -16.082 -2.052 -7.185 1.00 0.00 C ATOM 1155 O ALA A 75 -15.738 -2.276 -6.024 1.00 0.00 O ATOM 1156 CB ALA A 75 -18.367 -1.228 -7.785 1.00 0.00 C ATOM 0 H ALA A 75 -17.022 -0.052 -9.473 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.892 -0.147 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.760 -1.750 -6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.965 -0.336 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.413 -1.886 -8.653 1.00 0.00 H new ATOM 1162 N LEU A 76 -15.757 -2.843 -8.201 1.00 0.00 N ATOM 1163 CA LEU A 76 -14.957 -4.048 -8.006 1.00 0.00 C ATOM 1164 C LEU A 76 -13.659 -3.728 -7.273 1.00 0.00 C ATOM 1165 O LEU A 76 -13.264 -4.439 -6.351 1.00 0.00 O ATOM 1166 CB LEU A 76 -14.647 -4.701 -9.354 1.00 0.00 C ATOM 1167 CG LEU A 76 -15.812 -5.422 -10.034 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -15.517 -5.639 -11.510 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -16.093 -6.749 -9.345 1.00 0.00 C ATOM 0 H LEU A 76 -16.034 -2.673 -9.168 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.535 -4.743 -7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.277 -3.931 -10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.837 -5.416 -9.211 1.00 0.00 H new ATOM 0 HG LEU A 76 -16.700 -4.796 -9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -16.357 -6.153 -11.977 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.366 -4.675 -11.996 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.617 -6.244 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -16.925 -7.248 -9.842 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.207 -7.381 -9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -16.349 -6.570 -8.301 1.00 0.00 H new ATOM 1181 N ASN A 77 -13.000 -2.651 -7.690 1.00 0.00 N ATOM 1182 CA ASN A 77 -11.747 -2.234 -7.071 1.00 0.00 C ATOM 1183 C ASN A 77 -11.996 -1.620 -5.697 1.00 0.00 C ATOM 1184 O ASN A 77 -12.882 -0.782 -5.532 1.00 0.00 O ATOM 1185 CB ASN A 77 -11.021 -1.229 -7.968 1.00 0.00 C ATOM 1186 CG ASN A 77 -10.179 -1.907 -9.032 1.00 0.00 C ATOM 1187 OD1 ASN A 77 -8.952 -1.810 -9.023 1.00 0.00 O ATOM 1188 ND2 ASN A 77 -10.837 -2.597 -9.956 1.00 0.00 N ATOM 0 H ASN A 77 -13.313 -2.052 -8.454 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.121 -3.117 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.753 -0.579 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.383 -0.593 -7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.324 -3.074 -10.698 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.855 -2.650 -9.924 1.00 0.00 H new ATOM 1195 N SER A 78 -11.207 -2.043 -4.714 1.00 0.00 N ATOM 1196 CA SER A 78 -11.343 -1.537 -3.354 1.00 0.00 C ATOM 1197 C SER A 78 -12.740 -1.817 -2.807 1.00 0.00 C ATOM 1198 O SER A 78 -13.684 -1.076 -3.076 1.00 0.00 O ATOM 1199 CB SER A 78 -11.060 -0.034 -3.315 1.00 0.00 C ATOM 1200 OG SER A 78 -10.729 0.389 -2.004 1.00 0.00 O ATOM 0 H SER A 78 -10.467 -2.735 -4.835 1.00 0.00 H new ATOM 0 HA SER A 78 -10.616 -2.053 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.241 0.203 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.935 0.513 -3.667 1.00 0.00 H new ATOM 0 HG SER A 78 -10.551 1.353 -2.006 1.00 0.00 H new ATOM 1206 N GLY A 79 -12.862 -2.895 -2.038 1.00 0.00 N ATOM 1207 CA GLY A 79 -14.145 -3.256 -1.465 1.00 0.00 C ATOM 1208 C GLY A 79 -14.013 -3.865 -0.084 1.00 0.00 C ATOM 1209 O GLY A 79 -12.914 -4.014 0.450 1.00 0.00 O ATOM 0 H GLY A 79 -12.095 -3.524 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.777 -2.369 -1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.647 -3.964 -2.124 1.00 0.00 H new ATOM 1213 N PRO A 80 -15.155 -4.229 0.519 1.00 0.00 N ATOM 1214 CA PRO A 80 -15.189 -4.831 1.855 1.00 0.00 C ATOM 1215 C PRO A 80 -14.616 -6.244 1.869 1.00 0.00 C ATOM 1216 O PRO A 80 -14.111 -6.709 2.891 1.00 0.00 O ATOM 1217 CB PRO A 80 -16.681 -4.854 2.196 1.00 0.00 C ATOM 1218 CG PRO A 80 -17.371 -4.877 0.876 1.00 0.00 C ATOM 1219 CD PRO A 80 -16.502 -4.082 -0.059 1.00 0.00 C ATOM 0 HA PRO A 80 -14.584 -4.273 2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -16.937 -5.730 2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.968 -3.978 2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.496 -5.899 0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -18.367 -4.441 0.949 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -16.547 -4.470 -1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -16.809 -3.037 -0.102 1.00 0.00 H new ATOM 1227 N SER A 81 -14.699 -6.922 0.729 1.00 0.00 N ATOM 1228 CA SER A 81 -14.192 -8.284 0.612 1.00 0.00 C ATOM 1229 C SER A 81 -13.244 -8.411 -0.577 1.00 0.00 C ATOM 1230 O SER A 81 -12.207 -9.069 -0.492 1.00 0.00 O ATOM 1231 CB SER A 81 -15.351 -9.271 0.461 1.00 0.00 C ATOM 1232 OG SER A 81 -14.879 -10.565 0.126 1.00 0.00 O ATOM 0 H SER A 81 -15.112 -6.551 -0.126 1.00 0.00 H new ATOM 0 HA SER A 81 -13.640 -8.519 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.917 -9.317 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.035 -8.919 -0.311 1.00 0.00 H new ATOM 0 HG SER A 81 -15.639 -11.177 0.037 1.00 0.00 H new ATOM 1238 N SER A 82 -13.608 -7.776 -1.687 1.00 0.00 N ATOM 1239 CA SER A 82 -12.794 -7.819 -2.895 1.00 0.00 C ATOM 1240 C SER A 82 -11.621 -6.848 -2.795 1.00 0.00 C ATOM 1241 O SER A 82 -11.463 -6.148 -1.796 1.00 0.00 O ATOM 1242 CB SER A 82 -13.644 -7.485 -4.122 1.00 0.00 C ATOM 1243 OG SER A 82 -14.914 -6.985 -3.740 1.00 0.00 O ATOM 0 H SER A 82 -14.462 -7.225 -1.774 1.00 0.00 H new ATOM 0 HA SER A 82 -12.399 -8.829 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.128 -6.747 -4.736 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.770 -8.377 -4.735 1.00 0.00 H new ATOM 0 HG SER A 82 -15.438 -6.777 -4.541 1.00 0.00 H new ATOM 1249 N GLY A 83 -10.800 -6.812 -3.840 1.00 0.00 N ATOM 1250 CA GLY A 83 -9.652 -5.925 -3.851 1.00 0.00 C ATOM 1251 C GLY A 83 -9.452 -5.252 -5.195 1.00 0.00 C ATOM 1252 O GLY A 83 -10.342 -5.270 -6.044 1.00 0.00 O ATOM 0 H GLY A 83 -10.910 -7.381 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.778 -5.163 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.757 -6.491 -3.595 1.00 0.00 H new TER 1256 GLY A 83