USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 645 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 21 ASN : amide:sc= 0.0736! C(o=0.82!,f=-7.1!) USER MOD Set 1.2: A 23 ASN : amide:sc= -0.555! K(o=0.82!,f=0.32) USER MOD Set 1.3: A 64 HIS : no HE2:sc= 0.971 K(o=0.82,f=-5.7!) USER MOD Set 1.4: A 67 THR OG1 : rot 180:sc= 0.332 USER MOD Set 2.1: A 44 SER OG : rot -119:sc= 0.867 USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0.786 USER MOD Set 3.1: A 28 CYS SG : rot 124:sc= 0.826 USER MOD Set 3.2: A 31 HIS : no HD1:sc= -3.84! C(o=-2.3!,f=-7.6!) USER MOD Set 3.3: A 59 THR OG1 : rot 115:sc= 0.682 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.0736 USER MOD Set 4.2: A 49 TYR OH : rot -120:sc= 1.07 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.148 (180deg=-0.664) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0711) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc=-0.00863 (180deg=-0.11) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -120:sc= 1.21 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= 0.43 (180deg=-0.216) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-5.2!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.137 F(o=-1.3,f=-0.14) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -150:sc= 0 USER MOD Single : A 55 THR OG1 : rot 96:sc= 2.32 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= 2.24 (180deg=2.01) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0315 (180deg=-0.231) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HE2:sc= 0.0247 F(o=-0.57,f=0.025) USER MOD Single : A 80 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.06) USER MOD Single : A 81 HIS : no HE2:sc= 0.695 K(o=0.69,f=-5!) USER MOD Single : A 82 HIS : no HD1:sc= -0.893 X(o=-0.89,f=-1.1) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.64 X(o=-0.64,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 66.251 -20.425 4.610 1.00 0.00 N ATOM 2 CA MET A 1 65.202 -20.686 3.601 1.00 0.00 C ATOM 3 C MET A 1 65.318 -22.111 3.085 1.00 0.00 C ATOM 4 O MET A 1 66.090 -22.388 2.167 1.00 0.00 O ATOM 5 CB MET A 1 65.312 -19.697 2.434 1.00 0.00 C ATOM 6 CG MET A 1 65.077 -18.248 2.828 1.00 0.00 C ATOM 7 SD MET A 1 65.155 -17.120 1.421 1.00 0.00 S ATOM 8 CE MET A 1 66.834 -17.387 0.852 1.00 0.00 C ATOM 0 H1 MET A 1 66.073 -19.508 5.066 1.00 0.00 H new ATOM 0 H2 MET A 1 66.237 -21.177 5.328 1.00 0.00 H new ATOM 0 H3 MET A 1 67.182 -20.406 4.146 1.00 0.00 H new ATOM 0 HA MET A 1 64.229 -20.554 4.075 1.00 0.00 H new ATOM 0 HB2 MET A 1 66.303 -19.786 1.988 1.00 0.00 H new ATOM 0 HB3 MET A 1 64.591 -19.976 1.666 1.00 0.00 H new ATOM 0 HG2 MET A 1 64.101 -18.160 3.305 1.00 0.00 H new ATOM 0 HG3 MET A 1 65.821 -17.952 3.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 67.132 -16.567 0.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 67.506 -17.431 1.709 1.00 0.00 H new ATOM 0 HE3 MET A 1 66.887 -18.326 0.302 1.00 0.00 H new ATOM 20 N ALA A 2 64.568 -23.016 3.690 1.00 0.00 N ATOM 21 CA ALA A 2 64.629 -24.419 3.320 1.00 0.00 C ATOM 22 C ALA A 2 63.395 -24.825 2.527 1.00 0.00 C ATOM 23 O ALA A 2 62.265 -24.576 2.948 1.00 0.00 O ATOM 24 CB ALA A 2 64.778 -25.283 4.564 1.00 0.00 C ATOM 0 H ALA A 2 63.910 -22.804 4.440 1.00 0.00 H new ATOM 0 HA ALA A 2 65.501 -24.571 2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 2 64.823 -26.333 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 2 65.695 -25.012 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 2 63.924 -25.124 5.222 1.00 0.00 H new ATOM 30 N GLY A 3 63.620 -25.422 1.366 1.00 0.00 N ATOM 31 CA GLY A 3 62.522 -25.931 0.568 1.00 0.00 C ATOM 32 C GLY A 3 61.982 -24.917 -0.421 1.00 0.00 C ATOM 33 O GLY A 3 60.983 -25.176 -1.088 1.00 0.00 O ATOM 0 H GLY A 3 64.545 -25.564 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 3 62.855 -26.816 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 3 61.716 -26.248 1.230 1.00 0.00 H new ATOM 37 N ASP A 4 62.636 -23.765 -0.525 1.00 0.00 N ATOM 38 CA ASP A 4 62.202 -22.727 -1.460 1.00 0.00 C ATOM 39 C ASP A 4 63.193 -22.573 -2.607 1.00 0.00 C ATOM 40 O ASP A 4 64.172 -21.836 -2.495 1.00 0.00 O ATOM 41 CB ASP A 4 62.018 -21.378 -0.755 1.00 0.00 C ATOM 42 CG ASP A 4 60.807 -21.347 0.152 1.00 0.00 C ATOM 43 OD1 ASP A 4 59.670 -21.352 -0.370 1.00 0.00 O ATOM 44 OD2 ASP A 4 60.985 -21.318 1.387 1.00 0.00 O ATOM 0 H ASP A 4 63.463 -23.525 0.021 1.00 0.00 H new ATOM 0 HA ASP A 4 61.240 -23.043 -1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.910 -21.155 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 4 61.924 -20.592 -1.504 1.00 0.00 H new ATOM 49 N PRO A 5 62.961 -23.281 -3.722 1.00 0.00 N ATOM 50 CA PRO A 5 63.795 -23.203 -4.909 1.00 0.00 C ATOM 51 C PRO A 5 63.240 -22.223 -5.942 1.00 0.00 C ATOM 52 O PRO A 5 63.502 -22.350 -7.138 1.00 0.00 O ATOM 53 CB PRO A 5 63.736 -24.637 -5.434 1.00 0.00 C ATOM 54 CG PRO A 5 62.409 -25.176 -4.985 1.00 0.00 C ATOM 55 CD PRO A 5 61.873 -24.247 -3.917 1.00 0.00 C ATOM 0 HA PRO A 5 64.802 -22.841 -4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 5 63.822 -24.661 -6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 5 64.557 -25.234 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 5 61.716 -25.234 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 5 62.520 -26.187 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 5 60.954 -23.756 -4.237 1.00 0.00 H new ATOM 0 HD3 PRO A 5 61.644 -24.784 -2.997 1.00 0.00 H new ATOM 63 N LEU A 6 62.473 -21.246 -5.475 1.00 0.00 N ATOM 64 CA LEU A 6 61.879 -20.255 -6.362 1.00 0.00 C ATOM 65 C LEU A 6 62.875 -19.146 -6.677 1.00 0.00 C ATOM 66 O LEU A 6 63.576 -18.658 -5.785 1.00 0.00 O ATOM 67 CB LEU A 6 60.609 -19.643 -5.753 1.00 0.00 C ATOM 68 CG LEU A 6 59.382 -20.561 -5.692 1.00 0.00 C ATOM 69 CD1 LEU A 6 59.503 -21.562 -4.552 1.00 0.00 C ATOM 70 CD2 LEU A 6 58.113 -19.733 -5.550 1.00 0.00 C ATOM 0 H LEU A 6 62.248 -21.119 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 6 61.608 -20.770 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 6 60.839 -19.310 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 6 60.346 -18.755 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 6 59.329 -21.124 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 6 58.619 -22.200 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 6 60.391 -22.177 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 6 59.586 -21.027 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 6 57.249 -20.396 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 6 58.164 -19.144 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 6 58.017 -19.065 -6.406 1.00 0.00 H new ATOM 82 N PRO A 7 62.956 -18.741 -7.952 1.00 0.00 N ATOM 83 CA PRO A 7 63.839 -17.659 -8.379 1.00 0.00 C ATOM 84 C PRO A 7 63.355 -16.296 -7.890 1.00 0.00 C ATOM 85 O PRO A 7 62.363 -15.752 -8.384 1.00 0.00 O ATOM 86 CB PRO A 7 63.800 -17.738 -9.907 1.00 0.00 C ATOM 87 CG PRO A 7 62.496 -18.389 -10.226 1.00 0.00 C ATOM 88 CD PRO A 7 62.195 -19.315 -9.078 1.00 0.00 C ATOM 0 HA PRO A 7 64.844 -17.765 -7.970 1.00 0.00 H new ATOM 0 HB2 PRO A 7 63.867 -16.747 -10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 7 64.637 -18.320 -10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 7 61.708 -17.645 -10.342 1.00 0.00 H new ATOM 0 HG3 PRO A 7 62.556 -18.940 -11.165 1.00 0.00 H new ATOM 0 HD2 PRO A 7 61.127 -19.350 -8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 7 62.510 -20.336 -9.294 1.00 0.00 H new ATOM 96 N LYS A 8 64.039 -15.770 -6.888 1.00 0.00 N ATOM 97 CA LYS A 8 63.736 -14.448 -6.369 1.00 0.00 C ATOM 98 C LYS A 8 64.924 -13.530 -6.608 1.00 0.00 C ATOM 99 O LYS A 8 64.863 -12.640 -7.454 1.00 0.00 O ATOM 100 CB LYS A 8 63.405 -14.526 -4.876 1.00 0.00 C ATOM 101 CG LYS A 8 62.808 -13.245 -4.315 1.00 0.00 C ATOM 102 CD LYS A 8 62.407 -13.406 -2.857 1.00 0.00 C ATOM 103 CE LYS A 8 61.414 -14.546 -2.666 1.00 0.00 C ATOM 104 NZ LYS A 8 60.175 -14.358 -3.467 1.00 0.00 N ATOM 0 H LYS A 8 64.811 -16.241 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 8 62.865 -14.046 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.706 -15.345 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 8 64.313 -14.766 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 8 63.532 -12.435 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 8 61.936 -12.961 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 8 63.296 -13.593 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 8 61.967 -12.476 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 8 61.886 -15.487 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 8 61.153 -14.624 -1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 59.478 -15.083 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 59.781 -13.414 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 60.399 -14.446 -4.479 1.00 0.00 H new ATOM 118 N TYR A 9 66.002 -13.779 -5.862 1.00 0.00 N ATOM 119 CA TYR A 9 67.283 -13.095 -6.049 1.00 0.00 C ATOM 120 C TYR A 9 67.153 -11.577 -5.941 1.00 0.00 C ATOM 121 O TYR A 9 66.918 -10.893 -6.939 1.00 0.00 O ATOM 122 CB TYR A 9 67.913 -13.478 -7.394 1.00 0.00 C ATOM 123 CG TYR A 9 68.096 -14.968 -7.572 1.00 0.00 C ATOM 124 CD1 TYR A 9 69.072 -15.659 -6.865 1.00 0.00 C ATOM 125 CD2 TYR A 9 67.285 -15.684 -8.442 1.00 0.00 C ATOM 126 CE1 TYR A 9 69.234 -17.023 -7.022 1.00 0.00 C ATOM 127 CE2 TYR A 9 67.440 -17.046 -8.603 1.00 0.00 C ATOM 128 CZ TYR A 9 68.415 -17.711 -7.894 1.00 0.00 C ATOM 129 OH TYR A 9 68.566 -19.069 -8.052 1.00 0.00 O ATOM 0 H TYR A 9 66.011 -14.465 -5.107 1.00 0.00 H new ATOM 0 HA TYR A 9 67.937 -13.425 -5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 9 67.286 -13.098 -8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 9 68.882 -12.988 -7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 9 69.714 -15.122 -6.182 1.00 0.00 H new ATOM 0 HD2 TYR A 9 66.520 -15.167 -9.002 1.00 0.00 H new ATOM 0 HE1 TYR A 9 69.997 -17.547 -6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 9 66.799 -17.588 -9.282 1.00 0.00 H new ATOM 0 HH TYR A 9 67.910 -19.398 -8.701 1.00 0.00 H new ATOM 139 N TRP A 10 67.313 -11.072 -4.717 1.00 0.00 N ATOM 140 CA TRP A 10 67.292 -9.634 -4.434 1.00 0.00 C ATOM 141 C TRP A 10 65.916 -9.011 -4.694 1.00 0.00 C ATOM 142 O TRP A 10 65.427 -8.976 -5.822 1.00 0.00 O ATOM 143 CB TRP A 10 68.374 -8.909 -5.245 1.00 0.00 C ATOM 144 CG TRP A 10 69.744 -9.478 -5.032 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.485 -9.420 -3.888 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.538 -10.189 -5.988 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.685 -10.058 -4.071 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.745 -10.534 -5.352 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.348 -10.566 -7.322 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.753 -11.243 -6.001 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.349 -11.270 -7.965 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.540 -11.599 -7.305 1.00 0.00 C ATOM 0 H TRP A 10 67.461 -11.650 -3.890 1.00 0.00 H new ATOM 0 HA TRP A 10 67.504 -9.512 -3.372 1.00 0.00 H new ATOM 0 HB2 TRP A 10 68.124 -8.964 -6.305 1.00 0.00 H new ATOM 0 HB3 TRP A 10 68.378 -7.854 -4.973 1.00 0.00 H new ATOM 0 HD1 TRP A 10 70.172 -8.941 -2.972 1.00 0.00 H new ATOM 0 HE1 TRP A 10 72.415 -10.161 -3.366 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.435 -10.311 -7.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.670 -11.503 -5.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 71.211 -11.571 -8.993 1.00 0.00 H new ATOM 0 HH2 TRP A 10 73.306 -12.145 -7.836 1.00 0.00 H new ATOM 163 N SER A 11 65.306 -8.505 -3.634 1.00 0.00 N ATOM 164 CA SER A 11 64.008 -7.859 -3.730 1.00 0.00 C ATOM 165 C SER A 11 64.168 -6.370 -4.033 1.00 0.00 C ATOM 166 O SER A 11 63.278 -5.743 -4.610 1.00 0.00 O ATOM 167 CB SER A 11 63.232 -8.066 -2.427 1.00 0.00 C ATOM 168 OG SER A 11 64.061 -7.836 -1.296 1.00 0.00 O ATOM 0 H SER A 11 65.693 -8.530 -2.691 1.00 0.00 H new ATOM 0 HA SER A 11 63.448 -8.309 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 11 62.377 -7.391 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A 11 62.838 -9.082 -2.392 1.00 0.00 H new ATOM 0 HG SER A 11 63.542 -7.973 -0.476 1.00 0.00 H new ATOM 174 N TYR A 12 65.312 -5.811 -3.652 1.00 0.00 N ATOM 175 CA TYR A 12 65.589 -4.398 -3.884 1.00 0.00 C ATOM 176 C TYR A 12 66.547 -4.221 -5.060 1.00 0.00 C ATOM 177 O TYR A 12 67.508 -4.978 -5.205 1.00 0.00 O ATOM 178 CB TYR A 12 66.189 -3.748 -2.633 1.00 0.00 C ATOM 179 CG TYR A 12 65.301 -3.821 -1.408 1.00 0.00 C ATOM 180 CD1 TYR A 12 64.123 -3.089 -1.335 1.00 0.00 C ATOM 181 CD2 TYR A 12 65.648 -4.614 -0.320 1.00 0.00 C ATOM 182 CE1 TYR A 12 63.319 -3.143 -0.213 1.00 0.00 C ATOM 183 CE2 TYR A 12 64.848 -4.676 0.804 1.00 0.00 C ATOM 184 CZ TYR A 12 63.685 -3.939 0.853 1.00 0.00 C ATOM 185 OH TYR A 12 62.886 -3.988 1.973 1.00 0.00 O ATOM 0 H TYR A 12 66.063 -6.316 -3.181 1.00 0.00 H new ATOM 0 HA TYR A 12 64.643 -3.909 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 12 67.140 -4.230 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 12 66.405 -2.702 -2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 12 63.831 -2.468 -2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 12 66.560 -5.192 -0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 12 62.408 -2.565 -0.170 1.00 0.00 H new ATOM 0 HE2 TYR A 12 65.132 -5.298 1.640 1.00 0.00 H new ATOM 0 HH TYR A 12 63.395 -3.680 2.752 1.00 0.00 H new ATOM 195 N PRO A 13 66.289 -3.226 -5.922 1.00 0.00 N ATOM 196 CA PRO A 13 67.141 -2.931 -7.077 1.00 0.00 C ATOM 197 C PRO A 13 68.343 -2.053 -6.720 1.00 0.00 C ATOM 198 O PRO A 13 68.509 -1.634 -5.571 1.00 0.00 O ATOM 199 CB PRO A 13 66.192 -2.181 -8.006 1.00 0.00 C ATOM 200 CG PRO A 13 65.264 -1.458 -7.089 1.00 0.00 C ATOM 201 CD PRO A 13 65.128 -2.316 -5.853 1.00 0.00 C ATOM 0 HA PRO A 13 67.578 -3.832 -7.507 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.733 -1.488 -8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 13 65.651 -2.867 -8.658 1.00 0.00 H new ATOM 0 HG2 PRO A 13 65.657 -0.473 -6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.294 -1.302 -7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 13 65.146 -1.714 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 13 64.188 -2.867 -5.851 1.00 0.00 H new ATOM 209 N VAL A 14 69.185 -1.789 -7.712 1.00 0.00 N ATOM 210 CA VAL A 14 70.339 -0.916 -7.536 1.00 0.00 C ATOM 211 C VAL A 14 69.948 0.537 -7.795 1.00 0.00 C ATOM 212 O VAL A 14 69.186 0.832 -8.721 1.00 0.00 O ATOM 213 CB VAL A 14 71.501 -1.316 -8.476 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.691 -0.383 -8.307 1.00 0.00 C ATOM 215 CG2 VAL A 14 71.924 -2.752 -8.223 1.00 0.00 C ATOM 0 H VAL A 14 69.089 -2.170 -8.653 1.00 0.00 H new ATOM 0 HA VAL A 14 70.679 -1.024 -6.506 1.00 0.00 H new ATOM 0 HB VAL A 14 71.142 -1.230 -9.502 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.492 -0.689 -8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.389 0.638 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 14 73.046 -0.428 -7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 14 72.742 -3.014 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 14 72.254 -2.857 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 14 71.080 -3.417 -8.404 1.00 0.00 H new ATOM 225 N GLY A 15 70.463 1.439 -6.971 1.00 0.00 N ATOM 226 CA GLY A 15 70.146 2.844 -7.122 1.00 0.00 C ATOM 227 C GLY A 15 68.907 3.228 -6.341 1.00 0.00 C ATOM 228 O GLY A 15 68.223 4.194 -6.679 1.00 0.00 O ATOM 0 H GLY A 15 71.095 1.222 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.990 3.445 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.995 3.071 -8.177 1.00 0.00 H new ATOM 232 N LEU A 16 68.604 2.446 -5.318 1.00 0.00 N ATOM 233 CA LEU A 16 67.461 2.707 -4.459 1.00 0.00 C ATOM 234 C LEU A 16 67.918 3.206 -3.095 1.00 0.00 C ATOM 235 O LEU A 16 68.766 2.582 -2.452 1.00 0.00 O ATOM 236 CB LEU A 16 66.618 1.442 -4.296 1.00 0.00 C ATOM 237 CG LEU A 16 65.357 1.600 -3.438 1.00 0.00 C ATOM 238 CD1 LEU A 16 64.375 2.557 -4.098 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.707 0.248 -3.192 1.00 0.00 C ATOM 0 H LEU A 16 69.140 1.617 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 16 66.852 3.480 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 16 66.323 1.092 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 16 67.242 0.664 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 16 65.647 2.021 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.487 2.655 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.844 3.534 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 16 64.090 2.168 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.814 0.379 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 16 64.432 -0.202 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 16 65.409 -0.404 -2.672 1.00 0.00 H new ATOM 251 N ALA A 17 67.367 4.332 -2.670 1.00 0.00 N ATOM 252 CA ALA A 17 67.655 4.869 -1.347 1.00 0.00 C ATOM 253 C ALA A 17 66.730 4.242 -0.307 1.00 0.00 C ATOM 254 O ALA A 17 65.504 4.282 -0.439 1.00 0.00 O ATOM 255 CB ALA A 17 67.509 6.384 -1.351 1.00 0.00 C ATOM 0 H ALA A 17 66.717 4.893 -3.221 1.00 0.00 H new ATOM 0 HA ALA A 17 68.684 4.622 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.727 6.773 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 17 68.206 6.815 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 17 66.489 6.651 -1.630 1.00 0.00 H new ATOM 261 N VAL A 18 67.329 3.648 0.712 1.00 0.00 N ATOM 262 CA VAL A 18 66.586 2.992 1.776 1.00 0.00 C ATOM 263 C VAL A 18 67.004 3.546 3.136 1.00 0.00 C ATOM 264 O VAL A 18 68.060 4.168 3.263 1.00 0.00 O ATOM 265 CB VAL A 18 66.809 1.459 1.761 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.381 0.858 0.428 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.265 1.122 2.051 1.00 0.00 C ATOM 0 H VAL A 18 68.342 3.607 0.825 1.00 0.00 H new ATOM 0 HA VAL A 18 65.528 3.192 1.606 1.00 0.00 H new ATOM 0 HB VAL A 18 66.190 1.024 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.548 -0.219 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.323 1.059 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.966 1.304 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.398 0.040 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.902 1.577 1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 18 68.539 1.507 3.033 1.00 0.00 H new ATOM 277 N GLU A 19 66.168 3.337 4.137 1.00 0.00 N ATOM 278 CA GLU A 19 66.486 3.738 5.497 1.00 0.00 C ATOM 279 C GLU A 19 66.904 2.532 6.317 1.00 0.00 C ATOM 280 O GLU A 19 66.412 1.420 6.105 1.00 0.00 O ATOM 281 CB GLU A 19 65.287 4.398 6.175 1.00 0.00 C ATOM 282 CG GLU A 19 64.826 5.678 5.511 1.00 0.00 C ATOM 283 CD GLU A 19 63.727 6.362 6.294 1.00 0.00 C ATOM 284 OE1 GLU A 19 62.585 5.855 6.300 1.00 0.00 O ATOM 285 OE2 GLU A 19 63.999 7.411 6.913 1.00 0.00 O ATOM 0 H GLU A 19 65.258 2.889 4.033 1.00 0.00 H new ATOM 0 HA GLU A 19 67.304 4.456 5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 19 64.458 3.691 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.543 4.612 7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 19 65.672 6.357 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.470 5.456 4.505 1.00 0.00 H new ATOM 292 N ILE A 20 67.810 2.762 7.247 1.00 0.00 N ATOM 293 CA ILE A 20 68.226 1.729 8.174 1.00 0.00 C ATOM 294 C ILE A 20 67.209 1.603 9.294 1.00 0.00 C ATOM 295 O ILE A 20 66.974 2.560 10.036 1.00 0.00 O ATOM 296 CB ILE A 20 69.598 2.037 8.803 1.00 0.00 C ATOM 297 CG1 ILE A 20 70.652 2.290 7.720 1.00 0.00 C ATOM 298 CG2 ILE A 20 70.020 0.893 9.716 1.00 0.00 C ATOM 299 CD1 ILE A 20 70.792 1.160 6.723 1.00 0.00 C ATOM 0 H ILE A 20 68.274 3.660 7.381 1.00 0.00 H new ATOM 0 HA ILE A 20 68.300 0.801 7.608 1.00 0.00 H new ATOM 0 HB ILE A 20 69.512 2.945 9.399 1.00 0.00 H new ATOM 0 HG12 ILE A 20 70.396 3.204 7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 20 71.616 2.461 8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 20 70.991 1.119 10.157 1.00 0.00 H new ATOM 0 HG22 ILE A 20 69.282 0.769 10.508 1.00 0.00 H new ATOM 0 HG23 ILE A 20 70.089 -0.028 9.137 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.557 1.415 5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 20 71.080 0.248 7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 20 69.840 1.003 6.215 1.00 0.00 H new ATOM 311 N ASN A 21 66.612 0.435 9.425 1.00 0.00 N ATOM 312 CA ASN A 21 65.631 0.213 10.473 1.00 0.00 C ATOM 313 C ASN A 21 66.308 -0.239 11.763 1.00 0.00 C ATOM 314 O ASN A 21 67.535 -0.335 11.837 1.00 0.00 O ATOM 315 CB ASN A 21 64.562 -0.786 10.022 1.00 0.00 C ATOM 316 CG ASN A 21 65.126 -2.072 9.460 1.00 0.00 C ATOM 317 OD1 ASN A 21 66.145 -2.579 9.926 1.00 0.00 O ATOM 318 ND2 ASN A 21 64.476 -2.598 8.433 1.00 0.00 N ATOM 0 H ASN A 21 66.786 -0.371 8.824 1.00 0.00 H new ATOM 0 HA ASN A 21 65.130 1.160 10.676 1.00 0.00 H new ATOM 0 HB2 ASN A 21 63.918 -1.022 10.869 1.00 0.00 H new ATOM 0 HB3 ASN A 21 63.934 -0.315 9.266 1.00 0.00 H new ATOM 0 HD21 ASN A 21 64.817 -3.455 7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 21 63.634 -2.146 8.077 1.00 0.00 H new ATOM 325 N ASN A 22 65.506 -0.536 12.772 1.00 0.00 N ATOM 326 CA ASN A 22 66.016 -0.780 14.118 1.00 0.00 C ATOM 327 C ASN A 22 66.502 -2.208 14.299 1.00 0.00 C ATOM 328 O ASN A 22 66.513 -2.743 15.408 1.00 0.00 O ATOM 329 CB ASN A 22 64.952 -0.450 15.171 1.00 0.00 C ATOM 330 CG ASN A 22 64.557 1.012 15.168 1.00 0.00 C ATOM 331 OD1 ASN A 22 65.189 1.840 15.822 1.00 0.00 O ATOM 332 ND2 ASN A 22 63.498 1.336 14.439 1.00 0.00 N ATOM 0 H ASN A 22 64.493 -0.615 12.687 1.00 0.00 H new ATOM 0 HA ASN A 22 66.873 -0.120 14.255 1.00 0.00 H new ATOM 0 HB2 ASN A 22 64.067 -1.061 14.991 1.00 0.00 H new ATOM 0 HB3 ASN A 22 65.329 -0.718 16.158 1.00 0.00 H new ATOM 0 HD21 ASN A 22 63.179 2.304 14.406 1.00 0.00 H new ATOM 0 HD22 ASN A 22 63.003 0.617 13.911 1.00 0.00 H new ATOM 339 N ASN A 23 66.936 -2.808 13.213 1.00 0.00 N ATOM 340 CA ASN A 23 67.542 -4.130 13.269 1.00 0.00 C ATOM 341 C ASN A 23 69.052 -3.977 13.320 1.00 0.00 C ATOM 342 O ASN A 23 69.761 -4.825 13.854 1.00 0.00 O ATOM 343 CB ASN A 23 67.135 -4.995 12.070 1.00 0.00 C ATOM 344 CG ASN A 23 65.660 -5.348 12.076 1.00 0.00 C ATOM 345 OD1 ASN A 23 65.242 -6.316 12.709 1.00 0.00 O ATOM 346 ND2 ASN A 23 64.865 -4.582 11.352 1.00 0.00 N ATOM 0 H ASN A 23 66.883 -2.405 12.277 1.00 0.00 H new ATOM 0 HA ASN A 23 67.186 -4.637 14.166 1.00 0.00 H new ATOM 0 HB2 ASN A 23 67.374 -4.466 11.148 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.724 -5.912 12.073 1.00 0.00 H new ATOM 0 HD21 ASN A 23 63.866 -4.785 11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.249 -3.787 10.841 1.00 0.00 H new ATOM 353 N ALA A 24 69.529 -2.855 12.794 1.00 0.00 N ATOM 354 CA ALA A 24 70.958 -2.555 12.778 1.00 0.00 C ATOM 355 C ALA A 24 71.359 -1.721 13.992 1.00 0.00 C ATOM 356 O ALA A 24 72.342 -0.984 13.953 1.00 0.00 O ATOM 357 CB ALA A 24 71.326 -1.832 11.492 1.00 0.00 C ATOM 0 H ALA A 24 68.945 -2.134 12.371 1.00 0.00 H new ATOM 0 HA ALA A 24 71.505 -3.497 12.824 1.00 0.00 H new ATOM 0 HB1 ALA A 24 72.394 -1.613 11.490 1.00 0.00 H new ATOM 0 HB2 ALA A 24 71.084 -2.464 10.637 1.00 0.00 H new ATOM 0 HB3 ALA A 24 70.764 -0.900 11.425 1.00 0.00 H new ATOM 363 N ARG A 25 70.599 -1.854 15.075 1.00 0.00 N ATOM 364 CA ARG A 25 70.914 -1.160 16.321 1.00 0.00 C ATOM 365 C ARG A 25 72.169 -1.742 16.952 1.00 0.00 C ATOM 366 O ARG A 25 72.817 -1.110 17.786 1.00 0.00 O ATOM 367 CB ARG A 25 69.755 -1.263 17.315 1.00 0.00 C ATOM 368 CG ARG A 25 68.508 -0.505 16.895 1.00 0.00 C ATOM 369 CD ARG A 25 67.415 -0.616 17.946 1.00 0.00 C ATOM 370 NE ARG A 25 66.942 -1.991 18.117 1.00 0.00 N ATOM 371 CZ ARG A 25 66.508 -2.489 19.276 1.00 0.00 C ATOM 372 NH1 ARG A 25 66.571 -1.760 20.380 1.00 0.00 N ATOM 373 NH2 ARG A 25 66.038 -3.728 19.338 1.00 0.00 N ATOM 0 H ARG A 25 69.762 -2.435 15.116 1.00 0.00 H new ATOM 0 HA ARG A 25 71.082 -0.110 16.081 1.00 0.00 H new ATOM 0 HB2 ARG A 25 69.500 -2.314 17.451 1.00 0.00 H new ATOM 0 HB3 ARG A 25 70.086 -0.888 18.283 1.00 0.00 H new ATOM 0 HG2 ARG A 25 68.755 0.544 16.733 1.00 0.00 H new ATOM 0 HG3 ARG A 25 68.144 -0.897 15.945 1.00 0.00 H new ATOM 0 HD2 ARG A 25 67.792 -0.243 18.899 1.00 0.00 H new ATOM 0 HD3 ARG A 25 66.577 0.021 17.663 1.00 0.00 H new ATOM 0 HE ARG A 25 66.944 -2.604 17.302 1.00 0.00 H new ATOM 0 HH11 ARG A 25 66.952 -0.815 20.346 1.00 0.00 H new ATOM 0 HH12 ARG A 25 66.238 -2.144 21.264 1.00 0.00 H new ATOM 0 HH21 ARG A 25 66.007 -4.304 18.497 1.00 0.00 H new ATOM 0 HH22 ARG A 25 65.707 -4.104 20.227 1.00 0.00 H new ATOM 387 N TYR A 26 72.504 -2.956 16.548 1.00 0.00 N ATOM 388 CA TYR A 26 73.659 -3.651 17.082 1.00 0.00 C ATOM 389 C TYR A 26 74.764 -3.684 16.040 1.00 0.00 C ATOM 390 O TYR A 26 74.495 -3.608 14.841 1.00 0.00 O ATOM 391 CB TYR A 26 73.272 -5.071 17.498 1.00 0.00 C ATOM 392 CG TYR A 26 72.112 -5.107 18.467 1.00 0.00 C ATOM 393 CD1 TYR A 26 70.803 -5.165 18.008 1.00 0.00 C ATOM 394 CD2 TYR A 26 72.327 -5.069 19.839 1.00 0.00 C ATOM 395 CE1 TYR A 26 69.740 -5.185 18.887 1.00 0.00 C ATOM 396 CE2 TYR A 26 71.266 -5.089 20.725 1.00 0.00 C ATOM 397 CZ TYR A 26 69.976 -5.148 20.243 1.00 0.00 C ATOM 398 OH TYR A 26 68.916 -5.165 21.121 1.00 0.00 O ATOM 0 H TYR A 26 71.986 -3.483 15.845 1.00 0.00 H new ATOM 0 HA TYR A 26 74.022 -3.121 17.963 1.00 0.00 H new ATOM 0 HB2 TYR A 26 73.014 -5.646 16.609 1.00 0.00 H new ATOM 0 HB3 TYR A 26 74.134 -5.558 17.954 1.00 0.00 H new ATOM 0 HD1 TYR A 26 70.614 -5.195 16.945 1.00 0.00 H new ATOM 0 HD2 TYR A 26 73.337 -5.023 20.219 1.00 0.00 H new ATOM 0 HE1 TYR A 26 68.728 -5.229 18.513 1.00 0.00 H new ATOM 0 HE2 TYR A 26 71.447 -5.059 21.789 1.00 0.00 H new ATOM 0 HH TYR A 26 69.253 -5.135 22.041 1.00 0.00 H new ATOM 408 N GLY A 27 76.003 -3.763 16.497 1.00 0.00 N ATOM 409 CA GLY A 27 77.123 -3.785 15.581 1.00 0.00 C ATOM 410 C GLY A 27 77.604 -2.393 15.224 1.00 0.00 C ATOM 411 O GLY A 27 78.799 -2.103 15.306 1.00 0.00 O ATOM 0 H GLY A 27 76.253 -3.812 17.485 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.943 -4.347 16.028 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.835 -4.311 14.671 1.00 0.00 H new ATOM 415 N CYS A 28 76.675 -1.522 14.854 1.00 0.00 N ATOM 416 CA CYS A 28 77.020 -0.175 14.437 1.00 0.00 C ATOM 417 C CYS A 28 75.980 0.828 14.924 1.00 0.00 C ATOM 418 O CYS A 28 74.945 1.030 14.290 1.00 0.00 O ATOM 419 CB CYS A 28 77.162 -0.109 12.911 1.00 0.00 C ATOM 420 SG CYS A 28 75.774 -0.828 12.000 1.00 0.00 S ATOM 0 H CYS A 28 75.676 -1.727 14.835 1.00 0.00 H new ATOM 0 HA CYS A 28 77.978 0.088 14.886 1.00 0.00 H new ATOM 0 HB2 CYS A 28 77.275 0.933 12.613 1.00 0.00 H new ATOM 0 HB3 CYS A 28 78.077 -0.624 12.621 1.00 0.00 H new ATOM 0 HG CYS A 28 75.288 0.057 11.181 1.00 0.00 H new ATOM 426 N PRO A 29 76.231 1.452 16.079 1.00 0.00 N ATOM 427 CA PRO A 29 75.342 2.468 16.627 1.00 0.00 C ATOM 428 C PRO A 29 75.531 3.813 15.930 1.00 0.00 C ATOM 429 O PRO A 29 76.541 4.028 15.252 1.00 0.00 O ATOM 430 CB PRO A 29 75.765 2.531 18.089 1.00 0.00 C ATOM 431 CG PRO A 29 77.219 2.211 18.066 1.00 0.00 C ATOM 432 CD PRO A 29 77.405 1.221 16.944 1.00 0.00 C ATOM 0 HA PRO A 29 74.286 2.233 16.494 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.582 3.518 18.514 1.00 0.00 H new ATOM 0 HB3 PRO A 29 75.210 1.815 18.695 1.00 0.00 H new ATOM 0 HG2 PRO A 29 77.814 3.109 17.898 1.00 0.00 H new ATOM 0 HG3 PRO A 29 77.541 1.788 19.018 1.00 0.00 H new ATOM 0 HD2 PRO A 29 78.338 1.393 16.408 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.435 0.196 17.314 1.00 0.00 H new ATOM 440 N HIS A 30 74.555 4.709 16.097 1.00 0.00 N ATOM 441 CA HIS A 30 74.533 6.001 15.398 1.00 0.00 C ATOM 442 C HIS A 30 74.404 5.765 13.901 1.00 0.00 C ATOM 443 O HIS A 30 74.774 6.603 13.077 1.00 0.00 O ATOM 444 CB HIS A 30 75.788 6.834 15.698 1.00 0.00 C ATOM 445 CG HIS A 30 75.999 7.105 17.156 1.00 0.00 C ATOM 446 ND1 HIS A 30 77.080 6.620 17.857 1.00 0.00 N ATOM 447 CD2 HIS A 30 75.263 7.812 18.046 1.00 0.00 C ATOM 448 CE1 HIS A 30 77.002 7.012 19.114 1.00 0.00 C ATOM 449 NE2 HIS A 30 75.909 7.736 19.254 1.00 0.00 N ATOM 0 H HIS A 30 73.759 4.562 16.718 1.00 0.00 H new ATOM 0 HA HIS A 30 73.674 6.567 15.758 1.00 0.00 H new ATOM 0 HB2 HIS A 30 76.661 6.313 15.305 1.00 0.00 H new ATOM 0 HB3 HIS A 30 75.718 7.784 15.168 1.00 0.00 H new ATOM 0 HD2 HIS A 30 74.341 8.337 17.843 1.00 0.00 H new ATOM 0 HE1 HIS A 30 77.712 6.780 19.894 1.00 0.00 H new ATOM 0 HE2 HIS A 30 75.594 8.170 20.122 1.00 0.00 H new ATOM 458 N HIS A 31 73.853 4.613 13.567 1.00 0.00 N ATOM 459 CA HIS A 31 73.719 4.189 12.186 1.00 0.00 C ATOM 460 C HIS A 31 72.275 3.770 11.920 1.00 0.00 C ATOM 461 O HIS A 31 71.936 3.299 10.838 1.00 0.00 O ATOM 462 CB HIS A 31 74.689 3.029 11.920 1.00 0.00 C ATOM 463 CG HIS A 31 74.860 2.676 10.474 1.00 0.00 C ATOM 464 ND1 HIS A 31 74.515 1.451 9.953 1.00 0.00 N ATOM 465 CD2 HIS A 31 75.370 3.389 9.444 1.00 0.00 C ATOM 466 CE1 HIS A 31 74.804 1.429 8.665 1.00 0.00 C ATOM 467 NE2 HIS A 31 75.325 2.589 8.333 1.00 0.00 N ATOM 0 H HIS A 31 73.486 3.945 14.245 1.00 0.00 H new ATOM 0 HA HIS A 31 73.966 5.010 11.513 1.00 0.00 H new ATOM 0 HB2 HIS A 31 75.664 3.286 12.335 1.00 0.00 H new ATOM 0 HB3 HIS A 31 74.336 2.148 12.456 1.00 0.00 H new ATOM 0 HD2 HIS A 31 75.743 4.401 9.489 1.00 0.00 H new ATOM 0 HE1 HIS A 31 74.640 0.597 7.996 1.00 0.00 H new ATOM 0 HE2 HIS A 31 75.644 2.851 7.400 1.00 0.00 H new ATOM 476 N VAL A 32 71.426 3.961 12.923 1.00 0.00 N ATOM 477 CA VAL A 32 70.017 3.612 12.820 1.00 0.00 C ATOM 478 C VAL A 32 69.214 4.837 12.388 1.00 0.00 C ATOM 479 O VAL A 32 69.524 5.958 12.800 1.00 0.00 O ATOM 480 CB VAL A 32 69.467 3.084 14.164 1.00 0.00 C ATOM 481 CG1 VAL A 32 68.050 2.550 14.005 1.00 0.00 C ATOM 482 CG2 VAL A 32 70.387 2.014 14.738 1.00 0.00 C ATOM 0 H VAL A 32 71.693 4.359 13.823 1.00 0.00 H new ATOM 0 HA VAL A 32 69.919 2.821 12.077 1.00 0.00 H new ATOM 0 HB VAL A 32 69.433 3.918 14.865 1.00 0.00 H new ATOM 0 HG11 VAL A 32 67.689 2.185 14.966 1.00 0.00 H new ATOM 0 HG12 VAL A 32 67.398 3.349 13.651 1.00 0.00 H new ATOM 0 HG13 VAL A 32 68.048 1.733 13.283 1.00 0.00 H new ATOM 0 HG21 VAL A 32 69.982 1.655 15.684 1.00 0.00 H new ATOM 0 HG22 VAL A 32 70.461 1.183 14.037 1.00 0.00 H new ATOM 0 HG23 VAL A 32 71.378 2.437 14.905 1.00 0.00 H new ATOM 492 N GLY A 33 68.202 4.625 11.550 1.00 0.00 N ATOM 493 CA GLY A 33 67.423 5.733 11.027 1.00 0.00 C ATOM 494 C GLY A 33 68.187 6.489 9.964 1.00 0.00 C ATOM 495 O GLY A 33 67.817 7.597 9.578 1.00 0.00 O ATOM 0 H GLY A 33 67.908 3.704 11.224 1.00 0.00 H new ATOM 0 HA2 GLY A 33 66.489 5.358 10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.159 6.410 11.839 1.00 0.00 H new ATOM 499 N ARG A 34 69.256 5.870 9.490 1.00 0.00 N ATOM 500 CA ARG A 34 70.150 6.490 8.528 1.00 0.00 C ATOM 501 C ARG A 34 69.676 6.187 7.114 1.00 0.00 C ATOM 502 O ARG A 34 68.857 5.290 6.914 1.00 0.00 O ATOM 503 CB ARG A 34 71.564 5.960 8.754 1.00 0.00 C ATOM 504 CG ARG A 34 72.667 6.907 8.322 1.00 0.00 C ATOM 505 CD ARG A 34 73.966 6.555 9.020 1.00 0.00 C ATOM 506 NE ARG A 34 75.094 7.347 8.552 1.00 0.00 N ATOM 507 CZ ARG A 34 76.159 7.625 9.305 1.00 0.00 C ATOM 508 NH1 ARG A 34 76.152 7.342 10.605 1.00 0.00 N ATOM 509 NH2 ARG A 34 77.216 8.212 8.771 1.00 0.00 N ATOM 0 H ARG A 34 69.527 4.925 9.761 1.00 0.00 H new ATOM 0 HA ARG A 34 70.151 7.572 8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 34 71.689 5.736 9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 34 71.677 5.020 8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 34 72.800 6.852 7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.387 7.934 8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 34 73.847 6.701 10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 34 74.181 5.498 8.864 1.00 0.00 H new ATOM 0 HE ARG A 34 75.069 7.708 7.598 1.00 0.00 H new ATOM 0 HH11 ARG A 34 75.330 6.911 11.029 1.00 0.00 H new ATOM 0 HH12 ARG A 34 76.968 7.556 11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 34 77.219 8.454 7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 34 78.029 8.423 9.350 1.00 0.00 H new ATOM 523 N LYS A 35 70.177 6.926 6.141 1.00 0.00 N ATOM 524 CA LYS A 35 69.746 6.750 4.767 1.00 0.00 C ATOM 525 C LYS A 35 70.903 6.269 3.909 1.00 0.00 C ATOM 526 O LYS A 35 71.926 6.943 3.803 1.00 0.00 O ATOM 527 CB LYS A 35 69.196 8.064 4.215 1.00 0.00 C ATOM 528 CG LYS A 35 68.058 8.638 5.042 1.00 0.00 C ATOM 529 CD LYS A 35 67.654 10.021 4.561 1.00 0.00 C ATOM 530 CE LYS A 35 68.817 11.001 4.632 1.00 0.00 C ATOM 531 NZ LYS A 35 69.393 11.090 6.003 1.00 0.00 N ATOM 0 H LYS A 35 70.881 7.652 6.276 1.00 0.00 H new ATOM 0 HA LYS A 35 68.956 5.999 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 35 70.003 8.795 4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 35 68.848 7.903 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 35 67.198 7.970 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 35 68.359 8.690 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 35 67.292 9.959 3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 35 66.828 10.391 5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 35 69.594 10.692 3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 35 68.478 11.988 4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 69.627 12.080 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 68.699 10.741 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 70.255 10.511 6.055 1.00 0.00 H new ATOM 545 N GLY A 36 70.736 5.108 3.300 1.00 0.00 N ATOM 546 CA GLY A 36 71.777 4.555 2.465 1.00 0.00 C ATOM 547 C GLY A 36 71.240 4.111 1.123 1.00 0.00 C ATOM 548 O GLY A 36 70.082 3.721 1.012 1.00 0.00 O ATOM 0 H GLY A 36 69.894 4.537 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.558 5.300 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.238 3.707 2.971 1.00 0.00 H new ATOM 552 N LYS A 37 72.075 4.161 0.102 1.00 0.00 N ATOM 553 CA LYS A 37 71.661 3.778 -1.235 1.00 0.00 C ATOM 554 C LYS A 37 72.371 2.499 -1.667 1.00 0.00 C ATOM 555 O LYS A 37 73.592 2.379 -1.542 1.00 0.00 O ATOM 556 CB LYS A 37 71.941 4.920 -2.213 1.00 0.00 C ATOM 557 CG LYS A 37 71.471 4.648 -3.633 1.00 0.00 C ATOM 558 CD LYS A 37 71.413 5.927 -4.452 1.00 0.00 C ATOM 559 CE LYS A 37 72.753 6.648 -4.483 1.00 0.00 C ATOM 560 NZ LYS A 37 72.671 7.930 -5.230 1.00 0.00 N ATOM 0 H LYS A 37 73.046 4.464 0.173 1.00 0.00 H new ATOM 0 HA LYS A 37 70.589 3.580 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 37 71.455 5.825 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 37 73.013 5.117 -2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 37 72.146 3.938 -4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 37 70.485 4.184 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 37 71.105 5.691 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 37 70.655 6.590 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 37 73.085 6.842 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 37 73.502 6.005 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 73.603 8.392 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 72.378 7.743 -6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 71.975 8.554 -4.774 1.00 0.00 H new ATOM 574 N ILE A 38 71.594 1.537 -2.147 1.00 0.00 N ATOM 575 CA ILE A 38 72.131 0.254 -2.583 1.00 0.00 C ATOM 576 C ILE A 38 72.841 0.401 -3.924 1.00 0.00 C ATOM 577 O ILE A 38 72.242 0.855 -4.902 1.00 0.00 O ATOM 578 CB ILE A 38 71.012 -0.799 -2.721 1.00 0.00 C ATOM 579 CG1 ILE A 38 70.213 -0.896 -1.419 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.600 -2.155 -3.089 1.00 0.00 C ATOM 581 CD1 ILE A 38 69.002 -1.796 -1.518 1.00 0.00 C ATOM 0 H ILE A 38 70.582 1.622 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 38 72.841 -0.078 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 38 70.338 -0.489 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.866 -1.265 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.890 0.103 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.797 -2.886 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 38 72.131 -2.076 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 38 72.293 -2.474 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.485 -1.817 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 38 68.328 -1.416 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 38 69.319 -2.805 -1.781 1.00 0.00 H new ATOM 593 N ILE A 39 74.113 0.017 -3.971 1.00 0.00 N ATOM 594 CA ILE A 39 74.905 0.176 -5.189 1.00 0.00 C ATOM 595 C ILE A 39 75.424 -1.159 -5.714 1.00 0.00 C ATOM 596 O ILE A 39 76.018 -1.221 -6.790 1.00 0.00 O ATOM 597 CB ILE A 39 76.107 1.117 -4.970 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.985 0.600 -3.827 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.625 2.531 -4.681 1.00 0.00 C ATOM 600 CD1 ILE A 39 78.337 1.272 -3.745 1.00 0.00 C ATOM 0 H ILE A 39 74.615 -0.403 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 39 74.231 0.612 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 39 76.706 1.138 -5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 39 76.459 0.745 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 39 77.130 -0.473 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.484 3.184 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 39 75.038 2.895 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 39 75.007 2.528 -3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.901 0.853 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.883 1.105 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 39 78.202 2.343 -3.591 1.00 0.00 H new ATOM 612 N GLU A 40 75.205 -2.225 -4.957 1.00 0.00 N ATOM 613 CA GLU A 40 75.717 -3.538 -5.335 1.00 0.00 C ATOM 614 C GLU A 40 74.812 -4.646 -4.814 1.00 0.00 C ATOM 615 O GLU A 40 74.385 -4.622 -3.658 1.00 0.00 O ATOM 616 CB GLU A 40 77.133 -3.729 -4.779 1.00 0.00 C ATOM 617 CG GLU A 40 77.781 -5.057 -5.149 1.00 0.00 C ATOM 618 CD GLU A 40 78.214 -5.126 -6.597 1.00 0.00 C ATOM 619 OE1 GLU A 40 77.407 -5.551 -7.446 1.00 0.00 O ATOM 620 OE2 GLU A 40 79.372 -4.759 -6.890 1.00 0.00 O ATOM 0 H GLU A 40 74.680 -2.209 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 40 75.742 -3.592 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.765 -2.917 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 40 77.098 -3.646 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.648 -5.222 -4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.078 -5.865 -4.948 1.00 0.00 H new ATOM 627 N HIS A 41 74.509 -5.598 -5.683 1.00 0.00 N ATOM 628 CA HIS A 41 73.793 -6.800 -5.290 1.00 0.00 C ATOM 629 C HIS A 41 74.780 -7.869 -4.850 1.00 0.00 C ATOM 630 O HIS A 41 75.488 -8.445 -5.676 1.00 0.00 O ATOM 631 CB HIS A 41 72.943 -7.335 -6.445 1.00 0.00 C ATOM 632 CG HIS A 41 71.674 -6.579 -6.675 1.00 0.00 C ATOM 633 ND1 HIS A 41 71.219 -6.241 -7.929 1.00 0.00 N ATOM 634 CD2 HIS A 41 70.739 -6.135 -5.804 1.00 0.00 C ATOM 635 CE1 HIS A 41 70.055 -5.625 -7.820 1.00 0.00 C ATOM 636 NE2 HIS A 41 69.742 -5.548 -6.540 1.00 0.00 N ATOM 0 H HIS A 41 74.751 -5.559 -6.673 1.00 0.00 H new ATOM 0 HA HIS A 41 73.132 -6.546 -4.461 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.537 -7.312 -7.359 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.700 -8.379 -6.249 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.772 -6.226 -4.728 1.00 0.00 H new ATOM 0 HE1 HIS A 41 69.461 -5.248 -8.639 1.00 0.00 H new ATOM 0 HE2 HIS A 41 68.897 -5.122 -6.160 1.00 0.00 H new ATOM 645 N LEU A 42 74.832 -8.125 -3.557 1.00 0.00 N ATOM 646 CA LEU A 42 75.755 -9.104 -3.014 1.00 0.00 C ATOM 647 C LEU A 42 75.137 -10.491 -3.063 1.00 0.00 C ATOM 648 O LEU A 42 74.039 -10.707 -2.554 1.00 0.00 O ATOM 649 CB LEU A 42 76.124 -8.756 -1.571 1.00 0.00 C ATOM 650 CG LEU A 42 76.825 -7.413 -1.373 1.00 0.00 C ATOM 651 CD1 LEU A 42 77.068 -7.164 0.105 1.00 0.00 C ATOM 652 CD2 LEU A 42 78.138 -7.374 -2.138 1.00 0.00 C ATOM 0 H LEU A 42 74.244 -7.667 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 42 76.661 -9.092 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 75.214 -8.762 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.769 -9.543 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 42 76.180 -6.625 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.568 -6.204 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.115 -7.151 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.696 -7.958 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.621 -6.409 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.792 -8.169 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.944 -7.516 -3.201 1.00 0.00 H new ATOM 664 N HIS A 43 75.835 -11.425 -3.686 1.00 0.00 N ATOM 665 CA HIS A 43 75.364 -12.806 -3.741 1.00 0.00 C ATOM 666 C HIS A 43 75.808 -13.568 -2.492 1.00 0.00 C ATOM 667 O HIS A 43 76.545 -14.552 -2.564 1.00 0.00 O ATOM 668 CB HIS A 43 75.837 -13.513 -5.030 1.00 0.00 C ATOM 669 CG HIS A 43 77.330 -13.624 -5.187 1.00 0.00 C ATOM 670 ND1 HIS A 43 78.295 -12.678 -5.213 1.00 0.00 N flip ATOM 671 CD2 HIS A 43 77.976 -14.827 -5.357 1.00 0.00 C flip ATOM 672 CE1 HIS A 43 79.493 -13.320 -5.392 1.00 0.00 C flip ATOM 673 NE2 HIS A 43 79.271 -14.617 -5.476 1.00 0.00 N flip ATOM 0 H HIS A 43 76.723 -11.259 -4.159 1.00 0.00 H new ATOM 0 HA HIS A 43 74.274 -12.794 -3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 43 75.409 -14.515 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 43 75.436 -12.975 -5.889 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.496 -15.794 -5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.460 -12.842 -5.454 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.982 -15.336 -5.610 1.00 0.00 H new ATOM 682 N SER A 44 75.359 -13.096 -1.341 1.00 0.00 N ATOM 683 CA SER A 44 75.710 -13.717 -0.077 1.00 0.00 C ATOM 684 C SER A 44 74.452 -13.991 0.731 1.00 0.00 C ATOM 685 O SER A 44 73.435 -13.319 0.564 1.00 0.00 O ATOM 686 CB SER A 44 76.676 -12.824 0.712 1.00 0.00 C ATOM 687 OG SER A 44 77.187 -13.500 1.852 1.00 0.00 O ATOM 0 H SER A 44 74.749 -12.283 -1.257 1.00 0.00 H new ATOM 0 HA SER A 44 76.212 -14.664 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.500 -12.518 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.162 -11.915 1.025 1.00 0.00 H new ATOM 0 HG SER A 44 76.931 -13.013 2.663 1.00 0.00 H new ATOM 693 N ALA A 45 74.520 -14.988 1.598 1.00 0.00 N ATOM 694 CA ALA A 45 73.387 -15.354 2.430 1.00 0.00 C ATOM 695 C ALA A 45 73.304 -14.425 3.625 1.00 0.00 C ATOM 696 O ALA A 45 72.221 -14.146 4.138 1.00 0.00 O ATOM 697 CB ALA A 45 73.505 -16.796 2.889 1.00 0.00 C ATOM 0 H ALA A 45 75.352 -15.560 1.744 1.00 0.00 H new ATOM 0 HA ALA A 45 72.475 -15.257 1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 45 72.647 -17.051 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 45 73.532 -17.453 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 45 74.421 -16.920 3.466 1.00 0.00 H new ATOM 703 N THR A 46 74.458 -13.938 4.047 1.00 0.00 N ATOM 704 CA THR A 46 74.542 -13.033 5.175 1.00 0.00 C ATOM 705 C THR A 46 74.023 -11.651 4.797 1.00 0.00 C ATOM 706 O THR A 46 73.246 -11.044 5.534 1.00 0.00 O ATOM 707 CB THR A 46 75.995 -12.924 5.666 1.00 0.00 C ATOM 708 OG1 THR A 46 76.876 -12.805 4.539 1.00 0.00 O ATOM 709 CG2 THR A 46 76.385 -14.138 6.494 1.00 0.00 C ATOM 0 H THR A 46 75.357 -14.158 3.619 1.00 0.00 H new ATOM 0 HA THR A 46 73.922 -13.433 5.977 1.00 0.00 H new ATOM 0 HB THR A 46 76.079 -12.039 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.802 -12.734 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 46 77.417 -14.034 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 46 75.729 -14.213 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 46 76.289 -15.038 5.887 1.00 0.00 H new ATOM 717 N TYR A 47 74.444 -11.172 3.633 1.00 0.00 N ATOM 718 CA TYR A 47 74.075 -9.842 3.167 1.00 0.00 C ATOM 719 C TYR A 47 73.791 -9.879 1.676 1.00 0.00 C ATOM 720 O TYR A 47 74.575 -10.433 0.905 1.00 0.00 O ATOM 721 CB TYR A 47 75.191 -8.831 3.460 1.00 0.00 C ATOM 722 CG TYR A 47 75.602 -8.777 4.916 1.00 0.00 C ATOM 723 CD1 TYR A 47 74.755 -8.239 5.878 1.00 0.00 C ATOM 724 CD2 TYR A 47 76.833 -9.271 5.328 1.00 0.00 C ATOM 725 CE1 TYR A 47 75.125 -8.195 7.208 1.00 0.00 C ATOM 726 CE2 TYR A 47 77.208 -9.231 6.657 1.00 0.00 C ATOM 727 CZ TYR A 47 76.350 -8.693 7.591 1.00 0.00 C ATOM 728 OH TYR A 47 76.722 -8.655 8.916 1.00 0.00 O ATOM 0 H TYR A 47 75.045 -11.689 2.991 1.00 0.00 H new ATOM 0 HA TYR A 47 73.178 -9.527 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 47 76.063 -9.081 2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 47 74.861 -7.840 3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 47 73.793 -7.849 5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 47 77.508 -9.693 4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 47 74.457 -7.772 7.944 1.00 0.00 H new ATOM 0 HE2 TYR A 47 78.168 -9.619 6.962 1.00 0.00 H new ATOM 0 HH TYR A 47 77.614 -9.047 9.017 1.00 0.00 H new ATOM 738 N ASP A 48 72.674 -9.298 1.273 1.00 0.00 N ATOM 739 CA ASP A 48 72.272 -9.315 -0.129 1.00 0.00 C ATOM 740 C ASP A 48 72.577 -7.986 -0.807 1.00 0.00 C ATOM 741 O ASP A 48 72.568 -7.887 -2.033 1.00 0.00 O ATOM 742 CB ASP A 48 70.774 -9.614 -0.265 1.00 0.00 C ATOM 743 CG ASP A 48 70.388 -11.001 0.211 1.00 0.00 C ATOM 744 OD1 ASP A 48 70.253 -11.192 1.436 1.00 0.00 O ATOM 745 OD2 ASP A 48 70.205 -11.902 -0.634 1.00 0.00 O ATOM 0 H ASP A 48 72.028 -8.809 1.893 1.00 0.00 H new ATOM 0 HA ASP A 48 72.845 -10.103 -0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.211 -8.874 0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.483 -9.503 -1.310 1.00 0.00 H new ATOM 750 N TYR A 49 72.847 -6.956 -0.016 1.00 0.00 N ATOM 751 CA TYR A 49 73.008 -5.617 -0.568 1.00 0.00 C ATOM 752 C TYR A 49 74.191 -4.885 0.046 1.00 0.00 C ATOM 753 O TYR A 49 74.485 -5.042 1.234 1.00 0.00 O ATOM 754 CB TYR A 49 71.744 -4.786 -0.330 1.00 0.00 C ATOM 755 CG TYR A 49 70.462 -5.479 -0.724 1.00 0.00 C ATOM 756 CD1 TYR A 49 70.030 -5.495 -2.043 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.684 -6.117 0.230 1.00 0.00 C ATOM 758 CE1 TYR A 49 68.859 -6.132 -2.398 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.514 -6.755 -0.117 1.00 0.00 C ATOM 760 CZ TYR A 49 68.103 -6.760 -1.430 1.00 0.00 C ATOM 761 OH TYR A 49 66.935 -7.394 -1.777 1.00 0.00 O ATOM 0 H TYR A 49 72.958 -7.019 0.996 1.00 0.00 H new ATOM 0 HA TYR A 49 73.188 -5.737 -1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.691 -4.521 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.826 -3.853 -0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.619 -5.002 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 49 70.001 -6.114 1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.536 -6.139 -3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 49 67.921 -7.249 0.638 1.00 0.00 H new ATOM 0 HH TYR A 49 66.187 -6.991 -1.289 1.00 0.00 H new ATOM 771 N ALA A 50 74.862 -4.088 -0.773 1.00 0.00 N ATOM 772 CA ALA A 50 75.869 -3.162 -0.285 1.00 0.00 C ATOM 773 C ALA A 50 75.286 -1.761 -0.286 1.00 0.00 C ATOM 774 O ALA A 50 75.068 -1.164 -1.344 1.00 0.00 O ATOM 775 CB ALA A 50 77.130 -3.219 -1.130 1.00 0.00 C ATOM 0 H ALA A 50 74.725 -4.066 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 50 76.150 -3.444 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.863 -2.514 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.543 -4.227 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.890 -2.957 -2.160 1.00 0.00 H new ATOM 781 N VAL A 51 75.010 -1.257 0.900 1.00 0.00 N ATOM 782 CA VAL A 51 74.305 -0.002 1.061 1.00 0.00 C ATOM 783 C VAL A 51 75.263 1.105 1.469 1.00 0.00 C ATOM 784 O VAL A 51 75.873 1.051 2.534 1.00 0.00 O ATOM 785 CB VAL A 51 73.192 -0.142 2.121 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.384 1.137 2.246 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.285 -1.317 1.790 1.00 0.00 C ATOM 0 H VAL A 51 75.268 -1.706 1.779 1.00 0.00 H new ATOM 0 HA VAL A 51 73.855 0.258 0.103 1.00 0.00 H new ATOM 0 HB VAL A 51 73.669 -0.330 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.609 1.005 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.041 1.955 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 51 71.921 1.370 1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.506 -1.400 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.826 -1.159 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.872 -2.235 1.770 1.00 0.00 H new ATOM 797 N SER A 52 75.412 2.095 0.610 1.00 0.00 N ATOM 798 CA SER A 52 76.256 3.234 0.915 1.00 0.00 C ATOM 799 C SER A 52 75.443 4.328 1.593 1.00 0.00 C ATOM 800 O SER A 52 74.579 4.944 0.965 1.00 0.00 O ATOM 801 CB SER A 52 76.900 3.770 -0.361 1.00 0.00 C ATOM 802 OG SER A 52 77.617 2.748 -1.028 1.00 0.00 O ATOM 0 H SER A 52 74.960 2.134 -0.304 1.00 0.00 H new ATOM 0 HA SER A 52 77.043 2.912 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 52 76.131 4.172 -1.021 1.00 0.00 H new ATOM 0 HB3 SER A 52 77.572 4.593 -0.117 1.00 0.00 H new ATOM 0 HG SER A 52 78.369 3.142 -1.518 1.00 0.00 H new ATOM 808 N ASP A 53 75.706 4.544 2.876 1.00 0.00 N ATOM 809 CA ASP A 53 75.045 5.597 3.639 1.00 0.00 C ATOM 810 C ASP A 53 75.303 6.950 2.996 1.00 0.00 C ATOM 811 O ASP A 53 76.249 7.104 2.217 1.00 0.00 O ATOM 812 CB ASP A 53 75.537 5.611 5.089 1.00 0.00 C ATOM 813 CG ASP A 53 75.138 4.373 5.869 1.00 0.00 C ATOM 814 OD1 ASP A 53 75.897 3.378 5.853 1.00 0.00 O ATOM 815 OD2 ASP A 53 74.084 4.394 6.532 1.00 0.00 O ATOM 0 H ASP A 53 76.379 3.998 3.415 1.00 0.00 H new ATOM 0 HA ASP A 53 73.974 5.396 3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 53 76.623 5.702 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.140 6.493 5.592 1.00 0.00 H new ATOM 820 N GLU A 54 74.482 7.936 3.337 1.00 0.00 N ATOM 821 CA GLU A 54 74.552 9.251 2.710 1.00 0.00 C ATOM 822 C GLU A 54 75.904 9.920 2.961 1.00 0.00 C ATOM 823 O GLU A 54 76.313 10.811 2.217 1.00 0.00 O ATOM 824 CB GLU A 54 73.409 10.159 3.194 1.00 0.00 C ATOM 825 CG GLU A 54 73.516 10.610 4.647 1.00 0.00 C ATOM 826 CD GLU A 54 73.172 9.526 5.651 1.00 0.00 C ATOM 827 OE1 GLU A 54 74.085 8.784 6.066 1.00 0.00 O ATOM 828 OE2 GLU A 54 71.987 9.438 6.049 1.00 0.00 O ATOM 0 H GLU A 54 73.756 7.849 4.048 1.00 0.00 H new ATOM 0 HA GLU A 54 74.442 9.102 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.372 11.043 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.465 9.631 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 54 74.531 10.958 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.853 11.461 4.803 1.00 0.00 H new ATOM 835 N THR A 55 76.595 9.475 4.001 1.00 0.00 N ATOM 836 CA THR A 55 77.905 10.003 4.340 1.00 0.00 C ATOM 837 C THR A 55 79.008 9.369 3.493 1.00 0.00 C ATOM 838 O THR A 55 80.154 9.820 3.515 1.00 0.00 O ATOM 839 CB THR A 55 78.204 9.769 5.827 1.00 0.00 C ATOM 840 OG1 THR A 55 77.830 8.433 6.185 1.00 0.00 O ATOM 841 CG2 THR A 55 77.450 10.764 6.692 1.00 0.00 C ATOM 0 H THR A 55 76.264 8.742 4.629 1.00 0.00 H new ATOM 0 HA THR A 55 77.888 11.073 4.132 1.00 0.00 H new ATOM 0 HB THR A 55 79.272 9.909 5.995 1.00 0.00 H new ATOM 0 HG1 THR A 55 78.618 7.851 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 55 77.677 10.579 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 55 77.752 11.778 6.428 1.00 0.00 H new ATOM 0 HG23 THR A 55 76.378 10.651 6.527 1.00 0.00 H new ATOM 849 N GLY A 56 78.659 8.323 2.752 1.00 0.00 N ATOM 850 CA GLY A 56 79.630 7.661 1.901 1.00 0.00 C ATOM 851 C GLY A 56 80.161 6.377 2.510 1.00 0.00 C ATOM 852 O GLY A 56 81.161 5.829 2.040 1.00 0.00 O ATOM 0 H GLY A 56 77.722 7.922 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 56 79.171 7.439 0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.462 8.339 1.710 1.00 0.00 H new ATOM 856 N ASP A 57 79.499 5.897 3.555 1.00 0.00 N ATOM 857 CA ASP A 57 79.903 4.663 4.222 1.00 0.00 C ATOM 858 C ASP A 57 79.282 3.455 3.534 1.00 0.00 C ATOM 859 O ASP A 57 78.064 3.346 3.437 1.00 0.00 O ATOM 860 CB ASP A 57 79.492 4.679 5.699 1.00 0.00 C ATOM 861 CG ASP A 57 80.294 5.666 6.525 1.00 0.00 C ATOM 862 OD1 ASP A 57 79.878 6.842 6.630 1.00 0.00 O ATOM 863 OD2 ASP A 57 81.344 5.273 7.079 1.00 0.00 O ATOM 0 H ASP A 57 78.677 6.344 3.961 1.00 0.00 H new ATOM 0 HA ASP A 57 80.989 4.592 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 57 78.433 4.927 5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 57 79.615 3.679 6.116 1.00 0.00 H new ATOM 868 N ILE A 58 80.121 2.558 3.043 1.00 0.00 N ATOM 869 CA ILE A 58 79.636 1.347 2.396 1.00 0.00 C ATOM 870 C ILE A 58 79.391 0.255 3.432 1.00 0.00 C ATOM 871 O ILE A 58 80.327 -0.397 3.896 1.00 0.00 O ATOM 872 CB ILE A 58 80.624 0.830 1.324 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.915 1.930 0.298 1.00 0.00 C ATOM 874 CG2 ILE A 58 80.060 -0.410 0.633 1.00 0.00 C ATOM 875 CD1 ILE A 58 81.927 1.528 -0.754 1.00 0.00 C ATOM 0 H ILE A 58 81.137 2.643 3.079 1.00 0.00 H new ATOM 0 HA ILE A 58 78.699 1.599 1.899 1.00 0.00 H new ATOM 0 HB ILE A 58 81.558 0.555 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.984 2.211 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 58 81.279 2.815 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 58 80.767 -0.761 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.895 -1.195 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 58 79.114 -0.160 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 58 82.082 2.357 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.872 1.275 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 58 81.557 0.662 -1.303 1.00 0.00 H new ATOM 887 N THR A 59 78.132 0.069 3.799 1.00 0.00 N ATOM 888 CA THR A 59 77.769 -0.912 4.803 1.00 0.00 C ATOM 889 C THR A 59 76.962 -2.045 4.167 1.00 0.00 C ATOM 890 O THR A 59 76.106 -1.808 3.318 1.00 0.00 O ATOM 891 CB THR A 59 76.947 -0.262 5.934 1.00 0.00 C ATOM 892 OG1 THR A 59 77.524 1.001 6.305 1.00 0.00 O ATOM 893 CG2 THR A 59 76.904 -1.170 7.156 1.00 0.00 C ATOM 0 H THR A 59 77.344 0.588 3.413 1.00 0.00 H new ATOM 0 HA THR A 59 78.687 -1.317 5.228 1.00 0.00 H new ATOM 0 HB THR A 59 75.932 -0.106 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 59 76.896 1.723 6.092 1.00 0.00 H new ATOM 0 HG21 THR A 59 76.319 -0.694 7.943 1.00 0.00 H new ATOM 0 HG22 THR A 59 76.444 -2.121 6.887 1.00 0.00 H new ATOM 0 HG23 THR A 59 77.918 -1.347 7.514 1.00 0.00 H new ATOM 901 N TYR A 60 77.244 -3.276 4.566 1.00 0.00 N ATOM 902 CA TYR A 60 76.568 -4.430 3.989 1.00 0.00 C ATOM 903 C TYR A 60 75.315 -4.764 4.788 1.00 0.00 C ATOM 904 O TYR A 60 75.347 -4.788 6.019 1.00 0.00 O ATOM 905 CB TYR A 60 77.510 -5.634 3.961 1.00 0.00 C ATOM 906 CG TYR A 60 78.869 -5.324 3.374 1.00 0.00 C ATOM 907 CD1 TYR A 60 79.002 -4.901 2.056 1.00 0.00 C ATOM 908 CD2 TYR A 60 80.018 -5.443 4.144 1.00 0.00 C ATOM 909 CE1 TYR A 60 80.242 -4.611 1.524 1.00 0.00 C ATOM 910 CE2 TYR A 60 81.262 -5.153 3.619 1.00 0.00 C ATOM 911 CZ TYR A 60 81.368 -4.737 2.308 1.00 0.00 C ATOM 912 OH TYR A 60 82.605 -4.448 1.781 1.00 0.00 O ATOM 0 H TYR A 60 77.933 -3.502 5.284 1.00 0.00 H new ATOM 0 HA TYR A 60 76.276 -4.187 2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.639 -6.008 4.977 1.00 0.00 H new ATOM 0 HB3 TYR A 60 77.047 -6.434 3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 60 78.121 -4.798 1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.938 -5.768 5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 60 80.329 -4.287 0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 60 82.146 -5.251 4.231 1.00 0.00 H new ATOM 0 HH TYR A 60 83.293 -4.587 2.465 1.00 0.00 H new ATOM 922 N PHE A 61 74.217 -5.017 4.087 1.00 0.00 N ATOM 923 CA PHE A 61 72.943 -5.311 4.736 1.00 0.00 C ATOM 924 C PHE A 61 72.177 -6.398 4.002 1.00 0.00 C ATOM 925 O PHE A 61 72.547 -6.809 2.899 1.00 0.00 O ATOM 926 CB PHE A 61 72.067 -4.059 4.815 1.00 0.00 C ATOM 927 CG PHE A 61 72.482 -3.090 5.876 1.00 0.00 C ATOM 928 CD1 PHE A 61 72.229 -3.361 7.209 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.125 -1.910 5.544 1.00 0.00 C ATOM 930 CE1 PHE A 61 72.608 -2.473 8.193 1.00 0.00 C ATOM 931 CE2 PHE A 61 73.506 -1.018 6.525 1.00 0.00 C ATOM 932 CZ PHE A 61 73.247 -1.302 7.851 1.00 0.00 C ATOM 0 H PHE A 61 74.182 -5.025 3.068 1.00 0.00 H new ATOM 0 HA PHE A 61 73.177 -5.660 5.742 1.00 0.00 H new ATOM 0 HB2 PHE A 61 72.086 -3.554 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.036 -4.361 4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 61 71.729 -4.279 7.482 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.330 -1.686 4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 61 72.404 -2.695 9.230 1.00 0.00 H new ATOM 0 HE2 PHE A 61 74.006 -0.099 6.256 1.00 0.00 H new ATOM 0 HZ PHE A 61 73.546 -0.605 8.620 1.00 0.00 H new ATOM 942 N LYS A 62 71.106 -6.854 4.625 1.00 0.00 N ATOM 943 CA LYS A 62 70.215 -7.820 4.017 1.00 0.00 C ATOM 944 C LYS A 62 68.848 -7.168 3.816 1.00 0.00 C ATOM 945 O LYS A 62 68.607 -6.068 4.312 1.00 0.00 O ATOM 946 CB LYS A 62 70.114 -9.071 4.898 1.00 0.00 C ATOM 947 CG LYS A 62 69.522 -10.277 4.189 1.00 0.00 C ATOM 948 CD LYS A 62 69.554 -11.518 5.064 1.00 0.00 C ATOM 949 CE LYS A 62 69.035 -12.736 4.316 1.00 0.00 C ATOM 950 NZ LYS A 62 69.902 -13.092 3.160 1.00 0.00 N ATOM 0 H LYS A 62 70.831 -6.565 5.564 1.00 0.00 H new ATOM 0 HA LYS A 62 70.603 -8.132 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 62 71.109 -9.328 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 62 69.504 -8.840 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 62 68.493 -10.061 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 62 70.076 -10.466 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 62 70.574 -11.702 5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 62 68.950 -11.352 5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 62 68.976 -13.583 4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 62 68.022 -12.540 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 69.625 -14.025 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 69.793 -12.379 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 70.895 -13.122 3.467 1.00 0.00 H new ATOM 964 N GLU A 63 67.960 -7.842 3.097 1.00 0.00 N ATOM 965 CA GLU A 63 66.648 -7.286 2.763 1.00 0.00 C ATOM 966 C GLU A 63 65.782 -7.041 4.000 1.00 0.00 C ATOM 967 O GLU A 63 64.807 -6.290 3.948 1.00 0.00 O ATOM 968 CB GLU A 63 65.926 -8.202 1.763 1.00 0.00 C ATOM 969 CG GLU A 63 66.165 -9.693 1.979 1.00 0.00 C ATOM 970 CD GLU A 63 65.503 -10.243 3.229 1.00 0.00 C ATOM 971 OE1 GLU A 63 64.279 -10.492 3.197 1.00 0.00 O ATOM 972 OE2 GLU A 63 66.204 -10.430 4.243 1.00 0.00 O ATOM 0 H GLU A 63 68.122 -8.780 2.730 1.00 0.00 H new ATOM 0 HA GLU A 63 66.815 -6.312 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 63 64.855 -8.007 1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 63 66.244 -7.939 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 63 65.795 -10.240 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 63 67.238 -9.875 2.037 1.00 0.00 H new ATOM 979 N HIS A 64 66.150 -7.662 5.105 1.00 0.00 N ATOM 980 CA HIS A 64 65.402 -7.537 6.348 1.00 0.00 C ATOM 981 C HIS A 64 65.765 -6.242 7.077 1.00 0.00 C ATOM 982 O HIS A 64 64.943 -5.665 7.793 1.00 0.00 O ATOM 983 CB HIS A 64 65.693 -8.756 7.229 1.00 0.00 C ATOM 984 CG HIS A 64 64.996 -8.759 8.553 1.00 0.00 C ATOM 985 ND1 HIS A 64 65.647 -8.509 9.737 1.00 0.00 N ATOM 986 CD2 HIS A 64 63.708 -9.015 8.880 1.00 0.00 C ATOM 987 CE1 HIS A 64 64.799 -8.620 10.738 1.00 0.00 C ATOM 988 NE2 HIS A 64 63.614 -8.923 10.246 1.00 0.00 N ATOM 0 H HIS A 64 66.970 -8.265 5.170 1.00 0.00 H new ATOM 0 HA HIS A 64 64.336 -7.497 6.124 1.00 0.00 H new ATOM 0 HB2 HIS A 64 65.409 -9.656 6.684 1.00 0.00 H new ATOM 0 HB3 HIS A 64 66.768 -8.813 7.401 1.00 0.00 H new ATOM 0 HD1 HIS A 64 66.635 -8.274 9.827 1.00 0.00 H new ATOM 0 HD2 HIS A 64 62.906 -9.248 8.195 1.00 0.00 H new ATOM 0 HE1 HIS A 64 65.034 -8.486 11.784 1.00 0.00 H new ATOM 997 N GLU A 65 66.989 -5.777 6.871 1.00 0.00 N ATOM 998 CA GLU A 65 67.502 -4.611 7.583 1.00 0.00 C ATOM 999 C GLU A 65 67.276 -3.324 6.789 1.00 0.00 C ATOM 1000 O GLU A 65 67.710 -2.247 7.203 1.00 0.00 O ATOM 1001 CB GLU A 65 69.000 -4.778 7.872 1.00 0.00 C ATOM 1002 CG GLU A 65 69.332 -5.767 8.985 1.00 0.00 C ATOM 1003 CD GLU A 65 68.824 -7.171 8.722 1.00 0.00 C ATOM 1004 OE1 GLU A 65 69.147 -7.741 7.659 1.00 0.00 O ATOM 1005 OE2 GLU A 65 68.082 -7.703 9.572 1.00 0.00 O ATOM 0 H GLU A 65 67.650 -6.191 6.213 1.00 0.00 H new ATOM 0 HA GLU A 65 66.955 -4.535 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 65 69.498 -5.101 6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 65 69.415 -3.805 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 65 70.413 -5.800 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 65 68.906 -5.405 9.920 1.00 0.00 H new ATOM 1012 N LEU A 66 66.584 -3.428 5.661 1.00 0.00 N ATOM 1013 CA LEU A 66 66.408 -2.282 4.779 1.00 0.00 C ATOM 1014 C LEU A 66 64.934 -1.955 4.564 1.00 0.00 C ATOM 1015 O LEU A 66 64.159 -2.797 4.104 1.00 0.00 O ATOM 1016 CB LEU A 66 67.080 -2.547 3.431 1.00 0.00 C ATOM 1017 CG LEU A 66 68.580 -2.838 3.496 1.00 0.00 C ATOM 1018 CD1 LEU A 66 69.119 -3.124 2.106 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.325 -1.673 4.132 1.00 0.00 C ATOM 0 H LEU A 66 66.139 -4.287 5.338 1.00 0.00 H new ATOM 0 HA LEU A 66 66.876 -1.423 5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 66 66.583 -3.392 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 66 66.922 -1.681 2.788 1.00 0.00 H new ATOM 0 HG LEU A 66 68.737 -3.720 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 66 70.188 -3.330 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.606 -3.990 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.951 -2.258 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.391 -1.899 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.166 -0.772 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.953 -1.512 5.144 1.00 0.00 H new ATOM 1031 N THR A 67 64.559 -0.729 4.898 1.00 0.00 N ATOM 1032 CA THR A 67 63.215 -0.233 4.646 1.00 0.00 C ATOM 1033 C THR A 67 63.281 0.956 3.682 1.00 0.00 C ATOM 1034 O THR A 67 63.744 2.032 4.048 1.00 0.00 O ATOM 1035 CB THR A 67 62.522 0.184 5.962 1.00 0.00 C ATOM 1036 OG1 THR A 67 62.472 -0.934 6.862 1.00 0.00 O ATOM 1037 CG2 THR A 67 61.110 0.690 5.703 1.00 0.00 C ATOM 0 H THR A 67 65.175 -0.053 5.349 1.00 0.00 H new ATOM 0 HA THR A 67 62.627 -1.033 4.197 1.00 0.00 H new ATOM 0 HB THR A 67 63.102 0.992 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 67 62.033 -0.664 7.695 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.647 0.976 6.647 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.149 1.555 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.521 -0.099 5.235 1.00 0.00 H new ATOM 1045 N PRO A 68 62.824 0.767 2.433 1.00 0.00 N ATOM 1046 CA PRO A 68 63.025 1.744 1.349 1.00 0.00 C ATOM 1047 C PRO A 68 62.286 3.070 1.538 1.00 0.00 C ATOM 1048 O PRO A 68 61.213 3.128 2.138 1.00 0.00 O ATOM 1049 CB PRO A 68 62.491 1.016 0.114 1.00 0.00 C ATOM 1050 CG PRO A 68 61.525 0.016 0.647 1.00 0.00 C ATOM 1051 CD PRO A 68 62.068 -0.414 1.979 1.00 0.00 C ATOM 0 HA PRO A 68 64.073 2.039 1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 68 62.004 1.708 -0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 68 63.296 0.532 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 68 60.531 0.451 0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 68 61.430 -0.834 -0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 68 61.270 -0.673 2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.708 -1.291 1.888 1.00 0.00 H new ATOM 1059 N LEU A 69 62.885 4.130 1.000 1.00 0.00 N ATOM 1060 CA LEU A 69 62.282 5.458 1.006 1.00 0.00 C ATOM 1061 C LEU A 69 61.304 5.605 -0.153 1.00 0.00 C ATOM 1062 O LEU A 69 61.714 5.666 -1.315 1.00 0.00 O ATOM 1063 CB LEU A 69 63.368 6.534 0.886 1.00 0.00 C ATOM 1064 CG LEU A 69 64.164 6.824 2.159 1.00 0.00 C ATOM 1065 CD1 LEU A 69 65.464 7.541 1.821 1.00 0.00 C ATOM 1066 CD2 LEU A 69 63.333 7.670 3.112 1.00 0.00 C ATOM 0 H LEU A 69 63.799 4.092 0.549 1.00 0.00 H new ATOM 0 HA LEU A 69 61.747 5.583 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 69 64.066 6.233 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.899 7.461 0.555 1.00 0.00 H new ATOM 0 HG LEU A 69 64.405 5.877 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.019 7.740 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 69 66.065 6.914 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.240 8.483 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 69 63.908 7.871 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.073 8.612 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.421 7.133 3.374 1.00 0.00 H new ATOM 1078 N LYS A 70 60.017 5.648 0.158 1.00 0.00 N ATOM 1079 CA LYS A 70 59.002 5.842 -0.866 1.00 0.00 C ATOM 1080 C LYS A 70 58.615 7.316 -0.961 1.00 0.00 C ATOM 1081 O LYS A 70 57.921 7.847 -0.091 1.00 0.00 O ATOM 1082 CB LYS A 70 57.764 4.983 -0.579 1.00 0.00 C ATOM 1083 CG LYS A 70 56.687 5.110 -1.643 1.00 0.00 C ATOM 1084 CD LYS A 70 55.478 4.240 -1.339 1.00 0.00 C ATOM 1085 CE LYS A 70 54.362 4.479 -2.342 1.00 0.00 C ATOM 1086 NZ LYS A 70 53.787 5.843 -2.216 1.00 0.00 N ATOM 0 H LYS A 70 59.652 5.552 1.106 1.00 0.00 H new ATOM 0 HA LYS A 70 59.421 5.528 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 70 58.065 3.938 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 70 57.347 5.269 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 70 56.374 6.151 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 70 57.100 4.830 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 70 55.769 3.190 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 70 55.118 4.453 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 70 54.746 4.339 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 70 53.576 3.739 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 52.881 5.886 -2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 53.631 6.063 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 54.446 6.537 -2.624 1.00 0.00 H new ATOM 1100 N GLY A 71 59.073 7.969 -2.019 1.00 0.00 N ATOM 1101 CA GLY A 71 58.787 9.376 -2.209 1.00 0.00 C ATOM 1102 C GLY A 71 57.566 9.596 -3.078 1.00 0.00 C ATOM 1103 O GLY A 71 57.011 10.694 -3.118 1.00 0.00 O ATOM 0 H GLY A 71 59.641 7.546 -2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 71 58.631 9.848 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 71 59.649 9.862 -2.666 1.00 0.00 H new ATOM 1107 N GLY A 72 57.149 8.549 -3.778 1.00 0.00 N ATOM 1108 CA GLY A 72 55.980 8.639 -4.627 1.00 0.00 C ATOM 1109 C GLY A 72 56.153 7.862 -5.914 1.00 0.00 C ATOM 1110 O GLY A 72 57.210 7.276 -6.151 1.00 0.00 O ATOM 0 H GLY A 72 57.603 7.636 -3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 72 55.111 8.260 -4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 72 55.780 9.685 -4.859 1.00 0.00 H new ATOM 1114 N LEU A 73 55.119 7.844 -6.740 1.00 0.00 N ATOM 1115 CA LEU A 73 55.181 7.160 -8.025 1.00 0.00 C ATOM 1116 C LEU A 73 55.763 8.085 -9.087 1.00 0.00 C ATOM 1117 O LEU A 73 56.764 7.765 -9.732 1.00 0.00 O ATOM 1118 CB LEU A 73 53.787 6.684 -8.445 1.00 0.00 C ATOM 1119 CG LEU A 73 53.735 5.917 -9.767 1.00 0.00 C ATOM 1120 CD1 LEU A 73 54.521 4.619 -9.660 1.00 0.00 C ATOM 1121 CD2 LEU A 73 52.295 5.639 -10.164 1.00 0.00 C ATOM 0 H LEU A 73 54.225 8.295 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 73 55.830 6.290 -7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 73 53.385 6.047 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 73 53.131 7.551 -8.520 1.00 0.00 H new ATOM 0 HG LEU A 73 54.192 6.532 -10.542 1.00 0.00 H new ATOM 0 HD11 LEU A 73 54.474 4.086 -10.609 1.00 0.00 H new ATOM 0 HD12 LEU A 73 55.561 4.842 -9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 73 54.093 3.998 -8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 73 52.277 5.093 -11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 73 51.813 5.043 -9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 73 51.761 6.582 -10.281 1.00 0.00 H new ATOM 1133 N ALA A 74 55.136 9.242 -9.259 1.00 0.00 N ATOM 1134 CA ALA A 74 55.608 10.227 -10.216 1.00 0.00 C ATOM 1135 C ALA A 74 56.600 11.169 -9.551 1.00 0.00 C ATOM 1136 O ALA A 74 56.222 12.200 -8.998 1.00 0.00 O ATOM 1137 CB ALA A 74 54.442 11.000 -10.813 1.00 0.00 C ATOM 0 H ALA A 74 54.299 9.519 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 74 56.116 9.708 -11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 74 54.819 11.732 -11.527 1.00 0.00 H new ATOM 0 HB2 ALA A 74 53.770 10.309 -11.322 1.00 0.00 H new ATOM 0 HB3 ALA A 74 53.901 11.513 -10.018 1.00 0.00 H new ATOM 1143 N TYR A 75 57.864 10.781 -9.568 1.00 0.00 N ATOM 1144 CA TYR A 75 58.913 11.579 -8.947 1.00 0.00 C ATOM 1145 C TYR A 75 59.533 12.525 -9.971 1.00 0.00 C ATOM 1146 O TYR A 75 60.198 13.501 -9.617 1.00 0.00 O ATOM 1147 CB TYR A 75 59.979 10.659 -8.344 1.00 0.00 C ATOM 1148 CG TYR A 75 60.969 11.369 -7.446 1.00 0.00 C ATOM 1149 CD1 TYR A 75 60.578 11.871 -6.211 1.00 0.00 C ATOM 1150 CD2 TYR A 75 62.296 11.529 -7.827 1.00 0.00 C ATOM 1151 CE1 TYR A 75 61.477 12.513 -5.382 1.00 0.00 C ATOM 1152 CE2 TYR A 75 63.203 12.172 -7.005 1.00 0.00 C ATOM 1153 CZ TYR A 75 62.789 12.662 -5.783 1.00 0.00 C ATOM 1154 OH TYR A 75 63.690 13.298 -4.958 1.00 0.00 O ATOM 0 H TYR A 75 58.191 9.919 -10.004 1.00 0.00 H new ATOM 0 HA TYR A 75 58.479 12.179 -8.147 1.00 0.00 H new ATOM 0 HB2 TYR A 75 59.485 9.873 -7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 75 60.523 10.171 -9.153 1.00 0.00 H new ATOM 0 HD1 TYR A 75 59.552 11.757 -5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 75 62.624 11.145 -8.781 1.00 0.00 H new ATOM 0 HE1 TYR A 75 61.155 12.896 -4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 75 64.230 12.290 -7.318 1.00 0.00 H new ATOM 0 HH TYR A 75 64.570 13.318 -5.389 1.00 0.00 H new ATOM 1164 N VAL A 76 59.297 12.236 -11.243 1.00 0.00 N ATOM 1165 CA VAL A 76 59.817 13.061 -12.320 1.00 0.00 C ATOM 1166 C VAL A 76 58.790 14.113 -12.712 1.00 0.00 C ATOM 1167 O VAL A 76 57.917 13.868 -13.547 1.00 0.00 O ATOM 1168 CB VAL A 76 60.193 12.217 -13.558 1.00 0.00 C ATOM 1169 CG1 VAL A 76 60.820 13.088 -14.644 1.00 0.00 C ATOM 1170 CG2 VAL A 76 61.134 11.086 -13.168 1.00 0.00 C ATOM 0 H VAL A 76 58.748 11.435 -11.553 1.00 0.00 H new ATOM 0 HA VAL A 76 60.723 13.546 -11.955 1.00 0.00 H new ATOM 0 HB VAL A 76 59.279 11.782 -13.961 1.00 0.00 H new ATOM 0 HG11 VAL A 76 61.075 12.469 -15.504 1.00 0.00 H new ATOM 0 HG12 VAL A 76 60.110 13.857 -14.948 1.00 0.00 H new ATOM 0 HG13 VAL A 76 61.723 13.560 -14.256 1.00 0.00 H new ATOM 0 HG21 VAL A 76 61.388 10.502 -14.053 1.00 0.00 H new ATOM 0 HG22 VAL A 76 62.043 11.502 -12.735 1.00 0.00 H new ATOM 0 HG23 VAL A 76 60.646 10.442 -12.437 1.00 0.00 H new ATOM 1180 N LEU A 77 58.887 15.281 -12.093 1.00 0.00 N ATOM 1181 CA LEU A 77 57.947 16.363 -12.357 1.00 0.00 C ATOM 1182 C LEU A 77 58.349 17.125 -13.613 1.00 0.00 C ATOM 1183 O LEU A 77 57.678 18.071 -14.024 1.00 0.00 O ATOM 1184 CB LEU A 77 57.874 17.313 -11.158 1.00 0.00 C ATOM 1185 CG LEU A 77 57.411 16.670 -9.848 1.00 0.00 C ATOM 1186 CD1 LEU A 77 57.423 17.690 -8.720 1.00 0.00 C ATOM 1187 CD2 LEU A 77 56.023 16.064 -10.008 1.00 0.00 C ATOM 0 H LEU A 77 59.606 15.504 -11.405 1.00 0.00 H new ATOM 0 HA LEU A 77 56.960 15.929 -12.517 1.00 0.00 H new ATOM 0 HB2 LEU A 77 58.859 17.752 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 77 57.196 18.131 -11.403 1.00 0.00 H new ATOM 0 HG LEU A 77 58.106 15.869 -9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 77 57.091 17.215 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 77 58.434 18.074 -8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 77 56.752 18.513 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 77 55.712 15.612 -9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 77 55.315 16.845 -10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 77 56.047 15.301 -10.786 1.00 0.00 H new ATOM 1199 N GLU A 78 59.450 16.707 -14.218 1.00 0.00 N ATOM 1200 CA GLU A 78 59.901 17.296 -15.465 1.00 0.00 C ATOM 1201 C GLU A 78 58.939 16.931 -16.587 1.00 0.00 C ATOM 1202 O GLU A 78 58.546 17.776 -17.386 1.00 0.00 O ATOM 1203 CB GLU A 78 61.308 16.810 -15.808 1.00 0.00 C ATOM 1204 CG GLU A 78 61.993 17.651 -16.867 1.00 0.00 C ATOM 1205 CD GLU A 78 62.251 19.065 -16.390 1.00 0.00 C ATOM 1206 OE1 GLU A 78 61.315 19.890 -16.423 1.00 0.00 O ATOM 1207 OE2 GLU A 78 63.390 19.352 -15.968 1.00 0.00 O ATOM 0 H GLU A 78 60.047 15.960 -13.863 1.00 0.00 H new ATOM 0 HA GLU A 78 59.925 18.380 -15.350 1.00 0.00 H new ATOM 0 HB2 GLU A 78 61.916 16.812 -14.903 1.00 0.00 H new ATOM 0 HB3 GLU A 78 61.254 15.778 -16.153 1.00 0.00 H new ATOM 0 HG2 GLU A 78 62.938 17.184 -17.145 1.00 0.00 H new ATOM 0 HG3 GLU A 78 61.375 17.678 -17.764 1.00 0.00 H new ATOM 1214 N HIS A 79 58.548 15.665 -16.624 1.00 0.00 N ATOM 1215 CA HIS A 79 57.639 15.175 -17.650 1.00 0.00 C ATOM 1216 C HIS A 79 56.265 15.825 -17.487 1.00 0.00 C ATOM 1217 O HIS A 79 55.691 16.339 -18.444 1.00 0.00 O ATOM 1218 CB HIS A 79 57.526 13.646 -17.562 1.00 0.00 C ATOM 1219 CG HIS A 79 56.870 13.002 -18.750 1.00 0.00 C ATOM 1220 ND1 HIS A 79 55.983 13.483 -19.654 1.00 0.00 N flip ATOM 1221 CD2 HIS A 79 57.097 11.690 -19.107 1.00 0.00 C flip ATOM 1222 CE1 HIS A 79 55.696 12.466 -20.524 1.00 0.00 C flip ATOM 1223 NE2 HIS A 79 56.382 11.396 -20.175 1.00 0.00 N flip ATOM 0 H HIS A 79 58.847 14.957 -15.953 1.00 0.00 H new ATOM 0 HA HIS A 79 58.032 15.439 -18.632 1.00 0.00 H new ATOM 0 HB2 HIS A 79 58.525 13.227 -17.442 1.00 0.00 H new ATOM 0 HB3 HIS A 79 56.962 13.387 -16.666 1.00 0.00 H new ATOM 0 HD1 HIS A 79 55.600 14.428 -19.681 1.00 0.00 H new ATOM 0 HD2 HIS A 79 57.758 11.009 -18.592 1.00 0.00 H new ATOM 0 HE1 HIS A 79 55.017 12.530 -21.361 1.00 0.00 H new ATOM 1232 N HIS A 80 55.747 15.810 -16.267 1.00 0.00 N ATOM 1233 CA HIS A 80 54.438 16.388 -15.997 1.00 0.00 C ATOM 1234 C HIS A 80 54.555 17.683 -15.207 1.00 0.00 C ATOM 1235 O HIS A 80 54.436 17.688 -13.983 1.00 0.00 O ATOM 1236 CB HIS A 80 53.540 15.397 -15.250 1.00 0.00 C ATOM 1237 CG HIS A 80 52.823 14.437 -16.149 1.00 0.00 C ATOM 1238 ND1 HIS A 80 52.326 13.226 -15.722 1.00 0.00 N ATOM 1239 CD2 HIS A 80 52.497 14.532 -17.460 1.00 0.00 C ATOM 1240 CE1 HIS A 80 51.729 12.620 -16.730 1.00 0.00 C ATOM 1241 NE2 HIS A 80 51.817 13.391 -17.797 1.00 0.00 N ATOM 0 H HIS A 80 56.210 15.406 -15.453 1.00 0.00 H new ATOM 0 HA HIS A 80 53.981 16.614 -16.960 1.00 0.00 H new ATOM 0 HB2 HIS A 80 54.147 14.833 -14.542 1.00 0.00 H new ATOM 0 HB3 HIS A 80 52.805 15.954 -14.668 1.00 0.00 H new ATOM 0 HD2 HIS A 80 52.730 15.356 -18.119 1.00 0.00 H new ATOM 0 HE1 HIS A 80 51.248 11.654 -16.689 1.00 0.00 H new ATOM 0 HE2 HIS A 80 51.441 13.174 -18.720 1.00 0.00 H new ATOM 1250 N HIS A 81 54.810 18.780 -15.909 1.00 0.00 N ATOM 1251 CA HIS A 81 54.821 20.096 -15.278 1.00 0.00 C ATOM 1252 C HIS A 81 53.816 21.015 -15.968 1.00 0.00 C ATOM 1253 O HIS A 81 52.984 21.630 -15.311 1.00 0.00 O ATOM 1254 CB HIS A 81 56.239 20.720 -15.261 1.00 0.00 C ATOM 1255 CG HIS A 81 56.819 21.086 -16.604 1.00 0.00 C ATOM 1256 ND1 HIS A 81 57.466 20.184 -17.420 1.00 0.00 N ATOM 1257 CD2 HIS A 81 56.864 22.273 -17.259 1.00 0.00 C ATOM 1258 CE1 HIS A 81 57.882 20.796 -18.512 1.00 0.00 C ATOM 1259 NE2 HIS A 81 57.533 22.065 -18.441 1.00 0.00 N ATOM 0 H HIS A 81 55.011 18.787 -16.909 1.00 0.00 H new ATOM 0 HA HIS A 81 54.524 19.973 -14.237 1.00 0.00 H new ATOM 0 HB2 HIS A 81 56.211 21.618 -14.643 1.00 0.00 H new ATOM 0 HB3 HIS A 81 56.917 20.019 -14.774 1.00 0.00 H new ATOM 0 HD1 HIS A 81 57.602 19.195 -17.212 1.00 0.00 H new ATOM 0 HD2 HIS A 81 56.450 23.209 -16.915 1.00 0.00 H new ATOM 0 HE1 HIS A 81 58.419 20.334 -19.328 1.00 0.00 H new ATOM 1268 N HIS A 82 53.892 21.053 -17.298 1.00 0.00 N ATOM 1269 CA HIS A 82 53.017 21.859 -18.155 1.00 0.00 C ATOM 1270 C HIS A 82 53.436 21.623 -19.598 1.00 0.00 C ATOM 1271 O HIS A 82 54.313 20.797 -19.852 1.00 0.00 O ATOM 1272 CB HIS A 82 53.110 23.365 -17.851 1.00 0.00 C ATOM 1273 CG HIS A 82 52.122 23.875 -16.842 1.00 0.00 C ATOM 1274 ND1 HIS A 82 50.829 23.407 -16.739 1.00 0.00 N ATOM 1275 CD2 HIS A 82 52.250 24.825 -15.886 1.00 0.00 C ATOM 1276 CE1 HIS A 82 50.208 24.049 -15.766 1.00 0.00 C ATOM 1277 NE2 HIS A 82 51.049 24.912 -15.234 1.00 0.00 N ATOM 0 H HIS A 82 54.579 20.512 -17.824 1.00 0.00 H new ATOM 0 HA HIS A 82 51.986 21.557 -17.971 1.00 0.00 H new ATOM 0 HB2 HIS A 82 54.116 23.586 -17.495 1.00 0.00 H new ATOM 0 HB3 HIS A 82 52.973 23.916 -18.781 1.00 0.00 H new ATOM 0 HD2 HIS A 82 53.136 25.407 -15.676 1.00 0.00 H new ATOM 0 HE1 HIS A 82 49.184 23.893 -15.459 1.00 0.00 H new ATOM 0 HE2 HIS A 82 50.839 25.543 -14.461 1.00 0.00 H new ATOM 1286 N HIS A 83 52.833 22.346 -20.532 1.00 0.00 N ATOM 1287 CA HIS A 83 53.217 22.237 -21.932 1.00 0.00 C ATOM 1288 C HIS A 83 52.892 23.529 -22.668 1.00 0.00 C ATOM 1289 O HIS A 83 51.728 23.914 -22.772 1.00 0.00 O ATOM 1290 CB HIS A 83 52.496 21.062 -22.596 1.00 0.00 C ATOM 1291 CG HIS A 83 53.209 20.519 -23.796 1.00 0.00 C ATOM 1292 ND1 HIS A 83 52.925 20.903 -25.089 1.00 0.00 N ATOM 1293 CD2 HIS A 83 54.198 19.600 -23.886 1.00 0.00 C ATOM 1294 CE1 HIS A 83 53.709 20.240 -25.920 1.00 0.00 C ATOM 1295 NE2 HIS A 83 54.489 19.446 -25.215 1.00 0.00 N ATOM 0 H HIS A 83 52.081 23.010 -20.347 1.00 0.00 H new ATOM 0 HA HIS A 83 54.291 22.060 -21.982 1.00 0.00 H new ATOM 0 HB2 HIS A 83 52.373 20.263 -21.865 1.00 0.00 H new ATOM 0 HB3 HIS A 83 51.496 21.381 -22.892 1.00 0.00 H new ATOM 0 HD2 HIS A 83 54.670 19.084 -23.063 1.00 0.00 H new ATOM 0 HE1 HIS A 83 53.710 20.333 -26.996 1.00 0.00 H new ATOM 0 HE2 HIS A 83 55.196 18.818 -25.598 1.00 0.00 H new ATOM 1304 N HIS A 84 53.919 24.196 -23.169 1.00 0.00 N ATOM 1305 CA HIS A 84 53.724 25.428 -23.919 1.00 0.00 C ATOM 1306 C HIS A 84 53.638 25.118 -25.407 1.00 0.00 C ATOM 1307 O HIS A 84 54.650 24.676 -25.986 1.00 0.00 O ATOM 1308 CB HIS A 84 54.823 26.472 -23.615 1.00 0.00 C ATOM 1309 CG HIS A 84 56.238 26.036 -23.889 1.00 0.00 C ATOM 1310 ND1 HIS A 84 57.066 25.508 -22.919 1.00 0.00 N ATOM 1311 CD2 HIS A 84 56.979 26.073 -25.025 1.00 0.00 C ATOM 1312 CE1 HIS A 84 58.247 25.239 -23.445 1.00 0.00 C ATOM 1313 NE2 HIS A 84 58.221 25.572 -24.721 1.00 0.00 N ATOM 1314 OXT HIS A 84 52.546 25.284 -25.983 1.00 0.00 O ATOM 0 H HIS A 84 54.892 23.907 -23.071 1.00 0.00 H new ATOM 0 HA HIS A 84 52.782 25.876 -23.602 1.00 0.00 H new ATOM 0 HB2 HIS A 84 54.619 27.367 -24.202 1.00 0.00 H new ATOM 0 HB3 HIS A 84 54.747 26.755 -22.565 1.00 0.00 H new ATOM 0 HD2 HIS A 84 56.652 26.431 -25.990 1.00 0.00 H new ATOM 0 HE1 HIS A 84 59.091 24.818 -22.919 1.00 0.00 H new ATOM 0 HE2 HIS A 84 58.997 25.473 -25.375 1.00 0.00 H new TER 1323 HIS A 84