USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 973 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 95 THR OG1 : rot 116:sc= 1.02 USER MOD Set 1.2: A 128 ASN : amide:sc= 0.767 K(o=1.8,f=-0.2) USER MOD Set 2.1: A 17 GLN : amide:sc= 1.93 K(o=4,f=2.7) USER MOD Set 2.2: A 78 TYR OH : rot 159:sc= 0.819 USER MOD Set 2.3: A 94 TYR OH : rot 86:sc= 1.26 USER MOD Set 3.1: A 48 HIS : +bothHN:sc= -1.5 K(o=-0.48,f=-12!) USER MOD Set 3.2: A 49 SER OG : rot 180:sc= -0.0257 USER MOD Set 3.3: A 122 ASN : amide:sc= 1.04 K(o=-0.48,f=-3.4) USER MOD Set 4.1: A 11 HIS : no HE2:sc= 1.14 K(o=3.6,f=-8.5!) USER MOD Set 4.2: A 54 ASN : amide:sc= 0.596 K(o=3.6,f=3) USER MOD Set 4.3: A 93 HIS :FLIP no HE2:sc= -0.139 F(o=2.6,f=3.6) USER MOD Set 4.4: A 123 TYR OH : rot -179:sc= 1.99 USER MOD Set 5.1: A 3 SER OG : rot 41:sc= 1.02 USER MOD Set 5.2: A 5 GLN : amide:sc= 0 X(o=1,f=0.68) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -131:sc= -0.782 (180deg=-1.37!) USER MOD Single : A 2 ASN :FLIP amide:sc= 0.822 F(o=0,f=0.82) USER MOD Single : A 7 TYR OH : rot -39:sc= -0.185 USER MOD Single : A 12 ASN : amide:sc= -0.0338 K(o=-0.034,f=-1.4) USER MOD Single : A 23 MET CE :methyl 173:sc= -0.0999 (180deg=-0.194) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 31 SER OG : rot -51:sc= 1.15 USER MOD Single : A 34 GLN : amide:sc= 0.159 K(o=0.16,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= 0.357 X(o=0.36,f=-0.054) USER MOD Single : A 36 TYR OH : rot 151:sc= 0.467 USER MOD Single : A 38 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.78) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0034 F(o=-0.61,f=-0.0034) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 1.32 (180deg=0.407) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 69 GLN : amide:sc= 0.444 K(o=0.44,f=-4.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 33:sc= 0.943 USER MOD Single : A 79 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.405 USER MOD Single : A 83 ASN : amide:sc= 0.891 K(o=0.89,f=-1.9!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.499 K(o=-0.5,f=-2.3!) USER MOD Single : A 101 ASN : amide:sc= 0.841 K(o=0.84,f=-0.18) USER MOD Single : A 102 SER OG : rot -85:sc= 0.353 USER MOD Single : A 113 ASN : amide:sc=-0.00504 K(o=-0.005,f=-0.79) USER MOD Single : A 114 ASN : amide:sc= 0.63 K(o=0.63,f=-0.69) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 135 TYR OH : rot 135:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -7.444 8.989 5.988 1.00 2.19 N ATOM 2 CA GLN A 1 -6.741 9.239 4.720 1.00 1.51 C ATOM 3 C GLN A 1 -5.327 8.644 4.750 1.00 1.39 C ATOM 4 O GLN A 1 -4.803 8.203 3.726 1.00 1.48 O ATOM 5 CB GLN A 1 -6.615 10.734 4.424 1.00 1.25 C ATOM 6 CG GLN A 1 -7.946 11.487 4.314 1.00 2.23 C ATOM 7 CD GLN A 1 -7.730 12.993 4.177 1.00 2.82 C ATOM 8 OE1 GLN A 1 -7.294 13.489 3.141 1.00 3.12 O ATOM 9 NE2 GLN A 1 -8.025 13.752 5.221 1.00 4.11 N ATOM 0 H1 GLN A 1 -8.389 8.602 5.791 1.00 2.19 H new ATOM 0 H2 GLN A 1 -6.903 8.307 6.557 1.00 2.19 H new ATOM 0 H3 GLN A 1 -7.538 9.881 6.514 1.00 2.19 H new ATOM 0 HA GLN A 1 -7.337 8.763 3.941 1.00 1.51 H new ATOM 0 HB2 GLN A 1 -6.018 11.196 5.210 1.00 1.25 H new ATOM 0 HB3 GLN A 1 -6.066 10.859 3.491 1.00 1.25 H new ATOM 0 HG2 GLN A 1 -8.503 11.119 3.452 1.00 2.23 H new ATOM 0 HG3 GLN A 1 -8.553 11.285 5.196 1.00 2.23 H new ATOM 0 HE21 GLN A 1 -8.386 13.327 6.075 1.00 4.11 H new ATOM 0 HE22 GLN A 1 -7.891 14.762 5.171 1.00 4.11 H new ATOM 20 N ASN A 2 -4.670 8.749 5.906 1.00 1.49 N ATOM 21 CA ASN A 2 -3.224 8.674 6.052 1.00 1.77 C ATOM 22 C ASN A 2 -2.753 7.414 6.784 1.00 1.55 C ATOM 23 O ASN A 2 -1.575 7.067 6.726 1.00 2.41 O ATOM 24 CB ASN A 2 -2.830 9.934 6.823 1.00 2.60 C ATOM 25 CG ASN A 2 -1.391 10.407 6.640 1.00 2.07 C ATOM 26 OD1 ASN A 2 -1.204 11.717 6.531 1.00 2.66 O flip ATOM 27 ND2 ASN A 2 -0.451 9.626 6.567 1.00 2.37 N flip ATOM 0 H ASN A 2 -5.151 8.893 6.794 1.00 1.49 H new ATOM 0 HA ASN A 2 -2.749 8.615 5.073 1.00 1.77 H new ATOM 0 HB2 ASN A 2 -3.498 10.742 6.525 1.00 2.60 H new ATOM 0 HB3 ASN A 2 -3.000 9.755 7.885 1.00 2.60 H new ATOM 0 HD21 ASN A 2 -0.614 8.623 6.653 1.00 2.37 H new ATOM 0 HD22 ASN A 2 0.495 9.979 6.420 1.00 2.37 H new ATOM 34 N SER A 3 -3.643 6.756 7.524 1.00 1.38 N ATOM 35 CA SER A 3 -3.289 5.706 8.472 1.00 1.13 C ATOM 36 C SER A 3 -3.200 4.336 7.781 1.00 1.10 C ATOM 37 O SER A 3 -3.733 4.169 6.690 1.00 1.26 O ATOM 38 CB SER A 3 -4.309 5.741 9.623 1.00 0.99 C ATOM 39 OG SER A 3 -5.578 6.253 9.226 1.00 1.89 O ATOM 0 H SER A 3 -4.645 6.941 7.480 1.00 1.38 H new ATOM 0 HA SER A 3 -2.295 5.880 8.884 1.00 1.13 H new ATOM 0 HB2 SER A 3 -4.437 4.733 10.018 1.00 0.99 H new ATOM 0 HB3 SER A 3 -3.913 6.353 10.433 1.00 0.99 H new ATOM 0 HG SER A 3 -5.810 5.903 8.341 1.00 1.89 H new ATOM 45 N PRO A 4 -2.569 3.321 8.387 1.00 1.19 N ATOM 46 CA PRO A 4 -2.509 1.987 7.801 1.00 1.27 C ATOM 47 C PRO A 4 -3.914 1.408 7.583 1.00 0.85 C ATOM 48 O PRO A 4 -4.191 0.792 6.555 1.00 0.63 O ATOM 49 CB PRO A 4 -1.655 1.158 8.759 1.00 1.75 C ATOM 50 CG PRO A 4 -1.695 1.913 10.083 1.00 1.79 C ATOM 51 CD PRO A 4 -1.882 3.367 9.666 1.00 1.53 C ATOM 0 HA PRO A 4 -2.063 1.993 6.806 1.00 1.27 H new ATOM 0 HB2 PRO A 4 -2.052 0.149 8.869 1.00 1.75 H new ATOM 0 HB3 PRO A 4 -0.633 1.060 8.392 1.00 1.75 H new ATOM 0 HG2 PRO A 4 -2.514 1.569 10.715 1.00 1.79 H new ATOM 0 HG3 PRO A 4 -0.775 1.775 10.651 1.00 1.79 H new ATOM 0 HD2 PRO A 4 -2.466 3.915 10.405 1.00 1.53 H new ATOM 0 HD3 PRO A 4 -0.922 3.876 9.577 1.00 1.53 H new ATOM 59 N GLN A 5 -4.834 1.657 8.517 1.00 0.84 N ATOM 60 CA GLN A 5 -6.235 1.297 8.350 1.00 0.73 C ATOM 61 C GLN A 5 -6.843 1.898 7.077 1.00 0.47 C ATOM 62 O GLN A 5 -7.810 1.348 6.573 1.00 0.59 O ATOM 63 CB GLN A 5 -7.023 1.698 9.601 1.00 0.88 C ATOM 64 CG GLN A 5 -7.232 3.213 9.707 1.00 2.17 C ATOM 65 CD GLN A 5 -7.602 3.626 11.124 1.00 3.03 C ATOM 66 OE1 GLN A 5 -6.944 4.471 11.726 1.00 4.32 O ATOM 67 NE2 GLN A 5 -8.632 3.010 11.681 1.00 3.19 N ATOM 0 H GLN A 5 -4.626 2.112 9.406 1.00 0.84 H new ATOM 0 HA GLN A 5 -6.297 0.216 8.229 1.00 0.73 H new ATOM 0 HB2 GLN A 5 -7.993 1.201 9.589 1.00 0.88 H new ATOM 0 HB3 GLN A 5 -6.495 1.345 10.487 1.00 0.88 H new ATOM 0 HG2 GLN A 5 -6.322 3.729 9.402 1.00 2.17 H new ATOM 0 HG3 GLN A 5 -8.019 3.522 9.019 1.00 2.17 H new ATOM 0 HE21 GLN A 5 -9.157 2.313 11.152 1.00 3.19 H new ATOM 0 HE22 GLN A 5 -8.902 3.232 12.639 1.00 3.19 H new ATOM 76 N ASP A 6 -6.321 3.011 6.542 1.00 0.41 N ATOM 77 CA ASP A 6 -6.785 3.520 5.253 1.00 0.49 C ATOM 78 C ASP A 6 -6.381 2.554 4.158 1.00 0.48 C ATOM 79 O ASP A 6 -7.183 2.237 3.282 1.00 0.65 O ATOM 80 CB ASP A 6 -6.204 4.891 4.895 1.00 0.79 C ATOM 81 CG ASP A 6 -6.862 6.001 5.652 1.00 0.99 C ATOM 82 OD1 ASP A 6 -7.863 6.536 5.139 1.00 2.14 O ATOM 83 OD2 ASP A 6 -6.372 6.427 6.719 1.00 1.74 O ATOM 0 H ASP A 6 -5.586 3.567 6.979 1.00 0.41 H new ATOM 0 HA ASP A 6 -7.867 3.622 5.337 1.00 0.49 H new ATOM 0 HB2 ASP A 6 -5.134 4.896 5.104 1.00 0.79 H new ATOM 0 HB3 ASP A 6 -6.321 5.065 3.825 1.00 0.79 H new ATOM 88 N TYR A 7 -5.121 2.118 4.182 1.00 0.38 N ATOM 89 CA TYR A 7 -4.623 1.171 3.211 1.00 0.47 C ATOM 90 C TYR A 7 -5.533 -0.047 3.216 1.00 0.51 C ATOM 91 O TYR A 7 -6.089 -0.421 2.183 1.00 0.58 O ATOM 92 CB TYR A 7 -3.169 0.808 3.546 1.00 0.55 C ATOM 93 CG TYR A 7 -2.212 1.393 2.550 1.00 0.76 C ATOM 94 CD1 TYR A 7 -2.140 0.773 1.300 1.00 2.57 C ATOM 95 CD2 TYR A 7 -1.642 2.667 2.737 1.00 1.21 C ATOM 96 CE1 TYR A 7 -1.592 1.457 0.217 1.00 3.41 C ATOM 97 CE2 TYR A 7 -1.090 3.346 1.636 1.00 1.44 C ATOM 98 CZ TYR A 7 -1.158 2.773 0.360 1.00 2.54 C ATOM 99 OH TYR A 7 -0.946 3.513 -0.758 1.00 3.74 O ATOM 0 H TYR A 7 -4.431 2.414 4.872 1.00 0.38 H new ATOM 0 HA TYR A 7 -4.627 1.600 2.209 1.00 0.47 H new ATOM 0 HB2 TYR A 7 -2.923 1.170 4.544 1.00 0.55 H new ATOM 0 HB3 TYR A 7 -3.059 -0.276 3.564 1.00 0.55 H new ATOM 0 HD1 TYR A 7 -2.508 -0.234 1.174 1.00 2.57 H new ATOM 0 HD2 TYR A 7 -1.629 3.119 3.718 1.00 1.21 H new ATOM 0 HE1 TYR A 7 -1.503 0.964 -0.740 1.00 3.41 H new ATOM 0 HE2 TYR A 7 -0.615 4.306 1.774 1.00 1.44 H new ATOM 0 HH TYR A 7 -0.541 2.950 -1.451 1.00 3.74 H new ATOM 109 N LEU A 8 -5.701 -0.620 4.403 1.00 0.44 N ATOM 110 CA LEU A 8 -6.616 -1.718 4.632 1.00 0.40 C ATOM 111 C LEU A 8 -8.013 -1.395 4.108 1.00 0.38 C ATOM 112 O LEU A 8 -8.562 -2.177 3.346 1.00 0.41 O ATOM 113 CB LEU A 8 -6.612 -2.076 6.124 1.00 0.41 C ATOM 114 CG LEU A 8 -5.568 -3.153 6.456 1.00 0.48 C ATOM 115 CD1 LEU A 8 -5.555 -3.385 7.968 1.00 0.54 C ATOM 116 CD2 LEU A 8 -5.824 -4.496 5.760 1.00 0.60 C ATOM 0 H LEU A 8 -5.196 -0.327 5.240 1.00 0.44 H new ATOM 0 HA LEU A 8 -6.283 -2.593 4.073 1.00 0.40 H new ATOM 0 HB2 LEU A 8 -6.408 -1.180 6.711 1.00 0.41 H new ATOM 0 HB3 LEU A 8 -7.602 -2.429 6.415 1.00 0.41 H new ATOM 0 HG LEU A 8 -4.611 -2.780 6.092 1.00 0.48 H new ATOM 0 HD11 LEU A 8 -4.816 -4.148 8.213 1.00 0.54 H new ATOM 0 HD12 LEU A 8 -5.298 -2.456 8.477 1.00 0.54 H new ATOM 0 HD13 LEU A 8 -6.541 -3.717 8.294 1.00 0.54 H new ATOM 0 HD21 LEU A 8 -5.047 -5.206 6.042 1.00 0.60 H new ATOM 0 HD22 LEU A 8 -6.797 -4.883 6.063 1.00 0.60 H new ATOM 0 HD23 LEU A 8 -5.811 -4.354 4.679 1.00 0.60 H new ATOM 128 N ALA A 9 -8.586 -0.250 4.470 1.00 0.40 N ATOM 129 CA ALA A 9 -9.944 0.112 4.095 1.00 0.41 C ATOM 130 C ALA A 9 -10.115 0.113 2.578 1.00 0.38 C ATOM 131 O ALA A 9 -11.025 -0.525 2.060 1.00 0.39 O ATOM 132 CB ALA A 9 -10.332 1.468 4.691 1.00 0.48 C ATOM 0 H ALA A 9 -8.115 0.456 5.036 1.00 0.40 H new ATOM 0 HA ALA A 9 -10.616 -0.642 4.505 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -11.352 1.717 4.396 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -10.270 1.419 5.778 1.00 0.48 H new ATOM 0 HB3 ALA A 9 -9.651 2.235 4.323 1.00 0.48 H new ATOM 138 N VAL A 10 -9.264 0.831 1.842 1.00 0.38 N ATOM 139 CA VAL A 10 -9.430 0.920 0.396 1.00 0.36 C ATOM 140 C VAL A 10 -9.197 -0.453 -0.249 1.00 0.33 C ATOM 141 O VAL A 10 -9.904 -0.824 -1.187 1.00 0.35 O ATOM 142 CB VAL A 10 -8.539 2.013 -0.216 1.00 0.35 C ATOM 143 CG1 VAL A 10 -8.859 2.171 -1.712 1.00 0.39 C ATOM 144 CG2 VAL A 10 -8.759 3.383 0.434 1.00 0.38 C ATOM 0 H VAL A 10 -8.469 1.349 2.217 1.00 0.38 H new ATOM 0 HA VAL A 10 -10.457 1.217 0.185 1.00 0.36 H new ATOM 0 HB VAL A 10 -7.509 1.697 -0.050 1.00 0.35 H new ATOM 0 HG11 VAL A 10 -8.224 2.947 -2.140 1.00 0.39 H new ATOM 0 HG12 VAL A 10 -8.674 1.227 -2.225 1.00 0.39 H new ATOM 0 HG13 VAL A 10 -9.906 2.451 -1.833 1.00 0.39 H new ATOM 0 HG21 VAL A 10 -8.105 4.118 -0.036 1.00 0.38 H new ATOM 0 HG22 VAL A 10 -9.798 3.685 0.303 1.00 0.38 H new ATOM 0 HG23 VAL A 10 -8.531 3.322 1.498 1.00 0.38 H new ATOM 154 N HIS A 11 -8.209 -1.214 0.232 1.00 0.32 N ATOM 155 CA HIS A 11 -8.022 -2.579 -0.246 1.00 0.30 C ATOM 156 C HIS A 11 -9.300 -3.383 -0.024 1.00 0.32 C ATOM 157 O HIS A 11 -9.795 -4.044 -0.933 1.00 0.35 O ATOM 158 CB HIS A 11 -6.830 -3.245 0.450 1.00 0.32 C ATOM 159 CG HIS A 11 -5.505 -2.809 -0.118 1.00 0.34 C ATOM 160 ND1 HIS A 11 -4.971 -1.543 -0.064 1.00 0.45 N ATOM 161 CD2 HIS A 11 -4.679 -3.576 -0.893 1.00 0.37 C ATOM 162 CE1 HIS A 11 -3.874 -1.540 -0.838 1.00 0.60 C ATOM 163 NE2 HIS A 11 -3.652 -2.754 -1.364 1.00 0.56 N ATOM 0 H HIS A 11 -7.539 -0.911 0.939 1.00 0.32 H new ATOM 0 HA HIS A 11 -7.806 -2.550 -1.314 1.00 0.30 H new ATOM 0 HB2 HIS A 11 -6.859 -3.011 1.514 1.00 0.32 H new ATOM 0 HB3 HIS A 11 -6.921 -4.327 0.360 1.00 0.32 H new ATOM 0 HD1 HIS A 11 -5.340 -0.753 0.466 1.00 0.45 H new ATOM 0 HD2 HIS A 11 -4.799 -4.629 -1.103 1.00 0.37 H new ATOM 0 HE1 HIS A 11 -3.252 -0.675 -1.014 1.00 0.60 H new ATOM 171 N ASN A 12 -9.835 -3.315 1.188 1.00 0.37 N ATOM 172 CA ASN A 12 -11.018 -4.048 1.591 1.00 0.43 C ATOM 173 C ASN A 12 -12.203 -3.625 0.727 1.00 0.44 C ATOM 174 O ASN A 12 -12.993 -4.482 0.347 1.00 0.48 O ATOM 175 CB ASN A 12 -11.319 -3.868 3.084 1.00 0.55 C ATOM 176 CG ASN A 12 -10.327 -4.563 4.021 1.00 0.76 C ATOM 177 OD1 ASN A 12 -9.639 -5.520 3.661 1.00 1.44 O ATOM 178 ND2 ASN A 12 -10.252 -4.090 5.261 1.00 0.92 N ATOM 0 H ASN A 12 -9.447 -2.735 1.931 1.00 0.37 H new ATOM 0 HA ASN A 12 -10.834 -5.111 1.438 1.00 0.43 H new ATOM 0 HB2 ASN A 12 -11.330 -2.802 3.313 1.00 0.55 H new ATOM 0 HB3 ASN A 12 -12.320 -4.249 3.288 1.00 0.55 H new ATOM 0 HD21 ASN A 12 -9.617 -4.520 5.933 1.00 0.92 H new ATOM 0 HD22 ASN A 12 -10.830 -3.297 5.540 1.00 0.92 H new ATOM 185 N ASP A 13 -12.315 -2.339 0.369 1.00 0.44 N ATOM 186 CA ASP A 13 -13.180 -1.867 -0.711 1.00 0.46 C ATOM 187 C ASP A 13 -13.059 -2.656 -2.001 1.00 0.40 C ATOM 188 O ASP A 13 -14.014 -3.285 -2.447 1.00 0.45 O ATOM 189 CB ASP A 13 -13.011 -0.368 -1.004 1.00 0.52 C ATOM 190 CG ASP A 13 -14.333 0.318 -1.222 1.00 0.65 C ATOM 191 OD1 ASP A 13 -15.111 -0.183 -2.060 1.00 1.88 O ATOM 192 OD2 ASP A 13 -14.544 1.405 -0.653 1.00 1.69 O ATOM 0 H ASP A 13 -11.799 -1.590 0.830 1.00 0.44 H new ATOM 0 HA ASP A 13 -14.184 -2.037 -0.323 1.00 0.46 H new ATOM 0 HB2 ASP A 13 -12.489 0.107 -0.173 1.00 0.52 H new ATOM 0 HB3 ASP A 13 -12.386 -0.240 -1.888 1.00 0.52 H new ATOM 197 N ALA A 14 -11.889 -2.587 -2.629 1.00 0.35 N ATOM 198 CA ALA A 14 -11.651 -3.274 -3.888 1.00 0.37 C ATOM 199 C ALA A 14 -12.058 -4.741 -3.751 1.00 0.42 C ATOM 200 O ALA A 14 -12.782 -5.285 -4.576 1.00 0.58 O ATOM 201 CB ALA A 14 -10.175 -3.128 -4.264 1.00 0.47 C ATOM 0 H ALA A 14 -11.089 -2.058 -2.282 1.00 0.35 H new ATOM 0 HA ALA A 14 -12.251 -2.834 -4.685 1.00 0.37 H new ATOM 0 HB1 ALA A 14 -9.987 -3.641 -5.208 1.00 0.47 H new ATOM 0 HB2 ALA A 14 -9.929 -2.071 -4.370 1.00 0.47 H new ATOM 0 HB3 ALA A 14 -9.555 -3.568 -3.483 1.00 0.47 H new ATOM 207 N ARG A 15 -11.616 -5.384 -2.680 1.00 0.40 N ATOM 208 CA ARG A 15 -11.901 -6.785 -2.441 1.00 0.49 C ATOM 209 C ARG A 15 -13.404 -7.009 -2.238 1.00 0.60 C ATOM 210 O ARG A 15 -13.966 -7.947 -2.798 1.00 0.73 O ATOM 211 CB ARG A 15 -10.984 -7.284 -1.316 1.00 0.43 C ATOM 212 CG ARG A 15 -9.540 -7.184 -1.832 1.00 0.42 C ATOM 213 CD ARG A 15 -8.464 -7.606 -0.832 1.00 0.67 C ATOM 214 NE ARG A 15 -8.020 -8.974 -1.108 1.00 1.14 N ATOM 215 CZ ARG A 15 -7.295 -9.750 -0.299 1.00 1.86 C ATOM 216 NH1 ARG A 15 -7.262 -9.509 1.005 1.00 2.59 N ATOM 217 NH2 ARG A 15 -6.592 -10.744 -0.815 1.00 2.86 N ATOM 0 H ARG A 15 -11.050 -4.946 -1.954 1.00 0.40 H new ATOM 0 HA ARG A 15 -11.670 -7.400 -3.311 1.00 0.49 H new ATOM 0 HB2 ARG A 15 -11.114 -6.681 -0.417 1.00 0.43 H new ATOM 0 HB3 ARG A 15 -11.227 -8.312 -1.049 1.00 0.43 H new ATOM 0 HG2 ARG A 15 -9.446 -7.801 -2.725 1.00 0.42 H new ATOM 0 HG3 ARG A 15 -9.349 -6.154 -2.135 1.00 0.42 H new ATOM 0 HD2 ARG A 15 -7.617 -6.923 -0.890 1.00 0.67 H new ATOM 0 HD3 ARG A 15 -8.856 -7.542 0.183 1.00 0.67 H new ATOM 0 HE ARG A 15 -8.291 -9.373 -2.007 1.00 1.14 H new ATOM 0 HH11 ARG A 15 -7.792 -8.728 1.393 1.00 2.59 H new ATOM 0 HH12 ARG A 15 -6.707 -10.104 1.620 1.00 2.59 H new ATOM 0 HH21 ARG A 15 -6.607 -10.911 -1.821 1.00 2.86 H new ATOM 0 HH22 ARG A 15 -6.034 -11.344 -0.207 1.00 2.86 H new ATOM 231 N ALA A 16 -14.086 -6.120 -1.524 1.00 0.57 N ATOM 232 CA ALA A 16 -15.530 -6.173 -1.348 1.00 0.68 C ATOM 233 C ALA A 16 -16.231 -6.135 -2.705 1.00 0.68 C ATOM 234 O ALA A 16 -17.114 -6.949 -2.969 1.00 0.77 O ATOM 235 CB ALA A 16 -15.999 -5.014 -0.460 1.00 0.72 C ATOM 0 H ALA A 16 -13.645 -5.334 -1.046 1.00 0.57 H new ATOM 0 HA ALA A 16 -15.791 -7.110 -0.855 1.00 0.68 H new ATOM 0 HB1 ALA A 16 -17.081 -5.065 -0.336 1.00 0.72 H new ATOM 0 HB2 ALA A 16 -15.518 -5.086 0.516 1.00 0.72 H new ATOM 0 HB3 ALA A 16 -15.732 -4.066 -0.927 1.00 0.72 H new ATOM 241 N GLN A 17 -15.829 -5.205 -3.572 1.00 0.64 N ATOM 242 CA GLN A 17 -16.426 -5.008 -4.888 1.00 0.70 C ATOM 243 C GLN A 17 -16.511 -6.316 -5.673 1.00 0.84 C ATOM 244 O GLN A 17 -17.548 -6.632 -6.256 1.00 1.27 O ATOM 245 CB GLN A 17 -15.645 -3.943 -5.667 1.00 0.62 C ATOM 246 CG GLN A 17 -15.833 -2.549 -5.063 1.00 1.07 C ATOM 247 CD GLN A 17 -14.759 -1.585 -5.550 1.00 1.57 C ATOM 248 OE1 GLN A 17 -14.314 -1.652 -6.695 1.00 2.58 O ATOM 249 NE2 GLN A 17 -14.339 -0.650 -4.702 1.00 1.94 N ATOM 0 H GLN A 17 -15.066 -4.558 -3.373 1.00 0.64 H new ATOM 0 HA GLN A 17 -17.448 -4.657 -4.746 1.00 0.70 H new ATOM 0 HB2 GLN A 17 -14.585 -4.198 -5.670 1.00 0.62 H new ATOM 0 HB3 GLN A 17 -15.975 -3.937 -6.706 1.00 0.62 H new ATOM 0 HG2 GLN A 17 -16.818 -2.165 -5.330 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -15.800 -2.614 -3.975 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -14.720 -0.611 -3.757 1.00 1.94 H new ATOM 0 HE22 GLN A 17 -13.636 0.028 -4.997 1.00 1.94 H new ATOM 258 N VAL A 18 -15.431 -7.093 -5.662 1.00 0.63 N ATOM 259 CA VAL A 18 -15.376 -8.342 -6.403 1.00 0.67 C ATOM 260 C VAL A 18 -15.780 -9.528 -5.525 1.00 0.78 C ATOM 261 O VAL A 18 -15.955 -10.630 -6.040 1.00 1.18 O ATOM 262 CB VAL A 18 -13.990 -8.520 -7.038 1.00 0.69 C ATOM 263 CG1 VAL A 18 -13.871 -7.613 -8.270 1.00 0.72 C ATOM 264 CG2 VAL A 18 -12.830 -8.165 -6.108 1.00 0.71 C ATOM 0 H VAL A 18 -14.580 -6.875 -5.144 1.00 0.63 H new ATOM 0 HA VAL A 18 -16.103 -8.304 -7.214 1.00 0.67 H new ATOM 0 HB VAL A 18 -13.915 -9.579 -7.285 1.00 0.69 H new ATOM 0 HG11 VAL A 18 -12.887 -7.739 -8.721 1.00 0.72 H new ATOM 0 HG12 VAL A 18 -14.640 -7.881 -8.995 1.00 0.72 H new ATOM 0 HG13 VAL A 18 -14.002 -6.573 -7.970 1.00 0.72 H new ATOM 0 HG21 VAL A 18 -11.885 -8.317 -6.630 1.00 0.71 H new ATOM 0 HG22 VAL A 18 -12.913 -7.121 -5.805 1.00 0.71 H new ATOM 0 HG23 VAL A 18 -12.863 -8.803 -5.225 1.00 0.71 H new ATOM 274 N GLY A 19 -15.945 -9.340 -4.219 1.00 0.65 N ATOM 275 CA GLY A 19 -16.152 -10.456 -3.320 1.00 0.63 C ATOM 276 C GLY A 19 -14.871 -11.273 -3.297 1.00 0.56 C ATOM 277 O GLY A 19 -14.793 -12.368 -3.854 1.00 1.03 O ATOM 0 H GLY A 19 -15.938 -8.426 -3.767 1.00 0.65 H new ATOM 0 HA2 GLY A 19 -16.397 -10.101 -2.319 1.00 0.63 H new ATOM 0 HA3 GLY A 19 -16.990 -11.067 -3.655 1.00 0.63 H new ATOM 281 N VAL A 20 -13.838 -10.700 -2.700 1.00 0.62 N ATOM 282 CA VAL A 20 -12.602 -11.354 -2.331 1.00 0.55 C ATOM 283 C VAL A 20 -12.429 -11.108 -0.830 1.00 0.57 C ATOM 284 O VAL A 20 -12.891 -10.088 -0.320 1.00 0.59 O ATOM 285 CB VAL A 20 -11.460 -10.764 -3.172 1.00 0.50 C ATOM 286 CG1 VAL A 20 -10.112 -11.327 -2.730 1.00 0.59 C ATOM 287 CG2 VAL A 20 -11.628 -11.083 -4.662 1.00 0.60 C ATOM 0 H VAL A 20 -13.844 -9.712 -2.448 1.00 0.62 H new ATOM 0 HA VAL A 20 -12.604 -12.427 -2.522 1.00 0.55 H new ATOM 0 HB VAL A 20 -11.494 -9.685 -3.021 1.00 0.50 H new ATOM 0 HG11 VAL A 20 -9.319 -10.894 -3.340 1.00 0.59 H new ATOM 0 HG12 VAL A 20 -9.940 -11.079 -1.683 1.00 0.59 H new ATOM 0 HG13 VAL A 20 -10.113 -12.410 -2.851 1.00 0.59 H new ATOM 0 HG21 VAL A 20 -10.800 -10.648 -5.223 1.00 0.60 H new ATOM 0 HG22 VAL A 20 -11.635 -12.164 -4.804 1.00 0.60 H new ATOM 0 HG23 VAL A 20 -12.568 -10.664 -5.020 1.00 0.60 H new ATOM 297 N GLY A 21 -11.791 -12.039 -0.120 1.00 0.65 N ATOM 298 CA GLY A 21 -11.601 -11.902 1.316 1.00 0.74 C ATOM 299 C GLY A 21 -10.759 -10.666 1.641 1.00 0.69 C ATOM 300 O GLY A 21 -9.938 -10.253 0.819 1.00 0.69 O ATOM 0 H GLY A 21 -11.400 -12.892 -0.519 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -12.570 -11.827 1.809 1.00 0.74 H new ATOM 0 HA3 GLY A 21 -11.112 -12.793 1.709 1.00 0.74 H new ATOM 304 N PRO A 22 -10.916 -10.087 2.837 1.00 0.79 N ATOM 305 CA PRO A 22 -10.142 -8.946 3.284 1.00 0.81 C ATOM 306 C PRO A 22 -8.723 -9.385 3.645 1.00 0.79 C ATOM 307 O PRO A 22 -8.329 -10.535 3.431 1.00 0.91 O ATOM 308 CB PRO A 22 -10.898 -8.418 4.509 1.00 0.96 C ATOM 309 CG PRO A 22 -11.504 -9.691 5.103 1.00 1.04 C ATOM 310 CD PRO A 22 -11.849 -10.507 3.862 1.00 0.93 C ATOM 0 HA PRO A 22 -10.038 -8.177 2.519 1.00 0.81 H new ATOM 0 HB2 PRO A 22 -10.231 -7.920 5.213 1.00 0.96 H new ATOM 0 HB3 PRO A 22 -11.665 -7.695 4.231 1.00 0.96 H new ATOM 0 HG2 PRO A 22 -10.797 -10.213 5.748 1.00 1.04 H new ATOM 0 HG3 PRO A 22 -12.387 -9.477 5.705 1.00 1.04 H new ATOM 0 HD2 PRO A 22 -11.757 -11.575 4.059 1.00 0.93 H new ATOM 0 HD3 PRO A 22 -12.878 -10.328 3.550 1.00 0.93 H new ATOM 318 N MET A 23 -7.926 -8.446 4.143 1.00 0.76 N ATOM 319 CA MET A 23 -6.553 -8.658 4.584 1.00 0.74 C ATOM 320 C MET A 23 -6.410 -8.086 5.994 1.00 0.64 C ATOM 321 O MET A 23 -7.346 -7.463 6.494 1.00 0.68 O ATOM 322 CB MET A 23 -5.570 -8.040 3.574 1.00 0.80 C ATOM 323 CG MET A 23 -6.152 -6.869 2.765 1.00 0.84 C ATOM 324 SD MET A 23 -5.000 -6.047 1.645 1.00 1.21 S ATOM 325 CE MET A 23 -4.347 -7.411 0.657 1.00 1.00 C ATOM 0 H MET A 23 -8.231 -7.479 4.255 1.00 0.76 H new ATOM 0 HA MET A 23 -6.311 -9.720 4.626 1.00 0.74 H new ATOM 0 HB2 MET A 23 -4.686 -7.693 4.109 1.00 0.80 H new ATOM 0 HB3 MET A 23 -5.240 -8.816 2.883 1.00 0.80 H new ATOM 0 HG2 MET A 23 -6.997 -7.237 2.183 1.00 0.84 H new ATOM 0 HG3 MET A 23 -6.544 -6.128 3.462 1.00 0.84 H new ATOM 0 HE1 MET A 23 -3.725 -7.014 -0.145 1.00 1.00 H new ATOM 0 HE2 MET A 23 -3.748 -8.065 1.291 1.00 1.00 H new ATOM 0 HE3 MET A 23 -5.173 -7.978 0.229 1.00 1.00 H new ATOM 335 N SER A 24 -5.264 -8.305 6.632 1.00 0.64 N ATOM 336 CA SER A 24 -4.927 -7.754 7.939 1.00 0.57 C ATOM 337 C SER A 24 -3.569 -7.073 7.874 1.00 0.51 C ATOM 338 O SER A 24 -2.934 -7.078 6.824 1.00 0.56 O ATOM 339 CB SER A 24 -5.061 -8.834 9.026 1.00 0.79 C ATOM 340 OG SER A 24 -3.816 -9.356 9.457 1.00 0.86 O ATOM 0 H SER A 24 -4.523 -8.888 6.242 1.00 0.64 H new ATOM 0 HA SER A 24 -5.635 -6.976 8.225 1.00 0.57 H new ATOM 0 HB2 SER A 24 -5.586 -8.413 9.883 1.00 0.79 H new ATOM 0 HB3 SER A 24 -5.676 -9.649 8.644 1.00 0.79 H new ATOM 0 HG SER A 24 -3.967 -10.035 10.147 1.00 0.86 H new ATOM 346 N TRP A 25 -3.152 -6.472 8.988 1.00 0.57 N ATOM 347 CA TRP A 25 -1.918 -5.696 9.041 1.00 0.54 C ATOM 348 C TRP A 25 -0.783 -6.534 9.625 1.00 0.67 C ATOM 349 O TRP A 25 -0.742 -6.804 10.833 1.00 1.33 O ATOM 350 CB TRP A 25 -2.103 -4.403 9.846 1.00 0.43 C ATOM 351 CG TRP A 25 -1.155 -3.319 9.446 1.00 0.37 C ATOM 352 CD1 TRP A 25 -0.150 -2.772 10.166 1.00 0.43 C ATOM 353 CD2 TRP A 25 -1.128 -2.657 8.158 1.00 0.38 C ATOM 354 NE1 TRP A 25 0.479 -1.804 9.406 1.00 0.44 N ATOM 355 CE2 TRP A 25 -0.078 -1.698 8.146 1.00 0.42 C ATOM 356 CE3 TRP A 25 -1.903 -2.784 6.997 1.00 0.51 C ATOM 357 CZ2 TRP A 25 0.168 -0.878 7.029 1.00 0.57 C ATOM 358 CZ3 TRP A 25 -1.687 -1.958 5.890 1.00 0.64 C ATOM 359 CH2 TRP A 25 -0.696 -0.965 5.922 1.00 0.65 C ATOM 0 H TRP A 25 -3.658 -6.510 9.873 1.00 0.57 H new ATOM 0 HA TRP A 25 -1.656 -5.417 8.020 1.00 0.54 H new ATOM 0 HB2 TRP A 25 -3.126 -4.047 9.720 1.00 0.43 H new ATOM 0 HB3 TRP A 25 -1.970 -4.620 10.906 1.00 0.43 H new ATOM 0 HD1 TRP A 25 0.119 -3.048 11.175 1.00 0.43 H new ATOM 0 HE1 TRP A 25 1.260 -1.237 9.735 1.00 0.44 H new ATOM 0 HE3 TRP A 25 -2.680 -3.533 6.957 1.00 0.51 H new ATOM 0 HZ2 TRP A 25 1.004 -0.195 7.022 1.00 0.57 H new ATOM 0 HZ3 TRP A 25 -2.288 -2.085 5.002 1.00 0.64 H new ATOM 0 HH2 TRP A 25 -0.597 -0.271 5.101 1.00 0.65 H new ATOM 370 N ASP A 26 0.156 -6.899 8.770 1.00 0.62 N ATOM 371 CA ASP A 26 1.453 -7.465 9.070 1.00 0.60 C ATOM 372 C ASP A 26 2.438 -6.343 9.380 1.00 0.69 C ATOM 373 O ASP A 26 2.930 -5.637 8.499 1.00 1.25 O ATOM 374 CB ASP A 26 1.918 -8.396 7.939 1.00 0.62 C ATOM 375 CG ASP A 26 0.960 -8.452 6.777 1.00 2.54 C ATOM 376 OD1 ASP A 26 0.925 -7.502 5.976 1.00 3.96 O ATOM 377 OD2 ASP A 26 0.213 -9.450 6.764 1.00 3.60 O ATOM 0 H ASP A 26 0.016 -6.797 7.765 1.00 0.62 H new ATOM 0 HA ASP A 26 1.391 -8.092 9.960 1.00 0.60 H new ATOM 0 HB2 ASP A 26 2.892 -8.062 7.581 1.00 0.62 H new ATOM 0 HB3 ASP A 26 2.052 -9.401 8.338 1.00 0.62 H new ATOM 382 N ALA A 27 2.733 -6.189 10.667 1.00 0.56 N ATOM 383 CA ALA A 27 3.589 -5.141 11.170 1.00 0.59 C ATOM 384 C ALA A 27 4.990 -5.315 10.613 1.00 0.54 C ATOM 385 O ALA A 27 5.650 -4.321 10.334 1.00 0.54 O ATOM 386 CB ALA A 27 3.609 -5.168 12.700 1.00 0.73 C ATOM 0 H ALA A 27 2.373 -6.805 11.396 1.00 0.56 H new ATOM 0 HA ALA A 27 3.202 -4.174 10.850 1.00 0.59 H new ATOM 0 HB1 ALA A 27 4.258 -4.374 13.069 1.00 0.73 H new ATOM 0 HB2 ALA A 27 2.598 -5.018 13.080 1.00 0.73 H new ATOM 0 HB3 ALA A 27 3.985 -6.132 13.042 1.00 0.73 H new ATOM 392 N ASN A 28 5.466 -6.546 10.423 1.00 0.57 N ATOM 393 CA ASN A 28 6.822 -6.736 9.926 1.00 0.60 C ATOM 394 C ASN A 28 6.895 -6.267 8.478 1.00 0.55 C ATOM 395 O ASN A 28 7.765 -5.468 8.137 1.00 0.54 O ATOM 396 CB ASN A 28 7.297 -8.187 10.042 1.00 0.80 C ATOM 397 CG ASN A 28 7.152 -8.745 11.447 1.00 0.93 C ATOM 398 OD1 ASN A 28 7.439 -8.061 12.423 1.00 1.77 O ATOM 399 ND2 ASN A 28 6.661 -9.970 11.575 1.00 1.63 N ATOM 0 H ASN A 28 4.945 -7.405 10.601 1.00 0.57 H new ATOM 0 HA ASN A 28 7.491 -6.141 10.549 1.00 0.60 H new ATOM 0 HB2 ASN A 28 6.728 -8.807 9.350 1.00 0.80 H new ATOM 0 HB3 ASN A 28 8.342 -8.247 9.738 1.00 0.80 H new ATOM 0 HD21 ASN A 28 6.513 -10.366 12.503 1.00 1.63 H new ATOM 0 HD22 ASN A 28 6.431 -10.517 10.745 1.00 1.63 H new ATOM 406 N LEU A 29 5.970 -6.711 7.622 1.00 0.59 N ATOM 407 CA LEU A 29 5.894 -6.214 6.257 1.00 0.55 C ATOM 408 C LEU A 29 5.805 -4.687 6.264 1.00 0.47 C ATOM 409 O LEU A 29 6.542 -4.031 5.534 1.00 0.49 O ATOM 410 CB LEU A 29 4.696 -6.832 5.523 1.00 0.64 C ATOM 411 CG LEU A 29 4.920 -8.292 5.108 1.00 0.80 C ATOM 412 CD1 LEU A 29 3.621 -9.078 4.946 1.00 1.25 C ATOM 413 CD2 LEU A 29 5.559 -8.332 3.734 1.00 0.55 C ATOM 0 H LEU A 29 5.267 -7.412 7.855 1.00 0.59 H new ATOM 0 HA LEU A 29 6.798 -6.506 5.723 1.00 0.55 H new ATOM 0 HB2 LEU A 29 3.818 -6.776 6.166 1.00 0.64 H new ATOM 0 HB3 LEU A 29 4.479 -6.239 4.634 1.00 0.64 H new ATOM 0 HG LEU A 29 5.532 -8.729 5.897 1.00 0.80 H new ATOM 0 HD11 LEU A 29 3.850 -10.102 4.652 1.00 1.25 H new ATOM 0 HD12 LEU A 29 3.079 -9.085 5.892 1.00 1.25 H new ATOM 0 HD13 LEU A 29 3.005 -8.609 4.179 1.00 1.25 H new ATOM 0 HD21 LEU A 29 5.719 -9.369 3.437 1.00 0.55 H new ATOM 0 HD22 LEU A 29 4.902 -7.845 3.013 1.00 0.55 H new ATOM 0 HD23 LEU A 29 6.516 -7.811 3.762 1.00 0.55 H new ATOM 425 N ALA A 30 4.926 -4.115 7.087 1.00 0.44 N ATOM 426 CA ALA A 30 4.726 -2.674 7.138 1.00 0.44 C ATOM 427 C ALA A 30 6.020 -1.960 7.515 1.00 0.41 C ATOM 428 O ALA A 30 6.441 -1.017 6.841 1.00 0.43 O ATOM 429 CB ALA A 30 3.590 -2.338 8.105 1.00 0.57 C ATOM 0 H ALA A 30 4.336 -4.639 7.734 1.00 0.44 H new ATOM 0 HA ALA A 30 4.441 -2.320 6.147 1.00 0.44 H new ATOM 0 HB1 ALA A 30 3.447 -1.258 8.137 1.00 0.57 H new ATOM 0 HB2 ALA A 30 2.671 -2.816 7.766 1.00 0.57 H new ATOM 0 HB3 ALA A 30 3.841 -2.701 9.102 1.00 0.57 H new ATOM 435 N SER A 31 6.668 -2.430 8.580 1.00 0.50 N ATOM 436 CA SER A 31 7.923 -1.905 9.048 1.00 0.65 C ATOM 437 C SER A 31 8.900 -1.910 7.879 1.00 0.67 C ATOM 438 O SER A 31 9.474 -0.880 7.537 1.00 0.78 O ATOM 439 CB SER A 31 8.407 -2.704 10.273 1.00 0.72 C ATOM 440 OG SER A 31 9.092 -3.899 9.949 1.00 0.94 O ATOM 0 H SER A 31 6.317 -3.203 9.145 1.00 0.50 H new ATOM 0 HA SER A 31 7.827 -0.876 9.393 1.00 0.65 H new ATOM 0 HB2 SER A 31 9.064 -2.071 10.870 1.00 0.72 H new ATOM 0 HB3 SER A 31 7.547 -2.948 10.897 1.00 0.72 H new ATOM 0 HG SER A 31 8.551 -4.427 9.325 1.00 0.94 H new ATOM 446 N ARG A 32 9.057 -3.060 7.224 1.00 0.63 N ATOM 447 CA ARG A 32 10.036 -3.235 6.186 1.00 0.81 C ATOM 448 C ARG A 32 9.727 -2.347 4.992 1.00 0.59 C ATOM 449 O ARG A 32 10.641 -1.764 4.428 1.00 0.61 O ATOM 450 CB ARG A 32 10.063 -4.713 5.811 1.00 1.10 C ATOM 451 CG ARG A 32 11.339 -5.073 5.095 1.00 1.48 C ATOM 452 CD ARG A 32 11.452 -6.586 4.975 1.00 1.84 C ATOM 453 NE ARG A 32 12.869 -6.967 4.873 1.00 2.72 N ATOM 454 CZ ARG A 32 13.412 -7.861 5.714 1.00 3.48 C ATOM 455 NH1 ARG A 32 12.697 -8.932 6.064 1.00 3.83 N ATOM 456 NH2 ARG A 32 14.622 -7.636 6.226 1.00 4.45 N ATOM 0 H ARG A 32 8.498 -3.893 7.410 1.00 0.63 H new ATOM 0 HA ARG A 32 11.023 -2.935 6.538 1.00 0.81 H new ATOM 0 HB2 ARG A 32 9.965 -5.320 6.711 1.00 1.10 H new ATOM 0 HB3 ARG A 32 9.209 -4.945 5.175 1.00 1.10 H new ATOM 0 HG2 ARG A 32 11.352 -4.618 4.104 1.00 1.48 H new ATOM 0 HG3 ARG A 32 12.197 -4.677 5.639 1.00 1.48 H new ATOM 0 HD2 ARG A 32 10.997 -7.065 5.842 1.00 1.84 H new ATOM 0 HD3 ARG A 32 10.907 -6.933 4.097 1.00 1.84 H new ATOM 0 HE ARG A 32 13.450 -6.544 4.149 1.00 2.72 H new ATOM 0 HH11 ARG A 32 11.755 -9.060 5.693 1.00 3.83 H new ATOM 0 HH12 ARG A 32 13.092 -9.623 6.702 1.00 3.83 H new ATOM 0 HH21 ARG A 32 15.131 -6.787 5.978 1.00 4.45 H new ATOM 0 HH22 ARG A 32 15.039 -8.312 6.866 1.00 4.45 H new ATOM 470 N ALA A 33 8.461 -2.232 4.603 1.00 0.46 N ATOM 471 CA ALA A 33 8.044 -1.374 3.510 1.00 0.42 C ATOM 472 C ALA A 33 8.432 0.074 3.812 1.00 0.38 C ATOM 473 O ALA A 33 9.011 0.758 2.973 1.00 0.42 O ATOM 474 CB ALA A 33 6.537 -1.524 3.290 1.00 0.47 C ATOM 0 H ALA A 33 7.693 -2.738 5.044 1.00 0.46 H new ATOM 0 HA ALA A 33 8.550 -1.667 2.590 1.00 0.42 H new ATOM 0 HB1 ALA A 33 6.223 -0.879 2.469 1.00 0.47 H new ATOM 0 HB2 ALA A 33 6.306 -2.561 3.046 1.00 0.47 H new ATOM 0 HB3 ALA A 33 6.006 -1.239 4.198 1.00 0.47 H new ATOM 480 N GLN A 34 8.105 0.558 5.009 1.00 0.43 N ATOM 481 CA GLN A 34 8.417 1.922 5.412 1.00 0.60 C ATOM 482 C GLN A 34 9.925 2.142 5.531 1.00 0.67 C ATOM 483 O GLN A 34 10.437 3.180 5.127 1.00 0.74 O ATOM 484 CB GLN A 34 7.652 2.242 6.705 1.00 0.96 C ATOM 485 CG GLN A 34 7.453 3.729 6.969 1.00 1.56 C ATOM 486 CD GLN A 34 8.589 4.407 7.728 1.00 1.14 C ATOM 487 OE1 GLN A 34 9.233 3.786 8.568 1.00 2.78 O ATOM 488 NE2 GLN A 34 8.814 5.688 7.472 1.00 1.47 N ATOM 0 H GLN A 34 7.618 0.015 5.722 1.00 0.43 H new ATOM 0 HA GLN A 34 8.089 2.621 4.643 1.00 0.60 H new ATOM 0 HB2 GLN A 34 6.676 1.759 6.664 1.00 0.96 H new ATOM 0 HB3 GLN A 34 8.188 1.805 7.547 1.00 0.96 H new ATOM 0 HG2 GLN A 34 7.320 4.237 6.014 1.00 1.56 H new ATOM 0 HG3 GLN A 34 6.529 3.862 7.532 1.00 1.56 H new ATOM 0 HE21 GLN A 34 8.259 6.172 6.767 1.00 1.47 H new ATOM 0 HE22 GLN A 34 9.542 6.189 7.980 1.00 1.47 H new ATOM 497 N ASN A 35 10.635 1.169 6.089 1.00 0.77 N ATOM 498 CA ASN A 35 12.075 1.244 6.305 1.00 1.09 C ATOM 499 C ASN A 35 12.779 1.265 4.951 1.00 1.04 C ATOM 500 O ASN A 35 13.657 2.086 4.704 1.00 1.15 O ATOM 501 CB ASN A 35 12.546 0.063 7.162 1.00 1.39 C ATOM 502 CG ASN A 35 12.377 0.327 8.658 1.00 1.81 C ATOM 503 OD1 ASN A 35 13.339 0.288 9.421 1.00 1.81 O ATOM 504 ND2 ASN A 35 11.161 0.569 9.116 1.00 3.17 N ATOM 0 H ASN A 35 10.221 0.293 6.409 1.00 0.77 H new ATOM 0 HA ASN A 35 12.323 2.158 6.844 1.00 1.09 H new ATOM 0 HB2 ASN A 35 11.984 -0.829 6.887 1.00 1.39 H new ATOM 0 HB3 ASN A 35 13.595 -0.143 6.948 1.00 1.39 H new ATOM 0 HD21 ASN A 35 11.013 0.726 10.113 1.00 3.17 H new ATOM 0 HD22 ASN A 35 10.370 0.599 8.472 1.00 3.17 H new ATOM 511 N TYR A 36 12.347 0.385 4.051 1.00 0.97 N ATOM 512 CA TYR A 36 12.750 0.375 2.659 1.00 1.03 C ATOM 513 C TYR A 36 12.532 1.761 2.071 1.00 0.96 C ATOM 514 O TYR A 36 13.483 2.388 1.620 1.00 1.15 O ATOM 515 CB TYR A 36 11.966 -0.705 1.901 1.00 1.06 C ATOM 516 CG TYR A 36 12.131 -0.688 0.397 1.00 1.10 C ATOM 517 CD1 TYR A 36 13.307 -1.196 -0.180 1.00 2.18 C ATOM 518 CD2 TYR A 36 11.079 -0.240 -0.427 1.00 2.08 C ATOM 519 CE1 TYR A 36 13.415 -1.292 -1.577 1.00 2.20 C ATOM 520 CE2 TYR A 36 11.191 -0.336 -1.825 1.00 2.27 C ATOM 521 CZ TYR A 36 12.347 -0.889 -2.394 1.00 1.48 C ATOM 522 OH TYR A 36 12.477 -1.024 -3.743 1.00 1.79 O ATOM 0 H TYR A 36 11.689 -0.359 4.283 1.00 0.97 H new ATOM 0 HA TYR A 36 13.809 0.132 2.568 1.00 1.03 H new ATOM 0 HB2 TYR A 36 12.274 -1.682 2.273 1.00 1.06 H new ATOM 0 HB3 TYR A 36 10.907 -0.594 2.135 1.00 1.06 H new ATOM 0 HD1 TYR A 36 14.126 -1.512 0.449 1.00 2.18 H new ATOM 0 HD2 TYR A 36 10.187 0.177 0.016 1.00 2.08 H new ATOM 0 HE1 TYR A 36 14.320 -1.676 -2.023 1.00 2.20 H new ATOM 0 HE2 TYR A 36 10.390 0.015 -2.458 1.00 2.27 H new ATOM 0 HH TYR A 36 11.593 -1.157 -4.145 1.00 1.79 H new ATOM 532 N ALA A 37 11.294 2.256 2.097 1.00 0.73 N ATOM 533 CA ALA A 37 10.963 3.582 1.597 1.00 0.69 C ATOM 534 C ALA A 37 11.931 4.631 2.165 1.00 0.75 C ATOM 535 O ALA A 37 12.431 5.480 1.429 1.00 0.89 O ATOM 536 CB ALA A 37 9.496 3.897 1.910 1.00 0.61 C ATOM 0 H ALA A 37 10.494 1.744 2.467 1.00 0.73 H new ATOM 0 HA ALA A 37 11.081 3.609 0.514 1.00 0.69 H new ATOM 0 HB1 ALA A 37 9.249 4.890 1.535 1.00 0.61 H new ATOM 0 HB2 ALA A 37 8.855 3.158 1.430 1.00 0.61 H new ATOM 0 HB3 ALA A 37 9.339 3.867 2.988 1.00 0.61 H new ATOM 542 N ASN A 38 12.229 4.550 3.464 1.00 0.72 N ATOM 543 CA ASN A 38 13.219 5.396 4.118 1.00 0.75 C ATOM 544 C ASN A 38 14.581 5.311 3.442 1.00 0.79 C ATOM 545 O ASN A 38 15.049 6.305 2.891 1.00 0.80 O ATOM 546 CB ASN A 38 13.351 5.088 5.623 1.00 0.85 C ATOM 547 CG ASN A 38 12.725 6.155 6.504 1.00 1.06 C ATOM 548 OD1 ASN A 38 12.799 7.346 6.198 1.00 1.62 O ATOM 549 ND2 ASN A 38 12.145 5.762 7.628 1.00 1.39 N ATOM 0 H ASN A 38 11.782 3.885 4.095 1.00 0.72 H new ATOM 0 HA ASN A 38 12.852 6.417 4.016 1.00 0.75 H new ATOM 0 HB2 ASN A 38 12.880 4.128 5.834 1.00 0.85 H new ATOM 0 HB3 ASN A 38 14.406 4.988 5.877 1.00 0.85 H new ATOM 0 HD21 ASN A 38 11.746 6.452 8.264 1.00 1.39 H new ATOM 0 HD22 ASN A 38 12.097 4.769 7.857 1.00 1.39 H new ATOM 556 N SER A 39 15.238 4.156 3.507 1.00 0.99 N ATOM 557 CA SER A 39 16.596 3.997 3.004 1.00 1.14 C ATOM 558 C SER A 39 16.664 3.955 1.477 1.00 1.00 C ATOM 559 O SER A 39 17.749 3.860 0.910 1.00 1.29 O ATOM 560 CB SER A 39 17.222 2.743 3.610 1.00 1.73 C ATOM 561 OG SER A 39 17.326 2.862 5.018 1.00 3.38 O ATOM 0 H SER A 39 14.843 3.306 3.910 1.00 0.99 H new ATOM 0 HA SER A 39 17.164 4.876 3.309 1.00 1.14 H new ATOM 0 HB2 SER A 39 16.618 1.871 3.358 1.00 1.73 H new ATOM 0 HB3 SER A 39 18.211 2.581 3.180 1.00 1.73 H new ATOM 0 HG SER A 39 17.728 2.048 5.386 1.00 3.38 H new ATOM 567 N ARG A 40 15.531 3.942 0.784 1.00 1.05 N ATOM 568 CA ARG A 40 15.460 4.096 -0.652 1.00 1.21 C ATOM 569 C ARG A 40 15.546 5.590 -0.995 1.00 1.17 C ATOM 570 O ARG A 40 15.908 5.934 -2.114 1.00 1.80 O ATOM 571 CB ARG A 40 14.143 3.440 -1.104 1.00 1.59 C ATOM 572 CG ARG A 40 13.896 3.392 -2.612 1.00 1.80 C ATOM 573 CD ARG A 40 14.403 2.118 -3.290 1.00 1.72 C ATOM 574 NE ARG A 40 15.869 2.119 -3.367 1.00 2.35 N ATOM 575 CZ ARG A 40 16.722 1.274 -2.771 1.00 3.71 C ATOM 576 NH1 ARG A 40 16.278 0.260 -2.032 1.00 4.41 N ATOM 577 NH2 ARG A 40 18.027 1.472 -2.899 1.00 4.76 N ATOM 0 H ARG A 40 14.618 3.821 1.222 1.00 1.05 H new ATOM 0 HA ARG A 40 16.285 3.612 -1.175 1.00 1.21 H new ATOM 0 HB2 ARG A 40 14.119 2.420 -0.720 1.00 1.59 H new ATOM 0 HB3 ARG A 40 13.316 3.976 -0.638 1.00 1.59 H new ATOM 0 HG2 ARG A 40 12.826 3.487 -2.797 1.00 1.80 H new ATOM 0 HG3 ARG A 40 14.378 4.253 -3.075 1.00 1.80 H new ATOM 0 HD2 ARG A 40 14.064 1.244 -2.733 1.00 1.72 H new ATOM 0 HD3 ARG A 40 13.981 2.041 -4.292 1.00 1.72 H new ATOM 0 HE ARG A 40 16.288 2.849 -3.942 1.00 2.35 H new ATOM 0 HH11 ARG A 40 15.275 0.117 -1.912 1.00 4.41 H new ATOM 0 HH12 ARG A 40 16.941 -0.374 -1.585 1.00 4.41 H new ATOM 0 HH21 ARG A 40 18.372 2.261 -3.446 1.00 4.76 H new ATOM 0 HH22 ARG A 40 18.686 0.836 -2.450 1.00 4.76 H new ATOM 591 N ALA A 41 15.198 6.482 -0.061 1.00 1.17 N ATOM 592 CA ALA A 41 14.886 7.883 -0.318 1.00 1.13 C ATOM 593 C ALA A 41 15.828 8.647 -1.239 1.00 1.19 C ATOM 594 O ALA A 41 15.372 9.512 -1.992 1.00 2.03 O ATOM 595 CB ALA A 41 14.727 8.626 1.010 1.00 1.20 C ATOM 0 H ALA A 41 15.125 6.235 0.926 1.00 1.17 H new ATOM 0 HA ALA A 41 13.953 7.849 -0.881 1.00 1.13 H new ATOM 0 HB1 ALA A 41 14.494 9.673 0.816 1.00 1.20 H new ATOM 0 HB2 ALA A 41 13.918 8.175 1.585 1.00 1.20 H new ATOM 0 HB3 ALA A 41 15.656 8.560 1.577 1.00 1.20 H new ATOM 601 N GLY A 42 17.123 8.380 -1.150 1.00 1.28 N ATOM 602 CA GLY A 42 18.103 9.035 -1.990 1.00 1.31 C ATOM 603 C GLY A 42 17.851 8.774 -3.476 1.00 1.26 C ATOM 604 O GLY A 42 18.014 9.675 -4.299 1.00 1.42 O ATOM 0 H GLY A 42 17.518 7.705 -0.495 1.00 1.28 H new ATOM 0 HA2 GLY A 42 18.082 10.108 -1.802 1.00 1.31 H new ATOM 0 HA3 GLY A 42 19.100 8.684 -1.724 1.00 1.31 H new ATOM 608 N ASP A 43 17.473 7.541 -3.824 1.00 1.32 N ATOM 609 CA ASP A 43 17.337 7.084 -5.211 1.00 1.62 C ATOM 610 C ASP A 43 15.864 6.998 -5.589 1.00 1.57 C ATOM 611 O ASP A 43 15.455 7.485 -6.644 1.00 2.16 O ATOM 612 CB ASP A 43 18.102 5.773 -5.474 1.00 2.06 C ATOM 613 CG ASP A 43 17.518 4.507 -4.878 1.00 3.24 C ATOM 614 OD1 ASP A 43 16.366 4.138 -5.180 1.00 3.99 O ATOM 615 OD2 ASP A 43 18.270 3.833 -4.144 1.00 4.27 O ATOM 0 H ASP A 43 17.249 6.820 -3.139 1.00 1.32 H new ATOM 0 HA ASP A 43 17.805 7.822 -5.863 1.00 1.62 H new ATOM 0 HB2 ASP A 43 18.179 5.636 -6.553 1.00 2.06 H new ATOM 0 HB3 ASP A 43 19.117 5.890 -5.094 1.00 2.06 H new ATOM 620 N CYS A 44 15.065 6.455 -4.680 1.00 1.50 N ATOM 621 CA CYS A 44 13.620 6.363 -4.749 1.00 1.38 C ATOM 622 C CYS A 44 13.139 5.650 -6.004 1.00 1.47 C ATOM 623 O CYS A 44 12.166 6.054 -6.645 1.00 1.65 O ATOM 624 CB CYS A 44 13.009 7.736 -4.620 1.00 1.50 C ATOM 625 SG CYS A 44 11.325 7.583 -4.022 1.00 1.87 S ATOM 0 H CYS A 44 15.436 6.043 -3.824 1.00 1.50 H new ATOM 0 HA CYS A 44 13.286 5.751 -3.911 1.00 1.38 H new ATOM 0 HB2 CYS A 44 13.597 8.345 -3.933 1.00 1.50 H new ATOM 0 HB3 CYS A 44 13.020 8.243 -5.585 1.00 1.50 H new ATOM 630 N ASN A 45 13.863 4.602 -6.380 1.00 2.17 N ATOM 631 CA ASN A 45 13.594 3.846 -7.589 1.00 2.57 C ATOM 632 C ASN A 45 12.279 3.087 -7.438 1.00 2.33 C ATOM 633 O ASN A 45 12.107 2.332 -6.481 1.00 3.04 O ATOM 634 CB ASN A 45 14.745 2.868 -7.846 1.00 3.26 C ATOM 635 CG ASN A 45 16.082 3.522 -8.188 1.00 4.07 C ATOM 636 OD1 ASN A 45 16.145 4.838 -8.364 1.00 5.67 O flip ATOM 637 ND2 ASN A 45 17.072 2.825 -8.382 1.00 3.80 N flip ATOM 0 H ASN A 45 14.659 4.253 -5.847 1.00 2.17 H new ATOM 0 HA ASN A 45 13.511 4.527 -8.436 1.00 2.57 H new ATOM 0 HB2 ASN A 45 14.878 2.246 -6.961 1.00 3.26 H new ATOM 0 HB3 ASN A 45 14.463 2.204 -8.663 1.00 3.26 H new ATOM 0 HD21 ASN A 45 17.020 1.815 -8.246 1.00 3.80 H new ATOM 0 HD22 ASN A 45 17.948 3.255 -8.680 1.00 3.80 H new ATOM 644 N LEU A 46 11.352 3.256 -8.384 1.00 1.84 N ATOM 645 CA LEU A 46 10.086 2.533 -8.400 1.00 1.54 C ATOM 646 C LEU A 46 10.315 1.091 -8.867 1.00 1.69 C ATOM 647 O LEU A 46 9.840 0.696 -9.932 1.00 1.85 O ATOM 648 CB LEU A 46 9.077 3.247 -9.316 1.00 1.54 C ATOM 649 CG LEU A 46 8.588 4.596 -8.766 1.00 1.45 C ATOM 650 CD1 LEU A 46 8.011 5.426 -9.915 1.00 1.92 C ATOM 651 CD2 LEU A 46 7.488 4.397 -7.715 1.00 1.18 C ATOM 0 H LEU A 46 11.463 3.904 -9.164 1.00 1.84 H new ATOM 0 HA LEU A 46 9.675 2.511 -7.391 1.00 1.54 H new ATOM 0 HB2 LEU A 46 9.536 3.408 -10.291 1.00 1.54 H new ATOM 0 HB3 LEU A 46 8.217 2.595 -9.472 1.00 1.54 H new ATOM 0 HG LEU A 46 9.435 5.104 -8.304 1.00 1.45 H new ATOM 0 HD11 LEU A 46 7.662 6.385 -9.532 1.00 1.92 H new ATOM 0 HD12 LEU A 46 8.783 5.595 -10.666 1.00 1.92 H new ATOM 0 HD13 LEU A 46 7.176 4.891 -10.367 1.00 1.92 H new ATOM 0 HD21 LEU A 46 7.161 5.368 -7.343 1.00 1.18 H new ATOM 0 HD22 LEU A 46 6.643 3.878 -8.167 1.00 1.18 H new ATOM 0 HD23 LEU A 46 7.878 3.804 -6.888 1.00 1.18 H new ATOM 663 N ILE A 47 11.026 0.285 -8.085 1.00 1.84 N ATOM 664 CA ILE A 47 11.352 -1.096 -8.420 1.00 2.09 C ATOM 665 C ILE A 47 11.078 -1.935 -7.175 1.00 2.16 C ATOM 666 O ILE A 47 11.396 -1.475 -6.077 1.00 2.85 O ATOM 667 CB ILE A 47 12.833 -1.194 -8.843 1.00 2.21 C ATOM 668 CG1 ILE A 47 13.199 -0.172 -9.937 1.00 2.42 C ATOM 669 CG2 ILE A 47 13.156 -2.606 -9.345 1.00 2.51 C ATOM 670 CD1 ILE A 47 14.704 -0.137 -10.217 1.00 3.09 C ATOM 0 H ILE A 47 11.399 0.580 -7.183 1.00 1.84 H new ATOM 0 HA ILE A 47 10.750 -1.457 -9.254 1.00 2.09 H new ATOM 0 HB ILE A 47 13.427 -0.968 -7.957 1.00 2.21 H new ATOM 0 HG12 ILE A 47 12.666 -0.419 -10.855 1.00 2.42 H new ATOM 0 HG13 ILE A 47 12.865 0.820 -9.632 1.00 2.42 H new ATOM 0 HG21 ILE A 47 14.204 -2.657 -9.639 1.00 2.51 H new ATOM 0 HG22 ILE A 47 12.967 -3.327 -8.550 1.00 2.51 H new ATOM 0 HG23 ILE A 47 12.527 -2.840 -10.204 1.00 2.51 H new ATOM 0 HD11 ILE A 47 14.912 0.598 -10.995 1.00 3.09 H new ATOM 0 HD12 ILE A 47 15.237 0.137 -9.307 1.00 3.09 H new ATOM 0 HD13 ILE A 47 15.035 -1.121 -10.549 1.00 3.09 H new ATOM 682 N HIS A 48 10.514 -3.138 -7.329 1.00 2.29 N ATOM 683 CA HIS A 48 10.497 -4.099 -6.236 1.00 2.49 C ATOM 684 C HIS A 48 11.818 -4.866 -6.272 1.00 2.75 C ATOM 685 O HIS A 48 12.889 -4.269 -6.195 1.00 3.76 O ATOM 686 CB HIS A 48 9.259 -5.022 -6.268 1.00 3.38 C ATOM 687 CG HIS A 48 9.117 -5.910 -5.036 1.00 4.86 C ATOM 688 ND1 HIS A 48 8.398 -7.088 -4.935 1.00 5.79 N ATOM 689 CD2 HIS A 48 9.509 -5.578 -3.769 1.00 6.01 C ATOM 690 CE1 HIS A 48 8.294 -7.407 -3.632 1.00 7.20 C ATOM 691 NE2 HIS A 48 8.970 -6.506 -2.903 1.00 7.42 N ATOM 0 H HIS A 48 10.071 -3.460 -8.189 1.00 2.29 H new ATOM 0 HA HIS A 48 10.408 -3.574 -5.285 1.00 2.49 H new ATOM 0 HB2 HIS A 48 8.363 -4.409 -6.367 1.00 3.38 H new ATOM 0 HB3 HIS A 48 9.312 -5.654 -7.155 1.00 3.38 H new ATOM 0 HD1 HIS A 48 8.013 -7.622 -5.714 1.00 5.79 H new ATOM 0 HD2 HIS A 48 10.130 -4.738 -3.495 1.00 6.01 H new ATOM 0 HE1 HIS A 48 7.753 -8.253 -3.236 1.00 7.20 H new ATOM 0 HE2 HIS A 48 9.068 -6.507 -1.888 1.00 7.42 H new ATOM 700 N SER A 49 11.735 -6.184 -6.385 1.00 2.96 N ATOM 701 CA SER A 49 12.806 -7.148 -6.243 1.00 3.69 C ATOM 702 C SER A 49 12.208 -8.542 -6.495 1.00 3.84 C ATOM 703 O SER A 49 12.621 -9.534 -5.900 1.00 5.06 O ATOM 704 CB SER A 49 13.422 -6.994 -4.842 1.00 4.84 C ATOM 705 OG SER A 49 12.436 -6.629 -3.886 1.00 5.17 O ATOM 0 H SER A 49 10.846 -6.638 -6.595 1.00 2.96 H new ATOM 0 HA SER A 49 13.611 -6.992 -6.961 1.00 3.69 H new ATOM 0 HB2 SER A 49 13.893 -7.931 -4.544 1.00 4.84 H new ATOM 0 HB3 SER A 49 14.206 -6.237 -4.867 1.00 4.84 H new ATOM 0 HG SER A 49 12.853 -6.539 -3.004 1.00 5.17 H new ATOM 711 N GLY A 50 11.200 -8.623 -7.365 1.00 3.18 N ATOM 712 CA GLY A 50 10.319 -9.769 -7.509 1.00 3.51 C ATOM 713 C GLY A 50 8.867 -9.293 -7.539 1.00 2.30 C ATOM 714 O GLY A 50 8.592 -8.091 -7.466 1.00 2.43 O ATOM 0 H GLY A 50 10.972 -7.864 -8.007 1.00 3.18 H new ATOM 0 HA2 GLY A 50 10.555 -10.310 -8.425 1.00 3.51 H new ATOM 0 HA3 GLY A 50 10.469 -10.463 -6.682 1.00 3.51 H new ATOM 718 N ALA A 51 7.925 -10.230 -7.635 1.00 2.28 N ATOM 719 CA ALA A 51 6.496 -9.933 -7.672 1.00 1.61 C ATOM 720 C ALA A 51 6.028 -9.424 -6.297 1.00 1.20 C ATOM 721 O ALA A 51 6.846 -9.272 -5.396 1.00 1.98 O ATOM 722 CB ALA A 51 5.771 -11.199 -8.140 1.00 2.38 C ATOM 0 H ALA A 51 8.136 -11.226 -7.690 1.00 2.28 H new ATOM 0 HA ALA A 51 6.265 -9.132 -8.375 1.00 1.61 H new ATOM 0 HB1 ALA A 51 4.698 -11.011 -8.179 1.00 2.38 H new ATOM 0 HB2 ALA A 51 6.127 -11.476 -9.132 1.00 2.38 H new ATOM 0 HB3 ALA A 51 5.972 -12.012 -7.442 1.00 2.38 H new ATOM 728 N GLY A 52 4.740 -9.132 -6.101 1.00 1.43 N ATOM 729 CA GLY A 52 4.233 -8.796 -4.768 1.00 1.03 C ATOM 730 C GLY A 52 4.649 -7.414 -4.250 1.00 0.93 C ATOM 731 O GLY A 52 5.215 -7.323 -3.162 1.00 1.87 O ATOM 0 H GLY A 52 4.036 -9.121 -6.839 1.00 1.43 H new ATOM 0 HA2 GLY A 52 3.144 -8.849 -4.785 1.00 1.03 H new ATOM 0 HA3 GLY A 52 4.578 -9.552 -4.062 1.00 1.03 H new ATOM 735 N GLU A 53 4.346 -6.338 -4.984 1.00 0.98 N ATOM 736 CA GLU A 53 4.493 -4.969 -4.491 1.00 0.82 C ATOM 737 C GLU A 53 3.541 -4.031 -5.228 1.00 0.77 C ATOM 738 O GLU A 53 3.176 -4.302 -6.373 1.00 1.11 O ATOM 739 CB GLU A 53 5.938 -4.471 -4.623 1.00 1.05 C ATOM 740 CG GLU A 53 6.339 -3.521 -3.483 1.00 1.51 C ATOM 741 CD GLU A 53 7.752 -2.999 -3.630 1.00 2.39 C ATOM 742 OE1 GLU A 53 8.084 -2.608 -4.768 1.00 3.62 O ATOM 743 OE2 GLU A 53 8.492 -3.041 -2.618 1.00 2.77 O ATOM 0 H GLU A 53 3.991 -6.395 -5.939 1.00 0.98 H new ATOM 0 HA GLU A 53 4.238 -4.973 -3.431 1.00 0.82 H new ATOM 0 HB2 GLU A 53 6.614 -5.326 -4.634 1.00 1.05 H new ATOM 0 HB3 GLU A 53 6.057 -3.958 -5.578 1.00 1.05 H new ATOM 0 HG2 GLU A 53 5.646 -2.680 -3.455 1.00 1.51 H new ATOM 0 HG3 GLU A 53 6.246 -4.043 -2.531 1.00 1.51 H new ATOM 750 N ASN A 54 3.189 -2.915 -4.595 1.00 0.56 N ATOM 751 CA ASN A 54 2.659 -1.716 -5.240 1.00 0.60 C ATOM 752 C ASN A 54 3.426 -0.550 -4.619 1.00 0.48 C ATOM 753 O ASN A 54 3.496 -0.460 -3.392 1.00 0.70 O ATOM 754 CB ASN A 54 1.166 -1.511 -4.949 1.00 0.94 C ATOM 755 CG ASN A 54 0.223 -2.314 -5.835 1.00 1.16 C ATOM 756 OD1 ASN A 54 0.510 -2.587 -6.996 1.00 2.69 O ATOM 757 ND2 ASN A 54 -0.945 -2.675 -5.322 1.00 1.28 N ATOM 0 H ASN A 54 3.268 -2.817 -3.583 1.00 0.56 H new ATOM 0 HA ASN A 54 2.771 -1.795 -6.321 1.00 0.60 H new ATOM 0 HB2 ASN A 54 0.974 -1.773 -3.908 1.00 0.94 H new ATOM 0 HB3 ASN A 54 0.931 -0.452 -5.060 1.00 0.94 H new ATOM 0 HD21 ASN A 54 -1.617 -3.186 -5.894 1.00 1.28 H new ATOM 0 HD22 ASN A 54 -1.171 -2.442 -4.355 1.00 1.28 H new ATOM 764 N LEU A 55 3.991 0.336 -5.434 1.00 0.47 N ATOM 765 CA LEU A 55 4.637 1.568 -5.003 1.00 0.47 C ATOM 766 C LEU A 55 3.865 2.758 -5.562 1.00 0.48 C ATOM 767 O LEU A 55 3.069 2.615 -6.497 1.00 0.51 O ATOM 768 CB LEU A 55 6.075 1.642 -5.532 1.00 0.60 C ATOM 769 CG LEU A 55 6.965 0.443 -5.172 1.00 0.73 C ATOM 770 CD1 LEU A 55 8.313 0.575 -5.886 1.00 0.90 C ATOM 771 CD2 LEU A 55 7.211 0.352 -3.671 1.00 0.76 C ATOM 0 H LEU A 55 4.011 0.210 -6.446 1.00 0.47 H new ATOM 0 HA LEU A 55 4.651 1.587 -3.913 1.00 0.47 H new ATOM 0 HB2 LEU A 55 6.042 1.737 -6.617 1.00 0.60 H new ATOM 0 HB3 LEU A 55 6.541 2.549 -5.147 1.00 0.60 H new ATOM 0 HG LEU A 55 6.447 -0.461 -5.491 1.00 0.73 H new ATOM 0 HD11 LEU A 55 8.945 -0.276 -5.631 1.00 0.90 H new ATOM 0 HD12 LEU A 55 8.153 0.598 -6.964 1.00 0.90 H new ATOM 0 HD13 LEU A 55 8.802 1.497 -5.572 1.00 0.90 H new ATOM 0 HD21 LEU A 55 7.845 -0.509 -3.458 1.00 0.76 H new ATOM 0 HD22 LEU A 55 7.706 1.261 -3.328 1.00 0.76 H new ATOM 0 HD23 LEU A 55 6.259 0.239 -3.152 1.00 0.76 H new ATOM 783 N ALA A 56 4.140 3.952 -5.040 1.00 0.54 N ATOM 784 CA ALA A 56 3.637 5.193 -5.598 1.00 0.57 C ATOM 785 C ALA A 56 4.528 6.349 -5.175 1.00 0.53 C ATOM 786 O ALA A 56 4.597 6.629 -3.984 1.00 0.63 O ATOM 787 CB ALA A 56 2.220 5.442 -5.089 1.00 0.57 C ATOM 0 H ALA A 56 4.723 4.080 -4.212 1.00 0.54 H new ATOM 0 HA ALA A 56 3.632 5.118 -6.685 1.00 0.57 H new ATOM 0 HB1 ALA A 56 1.842 6.374 -5.508 1.00 0.57 H new ATOM 0 HB2 ALA A 56 1.574 4.619 -5.394 1.00 0.57 H new ATOM 0 HB3 ALA A 56 2.231 5.511 -4.001 1.00 0.57 H new ATOM 793 N LYS A 57 5.154 7.047 -6.125 1.00 1.09 N ATOM 794 CA LYS A 57 5.640 8.391 -5.855 1.00 0.95 C ATOM 795 C LYS A 57 4.484 9.358 -6.098 1.00 1.03 C ATOM 796 O LYS A 57 3.750 9.193 -7.079 1.00 1.52 O ATOM 797 CB LYS A 57 6.886 8.729 -6.689 1.00 1.20 C ATOM 798 CG LYS A 57 6.637 8.963 -8.187 1.00 1.56 C ATOM 799 CD LYS A 57 7.964 9.221 -8.915 1.00 2.32 C ATOM 800 CE LYS A 57 8.537 10.623 -8.691 1.00 3.15 C ATOM 801 NZ LYS A 57 10.003 10.633 -8.881 1.00 4.42 N ATOM 0 H LYS A 57 5.332 6.707 -7.070 1.00 1.09 H new ATOM 0 HA LYS A 57 5.968 8.474 -4.819 1.00 0.95 H new ATOM 0 HB2 LYS A 57 7.349 9.623 -6.272 1.00 1.20 H new ATOM 0 HB3 LYS A 57 7.605 7.917 -6.581 1.00 1.20 H new ATOM 0 HG2 LYS A 57 6.140 8.095 -8.620 1.00 1.56 H new ATOM 0 HG3 LYS A 57 5.969 9.813 -8.323 1.00 1.56 H new ATOM 0 HD2 LYS A 57 8.696 8.484 -8.585 1.00 2.32 H new ATOM 0 HD3 LYS A 57 7.816 9.067 -9.984 1.00 2.32 H new ATOM 0 HE2 LYS A 57 8.072 11.325 -9.384 1.00 3.15 H new ATOM 0 HE3 LYS A 57 8.295 10.962 -7.684 1.00 3.15 H new ATOM 0 HZ1 LYS A 57 10.404 11.485 -8.440 1.00 4.42 H new ATOM 0 HZ2 LYS A 57 10.416 9.787 -8.440 1.00 4.42 H new ATOM 0 HZ3 LYS A 57 10.221 10.635 -9.898 1.00 4.42 H new ATOM 815 N GLY A 58 4.326 10.353 -5.236 1.00 0.87 N ATOM 816 CA GLY A 58 3.428 11.472 -5.457 1.00 1.12 C ATOM 817 C GLY A 58 4.209 12.753 -5.231 1.00 1.05 C ATOM 818 O GLY A 58 5.140 13.050 -5.978 1.00 1.98 O ATOM 0 H GLY A 58 4.828 10.404 -4.349 1.00 0.87 H new ATOM 0 HA2 GLY A 58 3.027 11.444 -6.470 1.00 1.12 H new ATOM 0 HA3 GLY A 58 2.578 11.419 -4.776 1.00 1.12 H new ATOM 822 N GLY A 59 3.851 13.493 -4.185 1.00 1.34 N ATOM 823 CA GLY A 59 4.402 14.802 -3.877 1.00 1.35 C ATOM 824 C GLY A 59 3.288 15.833 -3.996 1.00 1.44 C ATOM 825 O GLY A 59 2.839 16.159 -5.096 1.00 3.21 O ATOM 0 H GLY A 59 3.149 13.186 -3.511 1.00 1.34 H new ATOM 0 HA2 GLY A 59 4.820 14.810 -2.870 1.00 1.35 H new ATOM 0 HA3 GLY A 59 5.215 15.042 -4.562 1.00 1.35 H new ATOM 829 N GLY A 60 2.812 16.316 -2.859 1.00 1.09 N ATOM 830 CA GLY A 60 1.630 17.141 -2.708 1.00 1.67 C ATOM 831 C GLY A 60 0.830 16.578 -1.541 1.00 1.64 C ATOM 832 O GLY A 60 1.404 15.935 -0.660 1.00 1.80 O ATOM 0 H GLY A 60 3.269 16.130 -1.966 1.00 1.09 H new ATOM 0 HA2 GLY A 60 1.907 18.178 -2.519 1.00 1.67 H new ATOM 0 HA3 GLY A 60 1.035 17.131 -3.622 1.00 1.67 H new ATOM 836 N ASP A 61 -0.492 16.741 -1.554 1.00 2.45 N ATOM 837 CA ASP A 61 -1.397 16.275 -0.505 1.00 2.66 C ATOM 838 C ASP A 61 -1.645 14.756 -0.579 1.00 2.06 C ATOM 839 O ASP A 61 -2.755 14.272 -0.340 1.00 2.20 O ATOM 840 CB ASP A 61 -2.687 17.108 -0.569 1.00 3.49 C ATOM 841 CG ASP A 61 -3.675 16.605 -1.601 1.00 3.69 C ATOM 842 OD1 ASP A 61 -3.225 16.071 -2.635 1.00 3.99 O ATOM 843 OD2 ASP A 61 -4.895 16.713 -1.360 1.00 4.22 O ATOM 0 H ASP A 61 -0.977 17.214 -2.316 1.00 2.45 H new ATOM 0 HA ASP A 61 -0.936 16.426 0.471 1.00 2.66 H new ATOM 0 HB2 ASP A 61 -3.163 17.104 0.412 1.00 3.49 H new ATOM 0 HB3 ASP A 61 -2.432 18.143 -0.795 1.00 3.49 H new ATOM 848 N PHE A 62 -0.604 14.000 -0.917 1.00 1.52 N ATOM 849 CA PHE A 62 -0.685 12.616 -1.339 1.00 1.00 C ATOM 850 C PHE A 62 -0.717 11.704 -0.118 1.00 0.75 C ATOM 851 O PHE A 62 0.303 11.145 0.289 1.00 1.06 O ATOM 852 CB PHE A 62 0.498 12.315 -2.268 1.00 0.88 C ATOM 853 CG PHE A 62 0.405 10.994 -3.003 1.00 0.70 C ATOM 854 CD1 PHE A 62 -0.650 10.785 -3.908 1.00 1.51 C ATOM 855 CD2 PHE A 62 1.420 10.026 -2.880 1.00 1.73 C ATOM 856 CE1 PHE A 62 -0.679 9.629 -4.702 1.00 1.49 C ATOM 857 CE2 PHE A 62 1.425 8.902 -3.725 1.00 2.06 C ATOM 858 CZ PHE A 62 0.374 8.709 -4.639 1.00 1.30 C ATOM 0 H PHE A 62 0.353 14.354 -0.902 1.00 1.52 H new ATOM 0 HA PHE A 62 -1.605 12.433 -1.894 1.00 1.00 H new ATOM 0 HB2 PHE A 62 0.581 13.118 -3.001 1.00 0.88 H new ATOM 0 HB3 PHE A 62 1.416 12.324 -1.680 1.00 0.88 H new ATOM 0 HD1 PHE A 62 -1.440 11.516 -3.992 1.00 1.51 H new ATOM 0 HD2 PHE A 62 2.194 10.147 -2.137 1.00 1.73 H new ATOM 0 HE1 PHE A 62 -1.514 9.449 -5.362 1.00 1.49 H new ATOM 0 HE2 PHE A 62 2.234 8.189 -3.672 1.00 2.06 H new ATOM 0 HZ PHE A 62 0.379 7.850 -5.293 1.00 1.30 H new ATOM 868 N THR A 63 -1.888 11.592 0.494 1.00 0.93 N ATOM 869 CA THR A 63 -2.169 10.609 1.516 1.00 0.72 C ATOM 870 C THR A 63 -2.342 9.231 0.872 1.00 0.98 C ATOM 871 O THR A 63 -2.852 9.116 -0.242 1.00 1.94 O ATOM 872 CB THR A 63 -3.416 11.074 2.273 1.00 0.94 C ATOM 873 OG1 THR A 63 -4.327 11.711 1.394 1.00 1.64 O ATOM 874 CG2 THR A 63 -3.017 12.102 3.327 1.00 1.54 C ATOM 0 H THR A 63 -2.682 12.198 0.285 1.00 0.93 H new ATOM 0 HA THR A 63 -1.347 10.515 2.226 1.00 0.72 H new ATOM 0 HB THR A 63 -3.879 10.197 2.726 1.00 0.94 H new ATOM 0 HG1 THR A 63 -5.118 12.000 1.895 1.00 1.64 H new ATOM 0 HG21 THR A 63 -3.904 12.433 3.866 1.00 1.54 H new ATOM 0 HG22 THR A 63 -2.314 11.651 4.027 1.00 1.54 H new ATOM 0 HG23 THR A 63 -2.547 12.957 2.841 1.00 1.54 H new ATOM 882 N GLY A 64 -1.918 8.179 1.570 1.00 0.52 N ATOM 883 CA GLY A 64 -1.940 6.818 1.057 1.00 0.63 C ATOM 884 C GLY A 64 -3.306 6.399 0.507 1.00 0.62 C ATOM 885 O GLY A 64 -3.369 5.668 -0.480 1.00 0.69 O ATOM 0 H GLY A 64 -1.546 8.252 2.517 1.00 0.52 H new ATOM 0 HA2 GLY A 64 -1.194 6.723 0.268 1.00 0.63 H new ATOM 0 HA3 GLY A 64 -1.651 6.132 1.854 1.00 0.63 H new ATOM 889 N ARG A 65 -4.406 6.869 1.106 1.00 0.57 N ATOM 890 CA ARG A 65 -5.741 6.610 0.578 1.00 0.59 C ATOM 891 C ARG A 65 -5.807 6.966 -0.916 1.00 0.62 C ATOM 892 O ARG A 65 -6.294 6.170 -1.719 1.00 0.69 O ATOM 893 CB ARG A 65 -6.799 7.359 1.408 1.00 0.62 C ATOM 894 CG ARG A 65 -8.191 7.226 0.773 1.00 1.15 C ATOM 895 CD ARG A 65 -9.358 7.173 1.768 1.00 1.23 C ATOM 896 NE ARG A 65 -10.631 7.092 1.027 1.00 1.95 N ATOM 897 CZ ARG A 65 -11.842 6.796 1.528 1.00 2.37 C ATOM 898 NH1 ARG A 65 -11.979 6.383 2.787 1.00 3.03 N ATOM 899 NH2 ARG A 65 -12.919 6.906 0.750 1.00 3.23 N ATOM 0 H ARG A 65 -4.393 7.431 1.957 1.00 0.57 H new ATOM 0 HA ARG A 65 -5.961 5.546 0.662 1.00 0.59 H new ATOM 0 HB2 ARG A 65 -6.819 6.962 2.423 1.00 0.62 H new ATOM 0 HB3 ARG A 65 -6.529 8.412 1.483 1.00 0.62 H new ATOM 0 HG2 ARG A 65 -8.347 8.067 0.098 1.00 1.15 H new ATOM 0 HG3 ARG A 65 -8.211 6.322 0.165 1.00 1.15 H new ATOM 0 HD2 ARG A 65 -9.251 6.310 2.425 1.00 1.23 H new ATOM 0 HD3 ARG A 65 -9.350 8.059 2.403 1.00 1.23 H new ATOM 0 HE ARG A 65 -10.587 7.281 0.026 1.00 1.95 H new ATOM 0 HH11 ARG A 65 -11.158 6.288 3.385 1.00 3.03 H new ATOM 0 HH12 ARG A 65 -12.905 6.162 3.153 1.00 3.03 H new ATOM 0 HH21 ARG A 65 -12.820 7.213 -0.218 1.00 3.23 H new ATOM 0 HH22 ARG A 65 -13.842 6.683 1.122 1.00 3.23 H new ATOM 913 N ALA A 66 -5.302 8.144 -1.290 1.00 0.59 N ATOM 914 CA ALA A 66 -5.269 8.580 -2.683 1.00 0.66 C ATOM 915 C ALA A 66 -4.417 7.620 -3.510 1.00 0.65 C ATOM 916 O ALA A 66 -4.809 7.211 -4.597 1.00 0.65 O ATOM 917 CB ALA A 66 -4.728 10.010 -2.786 1.00 0.71 C ATOM 0 H ALA A 66 -4.906 8.819 -0.636 1.00 0.59 H new ATOM 0 HA ALA A 66 -6.285 8.573 -3.078 1.00 0.66 H new ATOM 0 HB1 ALA A 66 -4.711 10.318 -3.831 1.00 0.71 H new ATOM 0 HB2 ALA A 66 -5.371 10.684 -2.220 1.00 0.71 H new ATOM 0 HB3 ALA A 66 -3.717 10.047 -2.380 1.00 0.71 H new ATOM 923 N ALA A 67 -3.253 7.224 -2.994 1.00 0.70 N ATOM 924 CA ALA A 67 -2.390 6.292 -3.702 1.00 0.74 C ATOM 925 C ALA A 67 -3.142 4.994 -4.018 1.00 0.64 C ATOM 926 O ALA A 67 -3.202 4.600 -5.181 1.00 0.67 O ATOM 927 CB ALA A 67 -1.104 6.048 -2.911 1.00 0.83 C ATOM 0 H ALA A 67 -2.892 7.535 -2.092 1.00 0.70 H new ATOM 0 HA ALA A 67 -2.099 6.729 -4.657 1.00 0.74 H new ATOM 0 HB1 ALA A 67 -0.470 5.348 -3.455 1.00 0.83 H new ATOM 0 HB2 ALA A 67 -0.574 6.991 -2.779 1.00 0.83 H new ATOM 0 HB3 ALA A 67 -1.351 5.630 -1.935 1.00 0.83 H new ATOM 933 N VAL A 68 -3.752 4.333 -3.030 1.00 0.55 N ATOM 934 CA VAL A 68 -4.568 3.153 -3.335 1.00 0.51 C ATOM 935 C VAL A 68 -5.645 3.500 -4.357 1.00 0.50 C ATOM 936 O VAL A 68 -5.842 2.775 -5.325 1.00 0.50 O ATOM 937 CB VAL A 68 -5.216 2.506 -2.101 1.00 0.51 C ATOM 938 CG1 VAL A 68 -5.828 1.153 -2.506 1.00 0.54 C ATOM 939 CG2 VAL A 68 -4.157 2.204 -1.058 1.00 0.51 C ATOM 0 H VAL A 68 -3.701 4.583 -2.042 1.00 0.55 H new ATOM 0 HA VAL A 68 -3.878 2.416 -3.746 1.00 0.51 H new ATOM 0 HB VAL A 68 -5.968 3.190 -1.707 1.00 0.51 H new ATOM 0 HG11 VAL A 68 -6.290 0.687 -1.635 1.00 0.54 H new ATOM 0 HG12 VAL A 68 -6.583 1.311 -3.276 1.00 0.54 H new ATOM 0 HG13 VAL A 68 -5.045 0.501 -2.894 1.00 0.54 H new ATOM 0 HG21 VAL A 68 -4.625 1.746 -0.187 1.00 0.51 H new ATOM 0 HG22 VAL A 68 -3.419 1.519 -1.476 1.00 0.51 H new ATOM 0 HG23 VAL A 68 -3.665 3.130 -0.761 1.00 0.51 H new ATOM 949 N GLN A 69 -6.351 4.605 -4.158 1.00 0.51 N ATOM 950 CA GLN A 69 -7.365 5.056 -5.095 1.00 0.55 C ATOM 951 C GLN A 69 -6.807 5.219 -6.515 1.00 0.64 C ATOM 952 O GLN A 69 -7.541 5.001 -7.485 1.00 0.71 O ATOM 953 CB GLN A 69 -7.981 6.344 -4.549 1.00 0.61 C ATOM 954 CG GLN A 69 -9.030 5.994 -3.501 1.00 0.66 C ATOM 955 CD GLN A 69 -9.502 7.177 -2.671 1.00 1.66 C ATOM 956 OE1 GLN A 69 -10.224 6.984 -1.697 1.00 2.83 O ATOM 957 NE2 GLN A 69 -9.132 8.401 -3.014 1.00 2.68 N ATOM 0 H GLN A 69 -6.236 5.210 -3.345 1.00 0.51 H new ATOM 0 HA GLN A 69 -8.145 4.300 -5.186 1.00 0.55 H new ATOM 0 HB2 GLN A 69 -7.207 6.973 -4.110 1.00 0.61 H new ATOM 0 HB3 GLN A 69 -8.435 6.915 -5.359 1.00 0.61 H new ATOM 0 HG2 GLN A 69 -9.891 5.548 -4.000 1.00 0.66 H new ATOM 0 HG3 GLN A 69 -8.621 5.236 -2.833 1.00 0.66 H new ATOM 0 HE21 GLN A 69 -8.532 8.544 -3.826 1.00 2.68 H new ATOM 0 HE22 GLN A 69 -9.447 9.201 -2.466 1.00 2.68 H new ATOM 966 N LEU A 70 -5.531 5.568 -6.663 1.00 0.68 N ATOM 967 CA LEU A 70 -4.906 5.724 -7.961 1.00 0.76 C ATOM 968 C LEU A 70 -4.658 4.300 -8.485 1.00 0.64 C ATOM 969 O LEU A 70 -4.965 3.987 -9.632 1.00 0.70 O ATOM 970 CB LEU A 70 -3.688 6.654 -7.778 1.00 0.97 C ATOM 971 CG LEU A 70 -2.637 6.792 -8.889 1.00 1.08 C ATOM 972 CD1 LEU A 70 -1.607 5.667 -8.962 1.00 1.80 C ATOM 973 CD2 LEU A 70 -3.292 7.013 -10.248 1.00 2.65 C ATOM 0 H LEU A 70 -4.905 5.750 -5.879 1.00 0.68 H new ATOM 0 HA LEU A 70 -5.500 6.217 -8.731 1.00 0.76 H new ATOM 0 HB2 LEU A 70 -4.074 7.653 -7.575 1.00 0.97 H new ATOM 0 HB3 LEU A 70 -3.165 6.326 -6.880 1.00 0.97 H new ATOM 0 HG LEU A 70 -2.066 7.677 -8.609 1.00 1.08 H new ATOM 0 HD11 LEU A 70 -0.913 5.862 -9.779 1.00 1.80 H new ATOM 0 HD12 LEU A 70 -1.056 5.616 -8.023 1.00 1.80 H new ATOM 0 HD13 LEU A 70 -2.116 4.719 -9.136 1.00 1.80 H new ATOM 0 HD21 LEU A 70 -2.521 7.107 -11.013 1.00 2.65 H new ATOM 0 HD22 LEU A 70 -3.936 6.166 -10.484 1.00 2.65 H new ATOM 0 HD23 LEU A 70 -3.888 7.925 -10.220 1.00 2.65 H new ATOM 985 N TRP A 71 -4.213 3.383 -7.623 1.00 0.57 N ATOM 986 CA TRP A 71 -4.008 1.973 -7.970 1.00 0.54 C ATOM 987 C TRP A 71 -5.311 1.289 -8.386 1.00 0.50 C ATOM 988 O TRP A 71 -5.295 0.391 -9.221 1.00 0.74 O ATOM 989 CB TRP A 71 -3.363 1.210 -6.802 1.00 0.58 C ATOM 990 CG TRP A 71 -2.116 1.810 -6.243 1.00 0.61 C ATOM 991 CD1 TRP A 71 -1.451 2.853 -6.774 1.00 0.72 C ATOM 992 CD2 TRP A 71 -1.399 1.472 -5.022 1.00 0.57 C ATOM 993 NE1 TRP A 71 -0.526 3.310 -5.877 1.00 0.69 N ATOM 994 CE2 TRP A 71 -0.379 2.447 -4.814 1.00 0.59 C ATOM 995 CE3 TRP A 71 -1.516 0.450 -4.061 1.00 0.65 C ATOM 996 CZ2 TRP A 71 0.477 2.412 -3.705 1.00 0.63 C ATOM 997 CZ3 TRP A 71 -0.613 0.361 -2.989 1.00 0.81 C ATOM 998 CH2 TRP A 71 0.390 1.332 -2.817 1.00 0.81 C ATOM 0 H TRP A 71 -3.982 3.600 -6.653 1.00 0.57 H new ATOM 0 HA TRP A 71 -3.333 1.952 -8.825 1.00 0.54 H new ATOM 0 HB2 TRP A 71 -4.095 1.127 -5.999 1.00 0.58 H new ATOM 0 HB3 TRP A 71 -3.138 0.197 -7.135 1.00 0.58 H new ATOM 0 HD1 TRP A 71 -1.622 3.265 -7.757 1.00 0.72 H new ATOM 0 HE1 TRP A 71 -0.009 4.183 -5.982 1.00 0.69 H new ATOM 0 HE3 TRP A 71 -2.311 -0.276 -4.149 1.00 0.65 H new ATOM 0 HZ2 TRP A 71 1.192 3.204 -3.538 1.00 0.63 H new ATOM 0 HZ3 TRP A 71 -0.689 -0.460 -2.291 1.00 0.81 H new ATOM 0 HH2 TRP A 71 1.092 1.245 -2.001 1.00 0.81 H new ATOM 1009 N VAL A 72 -6.429 1.685 -7.783 1.00 0.41 N ATOM 1010 CA VAL A 72 -7.756 1.152 -8.057 1.00 0.43 C ATOM 1011 C VAL A 72 -8.392 1.877 -9.249 1.00 0.52 C ATOM 1012 O VAL A 72 -9.500 1.540 -9.667 1.00 0.62 O ATOM 1013 CB VAL A 72 -8.590 1.227 -6.761 1.00 0.43 C ATOM 1014 CG1 VAL A 72 -10.067 0.832 -6.910 1.00 0.49 C ATOM 1015 CG2 VAL A 72 -7.991 0.281 -5.714 1.00 0.49 C ATOM 0 H VAL A 72 -6.434 2.411 -7.066 1.00 0.41 H new ATOM 0 HA VAL A 72 -7.704 0.104 -8.353 1.00 0.43 H new ATOM 0 HB VAL A 72 -8.556 2.277 -6.472 1.00 0.43 H new ATOM 0 HG11 VAL A 72 -10.566 0.918 -5.945 1.00 0.49 H new ATOM 0 HG12 VAL A 72 -10.550 1.494 -7.628 1.00 0.49 H new ATOM 0 HG13 VAL A 72 -10.135 -0.197 -7.263 1.00 0.49 H new ATOM 0 HG21 VAL A 72 -8.579 0.333 -4.798 1.00 0.49 H new ATOM 0 HG22 VAL A 72 -8.004 -0.740 -6.096 1.00 0.49 H new ATOM 0 HG23 VAL A 72 -6.963 0.576 -5.503 1.00 0.49 H new ATOM 1025 N SER A 73 -7.703 2.853 -9.845 1.00 0.69 N ATOM 1026 CA SER A 73 -8.219 3.573 -10.998 1.00 0.81 C ATOM 1027 C SER A 73 -8.402 2.656 -12.221 1.00 0.81 C ATOM 1028 O SER A 73 -9.015 3.072 -13.199 1.00 0.85 O ATOM 1029 CB SER A 73 -7.342 4.806 -11.279 1.00 1.07 C ATOM 1030 OG SER A 73 -8.098 5.877 -11.820 1.00 2.18 O ATOM 0 H SER A 73 -6.779 3.160 -9.540 1.00 0.69 H new ATOM 0 HA SER A 73 -9.222 3.933 -10.769 1.00 0.81 H new ATOM 0 HB2 SER A 73 -6.863 5.130 -10.355 1.00 1.07 H new ATOM 0 HB3 SER A 73 -6.546 4.536 -11.973 1.00 1.07 H new ATOM 0 HG SER A 73 -7.509 6.643 -11.984 1.00 2.18 H new ATOM 1036 N GLU A 74 -7.939 1.401 -12.188 1.00 0.94 N ATOM 1037 CA GLU A 74 -8.115 0.452 -13.285 1.00 0.99 C ATOM 1038 C GLU A 74 -9.588 0.083 -13.558 1.00 0.99 C ATOM 1039 O GLU A 74 -9.821 -0.785 -14.392 1.00 1.26 O ATOM 1040 CB GLU A 74 -7.354 -0.865 -13.019 1.00 1.46 C ATOM 1041 CG GLU A 74 -5.983 -0.783 -12.336 1.00 1.93 C ATOM 1042 CD GLU A 74 -4.900 -0.186 -13.198 1.00 2.19 C ATOM 1043 OE1 GLU A 74 -4.906 1.044 -13.405 1.00 2.89 O ATOM 1044 OE2 GLU A 74 -4.031 -0.955 -13.646 1.00 2.95 O ATOM 0 H GLU A 74 -7.429 1.016 -11.393 1.00 0.94 H new ATOM 0 HA GLU A 74 -7.716 0.969 -14.157 1.00 0.99 H new ATOM 0 HB2 GLU A 74 -7.993 -1.502 -12.407 1.00 1.46 H new ATOM 0 HB3 GLU A 74 -7.220 -1.372 -13.975 1.00 1.46 H new ATOM 0 HG2 GLU A 74 -6.077 -0.189 -11.427 1.00 1.93 H new ATOM 0 HG3 GLU A 74 -5.680 -1.785 -12.033 1.00 1.93 H new ATOM 1051 N ARG A 75 -10.581 0.632 -12.849 1.00 0.94 N ATOM 1052 CA ARG A 75 -11.970 0.170 -12.927 1.00 1.09 C ATOM 1053 C ARG A 75 -12.500 -0.070 -14.351 1.00 1.18 C ATOM 1054 O ARG A 75 -12.944 -1.182 -14.620 1.00 1.32 O ATOM 1055 CB ARG A 75 -12.919 1.051 -12.101 1.00 1.16 C ATOM 1056 CG ARG A 75 -13.955 0.234 -11.310 1.00 1.09 C ATOM 1057 CD ARG A 75 -13.676 0.333 -9.802 1.00 1.45 C ATOM 1058 NE ARG A 75 -14.118 1.619 -9.241 1.00 1.89 N ATOM 1059 CZ ARG A 75 -15.360 1.871 -8.795 1.00 2.32 C ATOM 1060 NH1 ARG A 75 -16.324 0.966 -8.964 1.00 2.91 N ATOM 1061 NH2 ARG A 75 -15.626 3.020 -8.173 1.00 3.59 N ATOM 0 H ARG A 75 -10.443 1.410 -12.204 1.00 0.94 H new ATOM 0 HA ARG A 75 -11.950 -0.821 -12.474 1.00 1.09 H new ATOM 0 HB2 ARG A 75 -12.334 1.656 -11.408 1.00 1.16 H new ATOM 0 HB3 ARG A 75 -13.438 1.741 -12.766 1.00 1.16 H new ATOM 0 HG2 ARG A 75 -14.959 0.601 -11.526 1.00 1.09 H new ATOM 0 HG3 ARG A 75 -13.922 -0.809 -11.625 1.00 1.09 H new ATOM 0 HD2 ARG A 75 -14.184 -0.481 -9.285 1.00 1.45 H new ATOM 0 HD3 ARG A 75 -12.608 0.207 -9.622 1.00 1.45 H new ATOM 0 HE ARG A 75 -13.433 2.373 -9.187 1.00 1.89 H new ATOM 0 HH11 ARG A 75 -16.118 0.083 -9.432 1.00 2.91 H new ATOM 0 HH12 ARG A 75 -17.267 1.156 -8.626 1.00 2.91 H new ATOM 0 HH21 ARG A 75 -14.886 3.709 -8.035 1.00 3.59 H new ATOM 0 HH22 ARG A 75 -16.569 3.210 -7.835 1.00 3.59 H new ATOM 1075 N PRO A 76 -12.435 0.896 -15.285 1.00 1.20 N ATOM 1076 CA PRO A 76 -12.908 0.691 -16.655 1.00 1.38 C ATOM 1077 C PRO A 76 -12.226 -0.474 -17.392 1.00 1.40 C ATOM 1078 O PRO A 76 -12.658 -0.836 -18.489 1.00 1.80 O ATOM 1079 CB PRO A 76 -12.680 2.028 -17.376 1.00 1.51 C ATOM 1080 CG PRO A 76 -11.601 2.713 -16.540 1.00 1.22 C ATOM 1081 CD PRO A 76 -11.961 2.264 -15.128 1.00 1.16 C ATOM 0 HA PRO A 76 -13.958 0.401 -16.640 1.00 1.38 H new ATOM 0 HB2 PRO A 76 -12.353 1.877 -18.405 1.00 1.51 H new ATOM 0 HB3 PRO A 76 -13.593 2.622 -17.415 1.00 1.51 H new ATOM 0 HG2 PRO A 76 -10.599 2.394 -16.827 1.00 1.22 H new ATOM 0 HG3 PRO A 76 -11.632 3.798 -16.644 1.00 1.22 H new ATOM 0 HD2 PRO A 76 -11.097 2.310 -14.465 1.00 1.16 H new ATOM 0 HD3 PRO A 76 -12.730 2.902 -14.693 1.00 1.16 H new ATOM 1089 N SER A 77 -11.144 -1.040 -16.854 1.00 1.23 N ATOM 1090 CA SER A 77 -10.505 -2.242 -17.360 1.00 1.36 C ATOM 1091 C SER A 77 -10.645 -3.436 -16.407 1.00 1.30 C ATOM 1092 O SER A 77 -10.585 -4.569 -16.869 1.00 1.53 O ATOM 1093 CB SER A 77 -9.032 -1.943 -17.670 1.00 1.56 C ATOM 1094 OG SER A 77 -8.503 -0.985 -16.771 1.00 1.64 O ATOM 0 H SER A 77 -10.680 -0.658 -16.030 1.00 1.23 H new ATOM 0 HA SER A 77 -11.017 -2.534 -18.277 1.00 1.36 H new ATOM 0 HB2 SER A 77 -8.451 -2.863 -17.608 1.00 1.56 H new ATOM 0 HB3 SER A 77 -8.940 -1.576 -18.692 1.00 1.56 H new ATOM 0 HG SER A 77 -8.930 -1.088 -15.895 1.00 1.64 H new ATOM 1100 N TYR A 78 -10.828 -3.252 -15.100 1.00 1.15 N ATOM 1101 CA TYR A 78 -10.987 -4.397 -14.216 1.00 1.11 C ATOM 1102 C TYR A 78 -12.464 -4.786 -14.294 1.00 1.13 C ATOM 1103 O TYR A 78 -13.345 -4.038 -13.882 1.00 1.39 O ATOM 1104 CB TYR A 78 -10.432 -4.128 -12.797 1.00 1.18 C ATOM 1105 CG TYR A 78 -11.427 -4.018 -11.654 1.00 0.94 C ATOM 1106 CD1 TYR A 78 -12.267 -5.102 -11.330 1.00 1.74 C ATOM 1107 CD2 TYR A 78 -11.461 -2.864 -10.851 1.00 1.97 C ATOM 1108 CE1 TYR A 78 -13.328 -4.920 -10.427 1.00 2.00 C ATOM 1109 CE2 TYR A 78 -12.440 -2.737 -9.851 1.00 2.22 C ATOM 1110 CZ TYR A 78 -13.422 -3.726 -9.695 1.00 1.70 C ATOM 1111 OH TYR A 78 -14.436 -3.548 -8.803 1.00 2.31 O ATOM 0 H TYR A 78 -10.869 -2.342 -14.641 1.00 1.15 H new ATOM 0 HA TYR A 78 -10.385 -5.251 -14.529 1.00 1.11 H new ATOM 0 HB2 TYR A 78 -9.731 -4.927 -12.555 1.00 1.18 H new ATOM 0 HB3 TYR A 78 -9.859 -3.201 -12.832 1.00 1.18 H new ATOM 0 HD1 TYR A 78 -12.096 -6.071 -11.775 1.00 1.74 H new ATOM 0 HD2 TYR A 78 -10.737 -2.077 -11.002 1.00 1.97 H new ATOM 0 HE1 TYR A 78 -14.068 -5.696 -10.297 1.00 2.00 H new ATOM 0 HE2 TYR A 78 -12.436 -1.875 -9.200 1.00 2.22 H new ATOM 0 HH TYR A 78 -14.189 -2.850 -8.162 1.00 2.31 H new ATOM 1121 N ASN A 79 -12.742 -5.962 -14.853 1.00 1.06 N ATOM 1122 CA ASN A 79 -14.084 -6.499 -14.987 1.00 1.10 C ATOM 1123 C ASN A 79 -14.031 -7.830 -14.262 1.00 1.09 C ATOM 1124 O ASN A 79 -13.009 -8.503 -14.345 1.00 1.60 O ATOM 1125 CB ASN A 79 -14.410 -6.653 -16.479 1.00 1.23 C ATOM 1126 CG ASN A 79 -15.710 -7.409 -16.744 1.00 1.56 C ATOM 1127 OD1 ASN A 79 -15.794 -8.220 -17.666 1.00 2.05 O ATOM 1128 ND2 ASN A 79 -16.769 -7.129 -15.997 1.00 2.66 N ATOM 0 H ASN A 79 -12.022 -6.577 -15.232 1.00 1.06 H new ATOM 0 HA ASN A 79 -14.864 -5.864 -14.567 1.00 1.10 H new ATOM 0 HB2 ASN A 79 -14.475 -5.664 -16.932 1.00 1.23 H new ATOM 0 HB3 ASN A 79 -13.589 -7.175 -16.970 1.00 1.23 H new ATOM 0 HD21 ASN A 79 -17.661 -7.587 -16.185 1.00 2.66 H new ATOM 0 HD22 ASN A 79 -16.692 -6.456 -15.235 1.00 2.66 H new ATOM 1135 N TYR A 80 -15.043 -8.200 -13.482 1.00 1.32 N ATOM 1136 CA TYR A 80 -15.151 -9.587 -13.071 1.00 1.29 C ATOM 1137 C TYR A 80 -15.811 -10.298 -14.249 1.00 1.48 C ATOM 1138 O TYR A 80 -15.257 -10.255 -15.343 1.00 1.89 O ATOM 1139 CB TYR A 80 -15.840 -9.714 -11.706 1.00 1.36 C ATOM 1140 CG TYR A 80 -15.486 -10.968 -10.913 1.00 1.22 C ATOM 1141 CD1 TYR A 80 -15.097 -12.168 -11.549 1.00 1.57 C ATOM 1142 CD2 TYR A 80 -15.423 -10.890 -9.510 1.00 2.61 C ATOM 1143 CE1 TYR A 80 -14.722 -13.285 -10.784 1.00 1.73 C ATOM 1144 CE2 TYR A 80 -14.969 -11.984 -8.757 1.00 2.56 C ATOM 1145 CZ TYR A 80 -14.714 -13.207 -9.381 1.00 1.36 C ATOM 1146 OH TYR A 80 -14.595 -14.322 -8.608 1.00 1.63 O ATOM 0 H TYR A 80 -15.774 -7.580 -13.134 1.00 1.32 H new ATOM 0 HA TYR A 80 -14.194 -10.070 -12.875 1.00 1.29 H new ATOM 0 HB2 TYR A 80 -15.585 -8.840 -11.106 1.00 1.36 H new ATOM 0 HB3 TYR A 80 -16.919 -9.693 -11.858 1.00 1.36 H new ATOM 0 HD1 TYR A 80 -15.088 -12.227 -12.627 1.00 1.57 H new ATOM 0 HD2 TYR A 80 -15.726 -9.982 -9.009 1.00 2.61 H new ATOM 0 HE1 TYR A 80 -14.440 -14.205 -11.275 1.00 1.73 H new ATOM 0 HE2 TYR A 80 -14.817 -11.880 -7.693 1.00 2.56 H new ATOM 0 HH TYR A 80 -14.609 -14.067 -7.662 1.00 1.63 H new ATOM 1156 N ALA A 81 -16.935 -10.985 -14.050 1.00 2.28 N ATOM 1157 CA ALA A 81 -17.750 -11.619 -15.056 1.00 2.55 C ATOM 1158 C ALA A 81 -17.159 -12.980 -15.374 1.00 2.89 C ATOM 1159 O ALA A 81 -17.849 -13.993 -15.362 1.00 3.34 O ATOM 1160 CB ALA A 81 -17.944 -10.726 -16.269 1.00 2.45 C ATOM 0 H ALA A 81 -17.317 -11.116 -13.113 1.00 2.28 H new ATOM 0 HA ALA A 81 -18.759 -11.779 -14.677 1.00 2.55 H new ATOM 0 HB1 ALA A 81 -18.564 -11.240 -17.004 1.00 2.45 H new ATOM 0 HB2 ALA A 81 -18.434 -9.801 -15.965 1.00 2.45 H new ATOM 0 HB3 ALA A 81 -16.974 -10.495 -16.710 1.00 2.45 H new ATOM 1166 N THR A 82 -15.861 -12.970 -15.649 1.00 2.85 N ATOM 1167 CA THR A 82 -15.082 -14.121 -15.996 1.00 3.28 C ATOM 1168 C THR A 82 -14.037 -14.246 -14.896 1.00 3.30 C ATOM 1169 O THR A 82 -14.342 -14.802 -13.841 1.00 5.00 O ATOM 1170 CB THR A 82 -14.566 -13.912 -17.427 1.00 3.43 C ATOM 1171 OG1 THR A 82 -13.705 -12.792 -17.546 1.00 3.19 O ATOM 1172 CG2 THR A 82 -15.777 -13.625 -18.315 1.00 3.62 C ATOM 0 H THR A 82 -15.310 -12.112 -15.632 1.00 2.85 H new ATOM 0 HA THR A 82 -15.613 -15.072 -16.032 1.00 3.28 H new ATOM 0 HB THR A 82 -14.012 -14.807 -17.711 1.00 3.43 H new ATOM 0 HG1 THR A 82 -13.405 -12.707 -18.475 1.00 3.19 H new ATOM 0 HG21 THR A 82 -15.447 -13.471 -19.342 1.00 3.62 H new ATOM 0 HG22 THR A 82 -16.464 -14.470 -18.278 1.00 3.62 H new ATOM 0 HG23 THR A 82 -16.285 -12.729 -17.959 1.00 3.62 H new ATOM 1180 N ASN A 83 -12.854 -13.659 -15.080 1.00 1.89 N ATOM 1181 CA ASN A 83 -11.776 -13.704 -14.097 1.00 1.72 C ATOM 1182 C ASN A 83 -10.543 -12.935 -14.580 1.00 1.63 C ATOM 1183 O ASN A 83 -9.421 -13.410 -14.410 1.00 1.74 O ATOM 1184 CB ASN A 83 -11.373 -15.167 -13.812 1.00 1.74 C ATOM 1185 CG ASN A 83 -10.538 -15.277 -12.546 1.00 1.72 C ATOM 1186 OD1 ASN A 83 -9.391 -15.716 -12.581 1.00 2.28 O ATOM 1187 ND2 ASN A 83 -11.132 -14.931 -11.417 1.00 1.63 N ATOM 0 H ASN A 83 -12.617 -13.135 -15.923 1.00 1.89 H new ATOM 0 HA ASN A 83 -12.147 -13.234 -13.186 1.00 1.72 H new ATOM 0 HB2 ASN A 83 -12.269 -15.780 -13.713 1.00 1.74 H new ATOM 0 HB3 ASN A 83 -10.809 -15.562 -14.657 1.00 1.74 H new ATOM 0 HD21 ASN A 83 -10.636 -15.024 -10.530 1.00 1.63 H new ATOM 0 HD22 ASN A 83 -12.086 -14.571 -11.432 1.00 1.63 H new ATOM 1194 N GLN A 84 -10.698 -11.776 -15.227 1.00 1.61 N ATOM 1195 CA GLN A 84 -9.565 -11.116 -15.863 1.00 1.63 C ATOM 1196 C GLN A 84 -9.835 -9.630 -15.993 1.00 1.62 C ATOM 1197 O GLN A 84 -10.987 -9.217 -15.942 1.00 2.03 O ATOM 1198 CB GLN A 84 -9.321 -11.719 -17.252 1.00 1.88 C ATOM 1199 CG GLN A 84 -10.603 -11.729 -18.102 1.00 2.59 C ATOM 1200 CD GLN A 84 -10.315 -11.417 -19.560 1.00 3.41 C ATOM 1201 OE1 GLN A 84 -10.875 -10.486 -20.130 1.00 4.53 O ATOM 1202 NE2 GLN A 84 -9.463 -12.204 -20.202 1.00 3.80 N ATOM 0 H GLN A 84 -11.587 -11.284 -15.321 1.00 1.61 H new ATOM 0 HA GLN A 84 -8.679 -11.265 -15.246 1.00 1.63 H new ATOM 0 HB2 GLN A 84 -8.548 -11.147 -17.766 1.00 1.88 H new ATOM 0 HB3 GLN A 84 -8.947 -12.737 -17.146 1.00 1.88 H new ATOM 0 HG2 GLN A 84 -11.081 -12.706 -18.027 1.00 2.59 H new ATOM 0 HG3 GLN A 84 -11.307 -10.998 -17.706 1.00 2.59 H new ATOM 0 HE21 GLN A 84 -9.008 -12.973 -19.709 1.00 3.80 H new ATOM 0 HE22 GLN A 84 -9.262 -12.041 -21.189 1.00 3.80 H new ATOM 1211 N CYS A 85 -8.797 -8.835 -16.228 1.00 1.53 N ATOM 1212 CA CYS A 85 -9.008 -7.464 -16.650 1.00 1.58 C ATOM 1213 C CYS A 85 -9.076 -7.428 -18.168 1.00 1.42 C ATOM 1214 O CYS A 85 -8.383 -8.178 -18.851 1.00 1.91 O ATOM 1215 CB CYS A 85 -7.906 -6.524 -16.182 1.00 1.87 C ATOM 1216 SG CYS A 85 -7.685 -6.361 -14.406 1.00 2.59 S ATOM 0 H CYS A 85 -7.820 -9.113 -16.135 1.00 1.53 H new ATOM 0 HA CYS A 85 -9.939 -7.121 -16.198 1.00 1.58 H new ATOM 0 HB2 CYS A 85 -6.964 -6.863 -16.612 1.00 1.87 H new ATOM 0 HB3 CYS A 85 -8.106 -5.534 -16.592 1.00 1.87 H new ATOM 1221 N VAL A 86 -9.876 -6.508 -18.675 1.00 1.31 N ATOM 1222 CA VAL A 86 -10.121 -6.227 -20.073 1.00 1.19 C ATOM 1223 C VAL A 86 -8.798 -5.745 -20.672 1.00 1.36 C ATOM 1224 O VAL A 86 -7.999 -5.118 -19.964 1.00 1.74 O ATOM 1225 CB VAL A 86 -11.165 -5.090 -20.088 1.00 1.23 C ATOM 1226 CG1 VAL A 86 -11.244 -4.217 -21.337 1.00 1.22 C ATOM 1227 CG2 VAL A 86 -12.546 -5.517 -19.601 1.00 1.45 C ATOM 0 H VAL A 86 -10.414 -5.889 -18.068 1.00 1.31 H new ATOM 0 HA VAL A 86 -10.480 -7.086 -20.639 1.00 1.19 H new ATOM 0 HB VAL A 86 -10.739 -4.416 -19.345 1.00 1.23 H new ATOM 0 HG11 VAL A 86 -12.020 -3.463 -21.205 1.00 1.22 H new ATOM 0 HG12 VAL A 86 -10.284 -3.726 -21.499 1.00 1.22 H new ATOM 0 HG13 VAL A 86 -11.485 -4.838 -22.200 1.00 1.22 H new ATOM 0 HG21 VAL A 86 -13.225 -4.665 -19.640 1.00 1.45 H new ATOM 0 HG22 VAL A 86 -12.927 -6.314 -20.240 1.00 1.45 H new ATOM 0 HG23 VAL A 86 -12.475 -5.877 -18.575 1.00 1.45 H new ATOM 1237 N GLY A 87 -8.548 -5.962 -21.964 1.00 1.60 N ATOM 1238 CA GLY A 87 -7.419 -5.338 -22.653 1.00 2.12 C ATOM 1239 C GLY A 87 -7.731 -3.893 -22.995 1.00 3.02 C ATOM 1240 O GLY A 87 -7.616 -3.459 -24.140 1.00 4.09 O ATOM 0 H GLY A 87 -9.116 -6.568 -22.556 1.00 1.60 H new ATOM 0 HA2 GLY A 87 -6.531 -5.384 -22.022 1.00 2.12 H new ATOM 0 HA3 GLY A 87 -7.192 -5.892 -23.564 1.00 2.12 H new ATOM 1244 N GLY A 88 -8.087 -3.137 -21.966 1.00 3.53 N ATOM 1245 CA GLY A 88 -8.129 -1.702 -22.027 1.00 4.99 C ATOM 1246 C GLY A 88 -6.683 -1.239 -22.031 1.00 4.18 C ATOM 1247 O GLY A 88 -6.296 -0.411 -22.851 1.00 5.09 O ATOM 0 H GLY A 88 -8.356 -3.518 -21.059 1.00 3.53 H new ATOM 0 HA2 GLY A 88 -8.649 -1.365 -22.924 1.00 4.99 H new ATOM 0 HA3 GLY A 88 -8.668 -1.291 -21.173 1.00 4.99 H new ATOM 1251 N LYS A 89 -5.904 -1.802 -21.103 1.00 2.97 N ATOM 1252 CA LYS A 89 -4.570 -1.406 -20.703 1.00 2.51 C ATOM 1253 C LYS A 89 -3.916 -2.544 -19.929 1.00 2.11 C ATOM 1254 O LYS A 89 -4.548 -3.561 -19.642 1.00 2.65 O ATOM 1255 CB LYS A 89 -4.672 -0.188 -19.806 1.00 3.35 C ATOM 1256 CG LYS A 89 -4.971 1.023 -20.693 1.00 4.58 C ATOM 1257 CD LYS A 89 -3.993 2.122 -20.313 1.00 5.86 C ATOM 1258 CE LYS A 89 -4.521 3.522 -20.639 1.00 7.11 C ATOM 1259 NZ LYS A 89 -4.386 3.844 -22.074 1.00 7.15 N ATOM 0 H LYS A 89 -6.226 -2.613 -20.574 1.00 2.97 H new ATOM 0 HA LYS A 89 -3.971 -1.174 -21.584 1.00 2.51 H new ATOM 0 HB2 LYS A 89 -5.461 -0.324 -19.066 1.00 3.35 H new ATOM 0 HB3 LYS A 89 -3.742 -0.039 -19.257 1.00 3.35 H new ATOM 0 HG2 LYS A 89 -4.864 0.762 -21.746 1.00 4.58 H new ATOM 0 HG3 LYS A 89 -5.998 1.358 -20.550 1.00 4.58 H new ATOM 0 HD2 LYS A 89 -3.778 2.059 -19.246 1.00 5.86 H new ATOM 0 HD3 LYS A 89 -3.051 1.962 -20.838 1.00 5.86 H new ATOM 0 HE2 LYS A 89 -5.570 3.591 -20.349 1.00 7.11 H new ATOM 0 HE3 LYS A 89 -3.978 4.261 -20.049 1.00 7.11 H new ATOM 0 HZ1 LYS A 89 -4.755 4.800 -22.251 1.00 7.15 H new ATOM 0 HZ2 LYS A 89 -3.383 3.804 -22.346 1.00 7.15 H new ATOM 0 HZ3 LYS A 89 -4.925 3.155 -22.637 1.00 7.15 H new ATOM 1273 N LYS A 90 -2.693 -2.273 -19.476 1.00 2.18 N ATOM 1274 CA LYS A 90 -2.066 -2.988 -18.389 1.00 2.60 C ATOM 1275 C LYS A 90 -2.921 -2.704 -17.157 1.00 2.14 C ATOM 1276 O LYS A 90 -3.043 -1.554 -16.734 1.00 2.25 O ATOM 1277 CB LYS A 90 -0.659 -2.419 -18.169 1.00 3.38 C ATOM 1278 CG LYS A 90 0.316 -2.964 -19.210 1.00 4.16 C ATOM 1279 CD LYS A 90 1.563 -2.080 -19.328 1.00 4.64 C ATOM 1280 CE LYS A 90 2.637 -2.856 -20.102 1.00 6.34 C ATOM 1281 NZ LYS A 90 3.688 -1.986 -20.662 1.00 6.99 N ATOM 0 H LYS A 90 -2.108 -1.535 -19.868 1.00 2.18 H new ATOM 0 HA LYS A 90 -1.988 -4.056 -18.590 1.00 2.60 H new ATOM 0 HB2 LYS A 90 -0.689 -1.331 -18.227 1.00 3.38 H new ATOM 0 HB3 LYS A 90 -0.311 -2.676 -17.169 1.00 3.38 H new ATOM 0 HG2 LYS A 90 0.611 -3.977 -18.938 1.00 4.16 H new ATOM 0 HG3 LYS A 90 -0.181 -3.026 -20.178 1.00 4.16 H new ATOM 0 HD2 LYS A 90 1.321 -1.151 -19.844 1.00 4.64 H new ATOM 0 HD3 LYS A 90 1.931 -1.809 -18.338 1.00 4.64 H new ATOM 0 HE2 LYS A 90 3.096 -3.589 -19.439 1.00 6.34 H new ATOM 0 HE3 LYS A 90 2.163 -3.411 -20.912 1.00 6.34 H new ATOM 0 HZ1 LYS A 90 4.384 -2.566 -21.173 1.00 6.99 H new ATOM 0 HZ2 LYS A 90 3.260 -1.302 -21.318 1.00 6.99 H new ATOM 0 HZ3 LYS A 90 4.163 -1.475 -19.891 1.00 6.99 H new ATOM 1295 N CYS A 91 -3.524 -3.753 -16.603 1.00 1.95 N ATOM 1296 CA CYS A 91 -4.368 -3.676 -15.415 1.00 1.64 C ATOM 1297 C CYS A 91 -3.531 -4.126 -14.224 1.00 1.55 C ATOM 1298 O CYS A 91 -3.832 -5.131 -13.582 1.00 2.72 O ATOM 1299 CB CYS A 91 -5.553 -4.611 -15.595 1.00 1.81 C ATOM 1300 SG CYS A 91 -6.771 -4.493 -14.267 1.00 2.88 S ATOM 0 H CYS A 91 -3.437 -4.699 -16.975 1.00 1.95 H new ATOM 0 HA CYS A 91 -4.735 -2.662 -15.256 1.00 1.64 H new ATOM 0 HB2 CYS A 91 -6.040 -4.389 -16.545 1.00 1.81 H new ATOM 0 HB3 CYS A 91 -5.190 -5.637 -15.655 1.00 1.81 H new ATOM 1305 N ARG A 92 -2.382 -3.490 -14.015 1.00 0.87 N ATOM 1306 CA ARG A 92 -1.308 -4.017 -13.191 1.00 0.76 C ATOM 1307 C ARG A 92 -1.139 -3.188 -11.932 1.00 0.88 C ATOM 1308 O ARG A 92 -0.044 -2.713 -11.623 1.00 1.67 O ATOM 1309 CB ARG A 92 -0.028 -4.154 -14.033 1.00 0.93 C ATOM 1310 CG ARG A 92 0.101 -5.565 -14.612 1.00 1.85 C ATOM 1311 CD ARG A 92 0.230 -6.597 -13.478 1.00 1.40 C ATOM 1312 NE ARG A 92 0.986 -7.782 -13.909 1.00 2.06 N ATOM 1313 CZ ARG A 92 0.458 -8.954 -14.295 1.00 3.26 C ATOM 1314 NH1 ARG A 92 -0.847 -9.055 -14.546 1.00 4.34 N ATOM 1315 NH2 ARG A 92 1.234 -10.026 -14.406 1.00 3.73 N ATOM 0 H ARG A 92 -2.171 -2.579 -14.422 1.00 0.87 H new ATOM 0 HA ARG A 92 -1.558 -5.019 -12.843 1.00 0.76 H new ATOM 0 HB2 ARG A 92 -0.042 -3.425 -14.843 1.00 0.93 H new ATOM 0 HB3 ARG A 92 0.842 -3.929 -13.417 1.00 0.93 H new ATOM 0 HG2 ARG A 92 -0.770 -5.795 -15.225 1.00 1.85 H new ATOM 0 HG3 ARG A 92 0.973 -5.620 -15.264 1.00 1.85 H new ATOM 0 HD2 ARG A 92 0.727 -6.139 -12.623 1.00 1.40 H new ATOM 0 HD3 ARG A 92 -0.763 -6.899 -13.145 1.00 1.40 H new ATOM 0 HE ARG A 92 2.003 -7.707 -13.915 1.00 2.06 H new ATOM 0 HH11 ARG A 92 -1.450 -8.239 -14.445 1.00 4.34 H new ATOM 0 HH12 ARG A 92 -1.242 -9.948 -14.839 1.00 4.34 H new ATOM 0 HH21 ARG A 92 2.230 -9.958 -14.198 1.00 3.73 H new ATOM 0 HH22 ARG A 92 0.834 -10.917 -14.699 1.00 3.73 H new ATOM 1329 N HIS A 93 -2.223 -3.094 -11.168 1.00 0.77 N ATOM 1330 CA HIS A 93 -2.256 -2.526 -9.833 1.00 0.76 C ATOM 1331 C HIS A 93 -3.488 -3.060 -9.115 1.00 0.70 C ATOM 1332 O HIS A 93 -3.356 -3.673 -8.060 1.00 0.68 O ATOM 1333 CB HIS A 93 -2.272 -0.994 -9.893 1.00 0.93 C ATOM 1334 CG HIS A 93 -0.928 -0.293 -9.861 1.00 0.91 C ATOM 1335 ND1 HIS A 93 0.294 -0.808 -9.502 1.00 1.21 N flip ATOM 1336 CD2 HIS A 93 -0.738 1.024 -10.227 1.00 0.95 C flip ATOM 1337 CE1 HIS A 93 1.218 0.203 -9.665 1.00 1.40 C flip ATOM 1338 NE2 HIS A 93 0.572 1.302 -10.097 1.00 1.21 N flip ATOM 0 H HIS A 93 -3.136 -3.426 -11.478 1.00 0.77 H new ATOM 0 HA HIS A 93 -1.360 -2.815 -9.285 1.00 0.76 H new ATOM 0 HB2 HIS A 93 -2.789 -0.695 -10.805 1.00 0.93 H new ATOM 0 HB3 HIS A 93 -2.866 -0.628 -9.056 1.00 0.93 H new ATOM 0 HD1 HIS A 93 0.482 -1.756 -9.177 1.00 1.21 H new ATOM 0 HD2 HIS A 93 -1.504 1.709 -10.559 1.00 0.95 H new ATOM 0 HE1 HIS A 93 2.279 0.126 -9.478 1.00 1.40 H new ATOM 1347 N TYR A 94 -4.677 -2.863 -9.687 1.00 0.71 N ATOM 1348 CA TYR A 94 -5.912 -3.362 -9.092 1.00 0.66 C ATOM 1349 C TYR A 94 -5.789 -4.842 -8.741 1.00 0.62 C ATOM 1350 O TYR A 94 -6.128 -5.241 -7.634 1.00 0.55 O ATOM 1351 CB TYR A 94 -7.114 -3.136 -10.011 1.00 0.71 C ATOM 1352 CG TYR A 94 -8.408 -3.611 -9.385 1.00 0.82 C ATOM 1353 CD1 TYR A 94 -9.050 -2.790 -8.444 1.00 1.96 C ATOM 1354 CD2 TYR A 94 -8.873 -4.924 -9.596 1.00 1.47 C ATOM 1355 CE1 TYR A 94 -10.177 -3.253 -7.754 1.00 2.34 C ATOM 1356 CE2 TYR A 94 -9.993 -5.396 -8.889 1.00 1.54 C ATOM 1357 CZ TYR A 94 -10.651 -4.552 -7.978 1.00 1.61 C ATOM 1358 OH TYR A 94 -11.811 -4.932 -7.384 1.00 2.07 O ATOM 0 H TYR A 94 -4.808 -2.359 -10.564 1.00 0.71 H new ATOM 0 HA TYR A 94 -6.079 -2.797 -8.175 1.00 0.66 H new ATOM 0 HB2 TYR A 94 -7.194 -2.075 -10.247 1.00 0.71 H new ATOM 0 HB3 TYR A 94 -6.953 -3.661 -10.953 1.00 0.71 H new ATOM 0 HD1 TYR A 94 -8.673 -1.797 -8.251 1.00 1.96 H new ATOM 0 HD2 TYR A 94 -8.369 -5.568 -10.301 1.00 1.47 H new ATOM 0 HE1 TYR A 94 -10.681 -2.608 -7.049 1.00 2.34 H new ATOM 0 HE2 TYR A 94 -10.347 -6.404 -9.046 1.00 1.54 H new ATOM 0 HH TYR A 94 -12.568 -4.671 -7.948 1.00 2.07 H new ATOM 1368 N THR A 95 -5.275 -5.646 -9.670 1.00 0.68 N ATOM 1369 CA THR A 95 -4.970 -7.047 -9.439 1.00 0.62 C ATOM 1370 C THR A 95 -4.257 -7.222 -8.100 1.00 0.54 C ATOM 1371 O THR A 95 -4.685 -8.005 -7.263 1.00 0.60 O ATOM 1372 CB THR A 95 -4.061 -7.520 -10.584 1.00 0.67 C ATOM 1373 OG1 THR A 95 -3.082 -6.525 -10.852 1.00 0.80 O ATOM 1374 CG2 THR A 95 -4.861 -7.751 -11.866 1.00 0.79 C ATOM 0 H THR A 95 -5.058 -5.333 -10.616 1.00 0.68 H new ATOM 0 HA THR A 95 -5.888 -7.634 -9.409 1.00 0.62 H new ATOM 0 HB THR A 95 -3.595 -8.456 -10.276 1.00 0.67 H new ATOM 0 HG1 THR A 95 -2.190 -6.882 -10.658 1.00 0.80 H new ATOM 0 HG21 THR A 95 -4.191 -8.085 -12.658 1.00 0.79 H new ATOM 0 HG22 THR A 95 -5.621 -8.512 -11.689 1.00 0.79 H new ATOM 0 HG23 THR A 95 -5.343 -6.821 -12.167 1.00 0.79 H new ATOM 1382 N GLN A 96 -3.160 -6.494 -7.906 1.00 0.54 N ATOM 1383 CA GLN A 96 -2.340 -6.584 -6.713 1.00 0.53 C ATOM 1384 C GLN A 96 -3.121 -6.131 -5.474 1.00 0.45 C ATOM 1385 O GLN A 96 -2.975 -6.740 -4.417 1.00 0.57 O ATOM 1386 CB GLN A 96 -1.055 -5.775 -6.935 1.00 0.77 C ATOM 1387 CG GLN A 96 -0.110 -5.761 -5.730 1.00 1.00 C ATOM 1388 CD GLN A 96 0.398 -7.147 -5.370 1.00 1.05 C ATOM 1389 OE1 GLN A 96 1.450 -7.566 -5.841 1.00 2.06 O ATOM 1390 NE2 GLN A 96 -0.349 -7.879 -4.553 1.00 0.82 N ATOM 0 H GLN A 96 -2.816 -5.817 -8.586 1.00 0.54 H new ATOM 0 HA GLN A 96 -2.062 -7.621 -6.527 1.00 0.53 H new ATOM 0 HB2 GLN A 96 -0.524 -6.184 -7.795 1.00 0.77 H new ATOM 0 HB3 GLN A 96 -1.323 -4.749 -7.185 1.00 0.77 H new ATOM 0 HG2 GLN A 96 0.739 -5.112 -5.946 1.00 1.00 H new ATOM 0 HG3 GLN A 96 -0.628 -5.334 -4.872 1.00 1.00 H new ATOM 0 HE21 GLN A 96 -1.219 -7.499 -4.179 1.00 0.82 H new ATOM 0 HE22 GLN A 96 -0.053 -8.822 -4.299 1.00 0.82 H new ATOM 1399 N VAL A 97 -3.919 -5.069 -5.594 1.00 0.41 N ATOM 1400 CA VAL A 97 -4.750 -4.571 -4.501 1.00 0.37 C ATOM 1401 C VAL A 97 -5.752 -5.653 -4.079 1.00 0.38 C ATOM 1402 O VAL A 97 -5.974 -5.887 -2.895 1.00 0.51 O ATOM 1403 CB VAL A 97 -5.450 -3.265 -4.932 1.00 0.36 C ATOM 1404 CG1 VAL A 97 -6.482 -2.779 -3.908 1.00 0.38 C ATOM 1405 CG2 VAL A 97 -4.425 -2.142 -5.132 1.00 0.45 C ATOM 0 H VAL A 97 -4.006 -4.530 -6.455 1.00 0.41 H new ATOM 0 HA VAL A 97 -4.130 -4.341 -3.634 1.00 0.37 H new ATOM 0 HB VAL A 97 -5.963 -3.497 -5.865 1.00 0.36 H new ATOM 0 HG11 VAL A 97 -6.942 -1.857 -4.264 1.00 0.38 H new ATOM 0 HG12 VAL A 97 -7.250 -3.541 -3.776 1.00 0.38 H new ATOM 0 HG13 VAL A 97 -5.988 -2.593 -2.954 1.00 0.38 H new ATOM 0 HG21 VAL A 97 -4.939 -1.230 -5.436 1.00 0.45 H new ATOM 0 HG22 VAL A 97 -3.893 -1.965 -4.198 1.00 0.45 H new ATOM 0 HG23 VAL A 97 -3.714 -2.432 -5.905 1.00 0.45 H new ATOM 1415 N VAL A 98 -6.344 -6.338 -5.053 1.00 0.32 N ATOM 1416 CA VAL A 98 -7.391 -7.314 -4.829 1.00 0.38 C ATOM 1417 C VAL A 98 -6.841 -8.691 -4.455 1.00 0.47 C ATOM 1418 O VAL A 98 -7.499 -9.443 -3.738 1.00 0.80 O ATOM 1419 CB VAL A 98 -8.368 -7.287 -6.031 1.00 0.44 C ATOM 1420 CG1 VAL A 98 -8.366 -8.551 -6.891 1.00 0.57 C ATOM 1421 CG2 VAL A 98 -9.788 -7.090 -5.518 1.00 0.50 C ATOM 0 H VAL A 98 -6.100 -6.224 -6.037 1.00 0.32 H new ATOM 0 HA VAL A 98 -7.972 -7.045 -3.947 1.00 0.38 H new ATOM 0 HB VAL A 98 -8.023 -6.468 -6.662 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -9.081 -8.438 -7.706 1.00 0.57 H new ATOM 0 HG12 VAL A 98 -7.369 -8.710 -7.302 1.00 0.57 H new ATOM 0 HG13 VAL A 98 -8.647 -9.408 -6.279 1.00 0.57 H new ATOM 0 HG21 VAL A 98 -10.480 -7.070 -6.360 1.00 0.50 H new ATOM 0 HG22 VAL A 98 -10.051 -7.911 -4.851 1.00 0.50 H new ATOM 0 HG23 VAL A 98 -9.851 -6.147 -4.975 1.00 0.50 H new ATOM 1431 N TRP A 99 -5.628 -8.990 -4.909 1.00 0.41 N ATOM 1432 CA TRP A 99 -5.026 -10.310 -5.026 1.00 0.43 C ATOM 1433 C TRP A 99 -5.458 -11.263 -3.911 1.00 0.42 C ATOM 1434 O TRP A 99 -4.877 -11.228 -2.828 1.00 0.46 O ATOM 1435 CB TRP A 99 -3.499 -10.167 -5.099 1.00 0.48 C ATOM 1436 CG TRP A 99 -2.792 -11.353 -5.650 1.00 0.56 C ATOM 1437 CD1 TRP A 99 -2.168 -12.317 -4.939 1.00 0.66 C ATOM 1438 CD2 TRP A 99 -2.594 -11.682 -7.049 1.00 0.63 C ATOM 1439 NE1 TRP A 99 -1.580 -13.210 -5.804 1.00 0.75 N ATOM 1440 CE2 TRP A 99 -1.825 -12.875 -7.121 1.00 0.73 C ATOM 1441 CE3 TRP A 99 -2.932 -11.053 -8.265 1.00 0.68 C ATOM 1442 CZ2 TRP A 99 -1.402 -13.403 -8.343 1.00 0.84 C ATOM 1443 CZ3 TRP A 99 -2.583 -11.624 -9.501 1.00 0.82 C ATOM 1444 CH2 TRP A 99 -1.825 -12.804 -9.542 1.00 0.90 C ATOM 0 H TRP A 99 -4.993 -8.258 -5.229 1.00 0.41 H new ATOM 0 HA TRP A 99 -5.387 -10.766 -5.948 1.00 0.43 H new ATOM 0 HB2 TRP A 99 -3.257 -9.299 -5.712 1.00 0.48 H new ATOM 0 HB3 TRP A 99 -3.118 -9.966 -4.098 1.00 0.48 H new ATOM 0 HD1 TRP A 99 -2.136 -12.377 -3.861 1.00 0.66 H new ATOM 0 HE1 TRP A 99 -1.032 -14.018 -5.510 1.00 0.75 H new ATOM 0 HE3 TRP A 99 -3.469 -10.116 -8.246 1.00 0.68 H new ATOM 0 HZ2 TRP A 99 -0.754 -14.266 -8.366 1.00 0.84 H new ATOM 0 HZ3 TRP A 99 -2.899 -11.154 -10.421 1.00 0.82 H new ATOM 0 HH2 TRP A 99 -1.568 -13.250 -10.491 1.00 0.90 H new ATOM 1455 N ARG A 100 -6.479 -12.090 -4.147 1.00 0.50 N ATOM 1456 CA ARG A 100 -7.119 -12.990 -3.194 1.00 0.54 C ATOM 1457 C ARG A 100 -6.071 -13.658 -2.320 1.00 0.53 C ATOM 1458 O ARG A 100 -6.155 -13.614 -1.096 1.00 0.64 O ATOM 1459 CB ARG A 100 -7.986 -14.023 -3.942 1.00 0.61 C ATOM 1460 CG ARG A 100 -8.638 -15.046 -2.993 1.00 0.81 C ATOM 1461 CD ARG A 100 -9.283 -16.217 -3.745 1.00 1.40 C ATOM 1462 NE ARG A 100 -10.447 -15.819 -4.560 1.00 2.63 N ATOM 1463 CZ ARG A 100 -11.707 -16.266 -4.415 1.00 3.76 C ATOM 1464 NH1 ARG A 100 -12.090 -16.868 -3.288 1.00 4.16 N ATOM 1465 NH2 ARG A 100 -12.564 -16.114 -5.417 1.00 5.19 N ATOM 0 H ARG A 100 -6.906 -12.150 -5.071 1.00 0.50 H new ATOM 0 HA ARG A 100 -7.777 -12.418 -2.540 1.00 0.54 H new ATOM 0 HB2 ARG A 100 -8.765 -13.503 -4.500 1.00 0.61 H new ATOM 0 HB3 ARG A 100 -7.370 -14.550 -4.671 1.00 0.61 H new ATOM 0 HG2 ARG A 100 -7.885 -15.431 -2.306 1.00 0.81 H new ATOM 0 HG3 ARG A 100 -9.395 -14.545 -2.389 1.00 0.81 H new ATOM 0 HD2 ARG A 100 -8.537 -16.679 -4.391 1.00 1.40 H new ATOM 0 HD3 ARG A 100 -9.594 -16.974 -3.025 1.00 1.40 H new ATOM 0 HE ARG A 100 -10.280 -15.141 -5.303 1.00 2.63 H new ATOM 0 HH11 ARG A 100 -11.425 -16.993 -2.525 1.00 4.16 H new ATOM 0 HH12 ARG A 100 -13.048 -17.203 -3.189 1.00 4.16 H new ATOM 0 HH21 ARG A 100 -12.263 -15.664 -6.281 1.00 5.19 H new ATOM 0 HH22 ARG A 100 -13.523 -16.448 -5.323 1.00 5.19 H new ATOM 1479 N ASN A 101 -5.080 -14.271 -2.960 1.00 0.54 N ATOM 1480 CA ASN A 101 -4.132 -15.095 -2.234 1.00 0.58 C ATOM 1481 C ASN A 101 -3.300 -14.293 -1.234 1.00 0.59 C ATOM 1482 O ASN A 101 -2.811 -14.876 -0.273 1.00 1.22 O ATOM 1483 CB ASN A 101 -3.245 -15.891 -3.193 1.00 0.76 C ATOM 1484 CG ASN A 101 -2.983 -17.292 -2.648 1.00 1.26 C ATOM 1485 OD1 ASN A 101 -3.252 -18.270 -3.337 1.00 1.75 O ATOM 1486 ND2 ASN A 101 -2.525 -17.420 -1.413 1.00 2.18 N ATOM 0 H ASN A 101 -4.917 -14.212 -3.965 1.00 0.54 H new ATOM 0 HA ASN A 101 -4.716 -15.805 -1.648 1.00 0.58 H new ATOM 0 HB2 ASN A 101 -3.726 -15.959 -4.169 1.00 0.76 H new ATOM 0 HB3 ASN A 101 -2.299 -15.369 -3.339 1.00 0.76 H new ATOM 0 HD21 ASN A 101 -2.388 -18.348 -1.013 1.00 2.18 H new ATOM 0 HD22 ASN A 101 -2.309 -16.590 -0.861 1.00 2.18 H new ATOM 1493 N SER A 102 -3.140 -12.980 -1.430 1.00 0.54 N ATOM 1494 CA SER A 102 -2.405 -12.152 -0.487 1.00 0.55 C ATOM 1495 C SER A 102 -3.375 -11.778 0.619 1.00 0.62 C ATOM 1496 O SER A 102 -4.290 -10.983 0.415 1.00 0.92 O ATOM 1497 CB SER A 102 -1.806 -10.900 -1.147 1.00 0.68 C ATOM 1498 OG SER A 102 -0.843 -10.291 -0.299 1.00 1.97 O ATOM 0 H SER A 102 -3.512 -12.475 -2.234 1.00 0.54 H new ATOM 0 HA SER A 102 -1.554 -12.707 -0.093 1.00 0.55 H new ATOM 0 HB2 SER A 102 -1.342 -11.171 -2.095 1.00 0.68 H new ATOM 0 HB3 SER A 102 -2.600 -10.188 -1.373 1.00 0.68 H new ATOM 0 HG SER A 102 -1.294 -9.688 0.328 1.00 1.97 H new ATOM 1504 N VAL A 103 -3.160 -12.327 1.803 1.00 0.59 N ATOM 1505 CA VAL A 103 -3.878 -11.913 2.996 1.00 0.57 C ATOM 1506 C VAL A 103 -3.057 -10.843 3.724 1.00 0.71 C ATOM 1507 O VAL A 103 -3.514 -10.291 4.724 1.00 0.84 O ATOM 1508 CB VAL A 103 -4.160 -13.146 3.874 1.00 0.62 C ATOM 1509 CG1 VAL A 103 -5.210 -14.041 3.205 1.00 0.75 C ATOM 1510 CG2 VAL A 103 -2.902 -13.975 4.173 1.00 0.69 C ATOM 0 H VAL A 103 -2.483 -13.072 1.964 1.00 0.59 H new ATOM 0 HA VAL A 103 -4.842 -11.472 2.741 1.00 0.57 H new ATOM 0 HB VAL A 103 -4.532 -12.768 4.826 1.00 0.62 H new ATOM 0 HG11 VAL A 103 -5.402 -14.910 3.835 1.00 0.75 H new ATOM 0 HG12 VAL A 103 -6.134 -13.479 3.070 1.00 0.75 H new ATOM 0 HG13 VAL A 103 -4.841 -14.371 2.234 1.00 0.75 H new ATOM 0 HG21 VAL A 103 -3.169 -14.829 4.796 1.00 0.69 H new ATOM 0 HG22 VAL A 103 -2.469 -14.329 3.238 1.00 0.69 H new ATOM 0 HG23 VAL A 103 -2.175 -13.356 4.698 1.00 0.69 H new ATOM 1520 N ARG A 104 -1.855 -10.553 3.220 1.00 0.92 N ATOM 1521 CA ARG A 104 -0.893 -9.667 3.844 1.00 1.02 C ATOM 1522 C ARG A 104 -0.810 -8.371 3.053 1.00 0.94 C ATOM 1523 O ARG A 104 -0.954 -8.393 1.824 1.00 1.02 O ATOM 1524 CB ARG A 104 0.460 -10.388 3.909 1.00 1.23 C ATOM 1525 CG ARG A 104 0.267 -11.754 4.580 1.00 1.34 C ATOM 1526 CD ARG A 104 1.357 -12.156 5.582 1.00 1.76 C ATOM 1527 NE ARG A 104 0.850 -13.201 6.483 1.00 2.07 N ATOM 1528 CZ ARG A 104 -0.221 -13.052 7.276 1.00 3.21 C ATOM 1529 NH1 ARG A 104 -0.674 -11.839 7.596 1.00 3.95 N ATOM 1530 NH2 ARG A 104 -0.864 -14.139 7.686 1.00 4.62 N ATOM 0 H ARG A 104 -1.523 -10.945 2.339 1.00 0.92 H new ATOM 0 HA ARG A 104 -1.197 -9.411 4.859 1.00 1.02 H new ATOM 0 HB2 ARG A 104 0.867 -10.516 2.906 1.00 1.23 H new ATOM 0 HB3 ARG A 104 1.178 -9.791 4.471 1.00 1.23 H new ATOM 0 HG2 ARG A 104 -0.694 -11.754 5.095 1.00 1.34 H new ATOM 0 HG3 ARG A 104 0.212 -12.517 3.803 1.00 1.34 H new ATOM 0 HD2 ARG A 104 2.236 -12.518 5.050 1.00 1.76 H new ATOM 0 HD3 ARG A 104 1.670 -11.286 6.160 1.00 1.76 H new ATOM 0 HE ARG A 104 1.343 -14.094 6.506 1.00 2.07 H new ATOM 0 HH11 ARG A 104 -0.204 -11.008 7.236 1.00 3.95 H new ATOM 0 HH12 ARG A 104 -1.490 -11.742 8.200 1.00 3.95 H new ATOM 0 HH21 ARG A 104 -0.541 -15.062 7.397 1.00 4.62 H new ATOM 0 HH22 ARG A 104 -1.681 -14.051 8.290 1.00 4.62 H new ATOM 1544 N LEU A 105 -0.622 -7.258 3.755 1.00 0.89 N ATOM 1545 CA LEU A 105 -0.420 -5.945 3.188 1.00 0.79 C ATOM 1546 C LEU A 105 0.320 -5.124 4.233 1.00 0.75 C ATOM 1547 O LEU A 105 -0.304 -4.572 5.135 1.00 1.21 O ATOM 1548 CB LEU A 105 -1.779 -5.315 2.851 1.00 0.77 C ATOM 1549 CG LEU A 105 -1.688 -3.848 2.393 1.00 0.68 C ATOM 1550 CD1 LEU A 105 -1.143 -3.765 0.967 1.00 1.96 C ATOM 1551 CD2 LEU A 105 -3.074 -3.205 2.438 1.00 1.90 C ATOM 0 H LEU A 105 -0.607 -7.255 4.775 1.00 0.89 H new ATOM 0 HA LEU A 105 0.158 -5.989 2.265 1.00 0.79 H new ATOM 0 HB2 LEU A 105 -2.256 -5.902 2.066 1.00 0.77 H new ATOM 0 HB3 LEU A 105 -2.423 -5.373 3.728 1.00 0.77 H new ATOM 0 HG LEU A 105 -1.012 -3.318 3.065 1.00 0.68 H new ATOM 0 HD11 LEU A 105 -1.085 -2.721 0.660 1.00 1.96 H new ATOM 0 HD12 LEU A 105 -0.148 -4.209 0.931 1.00 1.96 H new ATOM 0 HD13 LEU A 105 -1.806 -4.306 0.292 1.00 1.96 H new ATOM 0 HD21 LEU A 105 -3.004 -2.167 2.113 1.00 1.90 H new ATOM 0 HD22 LEU A 105 -3.749 -3.748 1.776 1.00 1.90 H new ATOM 0 HD23 LEU A 105 -3.459 -3.241 3.457 1.00 1.90 H new ATOM 1563 N GLY A 106 1.632 -4.981 4.083 1.00 0.83 N ATOM 1564 CA GLY A 106 2.396 -4.111 4.949 1.00 0.86 C ATOM 1565 C GLY A 106 2.880 -2.937 4.126 1.00 0.70 C ATOM 1566 O GLY A 106 3.643 -3.131 3.176 1.00 0.72 O ATOM 0 H GLY A 106 2.182 -5.458 3.369 1.00 0.83 H new ATOM 0 HA2 GLY A 106 1.781 -3.766 5.780 1.00 0.86 H new ATOM 0 HA3 GLY A 106 3.241 -4.649 5.379 1.00 0.86 H new ATOM 1570 N CYS A 107 2.436 -1.727 4.471 1.00 0.65 N ATOM 1571 CA CYS A 107 2.790 -0.526 3.731 1.00 0.57 C ATOM 1572 C CYS A 107 3.579 0.449 4.577 1.00 0.53 C ATOM 1573 O CYS A 107 3.620 0.342 5.804 1.00 0.69 O ATOM 1574 CB CYS A 107 1.547 0.164 3.184 1.00 0.71 C ATOM 1575 SG CYS A 107 0.478 -0.890 2.196 1.00 1.23 S ATOM 0 H CYS A 107 1.824 -1.558 5.269 1.00 0.65 H new ATOM 0 HA CYS A 107 3.420 -0.844 2.901 1.00 0.57 H new ATOM 0 HB2 CYS A 107 0.971 0.562 4.020 1.00 0.71 H new ATOM 0 HB3 CYS A 107 1.857 1.015 2.577 1.00 0.71 H new ATOM 1580 N GLY A 108 4.198 1.412 3.901 1.00 0.48 N ATOM 1581 CA GLY A 108 4.990 2.468 4.488 1.00 0.60 C ATOM 1582 C GLY A 108 4.906 3.713 3.617 1.00 0.66 C ATOM 1583 O GLY A 108 4.556 3.607 2.439 1.00 1.36 O ATOM 0 H GLY A 108 4.154 1.473 2.884 1.00 0.48 H new ATOM 0 HA2 GLY A 108 4.631 2.690 5.493 1.00 0.60 H new ATOM 0 HA3 GLY A 108 6.028 2.148 4.584 1.00 0.60 H new ATOM 1587 N ARG A 109 5.208 4.878 4.193 1.00 0.72 N ATOM 1588 CA ARG A 109 5.311 6.162 3.516 1.00 0.57 C ATOM 1589 C ARG A 109 6.631 6.786 3.968 1.00 0.61 C ATOM 1590 O ARG A 109 6.952 6.731 5.159 1.00 0.97 O ATOM 1591 CB ARG A 109 4.090 7.034 3.873 1.00 0.77 C ATOM 1592 CG ARG A 109 4.046 8.405 3.166 1.00 0.71 C ATOM 1593 CD ARG A 109 2.655 9.042 3.355 1.00 1.16 C ATOM 1594 NE ARG A 109 2.529 10.378 2.731 1.00 1.82 N ATOM 1595 CZ ARG A 109 1.597 11.296 3.064 1.00 2.70 C ATOM 1596 NH1 ARG A 109 0.600 10.962 3.885 1.00 3.48 N ATOM 1597 NH2 ARG A 109 1.672 12.541 2.581 1.00 3.63 N ATOM 0 H ARG A 109 5.396 4.950 5.193 1.00 0.72 H new ATOM 0 HA ARG A 109 5.310 6.062 2.431 1.00 0.57 H new ATOM 0 HB2 ARG A 109 3.183 6.483 3.625 1.00 0.77 H new ATOM 0 HB3 ARG A 109 4.079 7.196 4.951 1.00 0.77 H new ATOM 0 HG2 ARG A 109 4.815 9.060 3.574 1.00 0.71 H new ATOM 0 HG3 ARG A 109 4.260 8.285 2.104 1.00 0.71 H new ATOM 0 HD2 ARG A 109 1.900 8.379 2.932 1.00 1.16 H new ATOM 0 HD3 ARG A 109 2.444 9.126 4.421 1.00 1.16 H new ATOM 0 HE ARG A 109 3.194 10.623 1.997 1.00 1.82 H new ATOM 0 HH11 ARG A 109 0.543 10.015 4.260 1.00 3.48 H new ATOM 0 HH12 ARG A 109 -0.106 11.654 4.138 1.00 3.48 H new ATOM 0 HH21 ARG A 109 2.436 12.801 1.958 1.00 3.63 H new ATOM 0 HH22 ARG A 109 0.965 13.230 2.836 1.00 3.63 H new ATOM 1611 N ALA A 110 7.405 7.355 3.047 1.00 0.53 N ATOM 1612 CA ALA A 110 8.646 8.060 3.342 1.00 0.57 C ATOM 1613 C ALA A 110 8.799 9.187 2.331 1.00 0.47 C ATOM 1614 O ALA A 110 8.491 8.997 1.152 1.00 0.54 O ATOM 1615 CB ALA A 110 9.842 7.112 3.261 1.00 0.74 C ATOM 0 H ALA A 110 7.180 7.337 2.052 1.00 0.53 H new ATOM 0 HA ALA A 110 8.611 8.460 4.355 1.00 0.57 H new ATOM 0 HB1 ALA A 110 10.757 7.661 3.485 1.00 0.74 H new ATOM 0 HB2 ALA A 110 9.717 6.305 3.983 1.00 0.74 H new ATOM 0 HB3 ALA A 110 9.907 6.693 2.257 1.00 0.74 H new ATOM 1621 N ARG A 111 9.247 10.365 2.770 1.00 0.53 N ATOM 1622 CA ARG A 111 9.501 11.441 1.835 1.00 0.51 C ATOM 1623 C ARG A 111 10.847 11.192 1.151 1.00 0.61 C ATOM 1624 O ARG A 111 11.900 11.487 1.724 1.00 0.80 O ATOM 1625 CB ARG A 111 9.420 12.826 2.489 1.00 0.63 C ATOM 1626 CG ARG A 111 8.830 13.806 1.464 1.00 0.87 C ATOM 1627 CD ARG A 111 8.985 15.252 1.931 1.00 1.16 C ATOM 1628 NE ARG A 111 10.367 15.718 1.735 1.00 2.02 N ATOM 1629 CZ ARG A 111 10.888 16.223 0.606 1.00 3.15 C ATOM 1630 NH1 ARG A 111 10.106 16.447 -0.448 1.00 3.91 N ATOM 1631 NH2 ARG A 111 12.192 16.482 0.559 1.00 4.40 N ATOM 0 H ARG A 111 9.435 10.587 3.748 1.00 0.53 H new ATOM 0 HA ARG A 111 8.715 11.444 1.080 1.00 0.51 H new ATOM 0 HB2 ARG A 111 8.796 12.789 3.382 1.00 0.63 H new ATOM 0 HB3 ARG A 111 10.410 13.156 2.805 1.00 0.63 H new ATOM 0 HG2 ARG A 111 9.328 13.676 0.503 1.00 0.87 H new ATOM 0 HG3 ARG A 111 7.775 13.582 1.308 1.00 0.87 H new ATOM 0 HD2 ARG A 111 8.298 15.893 1.378 1.00 1.16 H new ATOM 0 HD3 ARG A 111 8.716 15.330 2.984 1.00 1.16 H new ATOM 0 HE ARG A 111 10.992 15.650 2.538 1.00 2.02 H new ATOM 0 HH11 ARG A 111 9.110 16.235 -0.398 1.00 3.91 H new ATOM 0 HH12 ARG A 111 10.503 16.831 -1.305 1.00 3.91 H new ATOM 0 HH21 ARG A 111 12.778 16.297 1.373 1.00 4.40 H new ATOM 0 HH22 ARG A 111 12.605 16.866 -0.291 1.00 4.40 H new ATOM 1645 N CYS A 112 10.842 10.636 -0.057 1.00 1.03 N ATOM 1646 CA CYS A 112 12.042 10.636 -0.878 1.00 1.08 C ATOM 1647 C CYS A 112 12.489 12.011 -1.338 1.00 1.12 C ATOM 1648 O CYS A 112 11.714 12.961 -1.381 1.00 1.27 O ATOM 1649 CB CYS A 112 12.011 9.703 -2.078 1.00 1.50 C ATOM 1650 SG CYS A 112 11.472 7.995 -1.983 1.00 2.02 S ATOM 0 H CYS A 112 10.031 10.186 -0.482 1.00 1.03 H new ATOM 0 HA CYS A 112 12.777 10.246 -0.174 1.00 1.08 H new ATOM 0 HB2 CYS A 112 11.380 10.184 -2.826 1.00 1.50 H new ATOM 0 HB3 CYS A 112 13.024 9.684 -2.480 1.00 1.50 H new ATOM 1655 N ASN A 113 13.762 12.080 -1.731 1.00 1.26 N ATOM 1656 CA ASN A 113 14.396 13.285 -2.244 1.00 1.61 C ATOM 1657 C ASN A 113 13.768 13.647 -3.588 1.00 1.90 C ATOM 1658 O ASN A 113 13.255 14.752 -3.757 1.00 2.33 O ATOM 1659 CB ASN A 113 15.914 13.070 -2.364 1.00 1.76 C ATOM 1660 CG ASN A 113 16.553 12.877 -0.990 1.00 2.49 C ATOM 1661 OD1 ASN A 113 16.325 11.863 -0.328 1.00 3.71 O ATOM 1662 ND2 ASN A 113 17.305 13.848 -0.503 1.00 2.99 N ATOM 0 H ASN A 113 14.391 11.278 -1.699 1.00 1.26 H new ATOM 0 HA ASN A 113 14.237 14.115 -1.556 1.00 1.61 H new ATOM 0 HB2 ASN A 113 16.113 12.198 -2.987 1.00 1.76 H new ATOM 0 HB3 ASN A 113 16.367 13.927 -2.862 1.00 1.76 H new ATOM 0 HD21 ASN A 113 17.705 13.764 0.432 1.00 2.99 H new ATOM 0 HD22 ASN A 113 17.486 14.682 -1.062 1.00 2.99 H new ATOM 1669 N ASN A 114 13.776 12.705 -4.539 1.00 2.00 N ATOM 1670 CA ASN A 114 13.197 12.900 -5.875 1.00 2.46 C ATOM 1671 C ASN A 114 11.858 12.200 -6.058 1.00 3.37 C ATOM 1672 O ASN A 114 11.298 12.223 -7.151 1.00 3.99 O ATOM 1673 CB ASN A 114 14.126 12.399 -6.982 1.00 2.48 C ATOM 1674 CG ASN A 114 14.282 10.882 -6.978 1.00 3.18 C ATOM 1675 OD1 ASN A 114 13.426 10.160 -7.477 1.00 3.60 O ATOM 1676 ND2 ASN A 114 15.348 10.364 -6.382 1.00 4.18 N ATOM 0 H ASN A 114 14.186 11.781 -4.403 1.00 2.00 H new ATOM 0 HA ASN A 114 13.054 13.978 -5.952 1.00 2.46 H new ATOM 0 HB2 ASN A 114 13.737 12.718 -7.949 1.00 2.48 H new ATOM 0 HB3 ASN A 114 15.106 12.861 -6.865 1.00 2.48 H new ATOM 0 HD21 ASN A 114 15.464 9.352 -6.334 1.00 4.18 H new ATOM 0 HD22 ASN A 114 16.052 10.978 -5.972 1.00 4.18 H new ATOM 1683 N GLY A 115 11.356 11.527 -5.028 1.00 3.65 N ATOM 1684 CA GLY A 115 10.082 10.827 -5.108 1.00 4.70 C ATOM 1685 C GLY A 115 9.025 11.469 -4.234 1.00 3.45 C ATOM 1686 O GLY A 115 7.924 10.932 -4.135 1.00 4.16 O ATOM 0 H GLY A 115 11.818 11.452 -4.122 1.00 3.65 H new ATOM 0 HA2 GLY A 115 9.739 10.816 -6.143 1.00 4.70 H new ATOM 0 HA3 GLY A 115 10.220 9.789 -4.807 1.00 4.70 H new ATOM 1690 N TRP A 116 9.354 12.610 -3.624 1.00 1.79 N ATOM 1691 CA TRP A 116 8.456 13.348 -2.774 1.00 1.11 C ATOM 1692 C TRP A 116 7.780 12.380 -1.809 1.00 0.80 C ATOM 1693 O TRP A 116 8.501 11.639 -1.146 1.00 1.05 O ATOM 1694 CB TRP A 116 7.577 14.152 -3.704 1.00 1.37 C ATOM 1695 CG TRP A 116 8.354 15.107 -4.552 1.00 1.73 C ATOM 1696 CD1 TRP A 116 8.791 16.305 -4.112 1.00 2.33 C ATOM 1697 CD2 TRP A 116 8.868 14.965 -5.920 1.00 1.90 C ATOM 1698 NE1 TRP A 116 9.548 16.905 -5.086 1.00 2.84 N ATOM 1699 CE2 TRP A 116 9.595 16.153 -6.234 1.00 2.58 C ATOM 1700 CE3 TRP A 116 8.833 13.964 -6.923 1.00 1.84 C ATOM 1701 CZ2 TRP A 116 10.205 16.363 -7.475 1.00 3.01 C ATOM 1702 CZ3 TRP A 116 9.356 14.212 -8.204 1.00 2.29 C ATOM 1703 CH2 TRP A 116 10.073 15.388 -8.470 1.00 2.81 C ATOM 0 H TRP A 116 10.273 13.044 -3.718 1.00 1.79 H new ATOM 0 HA TRP A 116 8.926 14.068 -2.104 1.00 1.11 H new ATOM 0 HB2 TRP A 116 7.019 13.472 -4.348 1.00 1.37 H new ATOM 0 HB3 TRP A 116 6.846 14.707 -3.116 1.00 1.37 H new ATOM 0 HD1 TRP A 116 8.577 16.727 -3.141 1.00 2.33 H new ATOM 0 HE1 TRP A 116 10.019 17.802 -4.971 1.00 2.84 H new ATOM 0 HE3 TRP A 116 8.400 13.000 -6.701 1.00 1.84 H new ATOM 0 HZ2 TRP A 116 10.770 17.264 -7.663 1.00 3.01 H new ATOM 0 HZ3 TRP A 116 9.204 13.489 -8.992 1.00 2.29 H new ATOM 0 HH2 TRP A 116 10.522 15.541 -9.440 1.00 2.81 H new ATOM 1714 N TRP A 117 6.452 12.286 -1.776 1.00 0.63 N ATOM 1715 CA TRP A 117 5.832 11.294 -0.916 1.00 0.67 C ATOM 1716 C TRP A 117 5.837 9.984 -1.674 1.00 0.69 C ATOM 1717 O TRP A 117 5.012 9.773 -2.560 1.00 1.01 O ATOM 1718 CB TRP A 117 4.413 11.707 -0.519 1.00 0.81 C ATOM 1719 CG TRP A 117 4.376 12.808 0.490 1.00 0.94 C ATOM 1720 CD1 TRP A 117 3.817 14.021 0.306 1.00 1.21 C ATOM 1721 CD2 TRP A 117 4.999 12.849 1.810 1.00 0.93 C ATOM 1722 NE1 TRP A 117 4.052 14.807 1.412 1.00 1.30 N ATOM 1723 CE2 TRP A 117 4.806 14.149 2.358 1.00 1.16 C ATOM 1724 CE3 TRP A 117 5.720 11.921 2.593 1.00 0.89 C ATOM 1725 CZ2 TRP A 117 5.330 14.526 3.600 1.00 1.33 C ATOM 1726 CZ3 TRP A 117 6.235 12.285 3.849 1.00 1.12 C ATOM 1727 CH2 TRP A 117 6.053 13.586 4.349 1.00 1.32 C ATOM 0 H TRP A 117 5.808 12.864 -2.316 1.00 0.63 H new ATOM 0 HA TRP A 117 6.388 11.196 0.016 1.00 0.67 H new ATOM 0 HB2 TRP A 117 3.872 12.023 -1.411 1.00 0.81 H new ATOM 0 HB3 TRP A 117 3.889 10.839 -0.119 1.00 0.81 H new ATOM 0 HD1 TRP A 117 3.270 14.329 -0.573 1.00 1.21 H new ATOM 0 HE1 TRP A 117 3.709 15.762 1.518 1.00 1.30 H new ATOM 0 HE3 TRP A 117 5.878 10.919 2.222 1.00 0.89 H new ATOM 0 HZ2 TRP A 117 5.180 15.527 3.976 1.00 1.33 H new ATOM 0 HZ3 TRP A 117 6.776 11.558 4.436 1.00 1.12 H new ATOM 0 HH2 TRP A 117 6.469 13.861 5.307 1.00 1.32 H new ATOM 1738 N PHE A 118 6.798 9.135 -1.321 1.00 0.51 N ATOM 1739 CA PHE A 118 6.863 7.772 -1.788 1.00 0.49 C ATOM 1740 C PHE A 118 6.105 6.909 -0.804 1.00 0.44 C ATOM 1741 O PHE A 118 6.265 7.055 0.409 1.00 0.75 O ATOM 1742 CB PHE A 118 8.314 7.338 -1.893 1.00 0.56 C ATOM 1743 CG PHE A 118 8.554 6.059 -2.673 1.00 0.65 C ATOM 1744 CD1 PHE A 118 8.528 6.092 -4.078 1.00 2.05 C ATOM 1745 CD2 PHE A 118 9.048 4.915 -2.018 1.00 1.59 C ATOM 1746 CE1 PHE A 118 9.180 5.089 -4.816 1.00 2.19 C ATOM 1747 CE2 PHE A 118 9.619 3.868 -2.762 1.00 1.56 C ATOM 1748 CZ PHE A 118 9.730 3.978 -4.158 1.00 0.99 C ATOM 0 H PHE A 118 7.561 9.388 -0.693 1.00 0.51 H new ATOM 0 HA PHE A 118 6.415 7.675 -2.777 1.00 0.49 H new ATOM 0 HB2 PHE A 118 8.883 8.141 -2.361 1.00 0.56 H new ATOM 0 HB3 PHE A 118 8.711 7.210 -0.886 1.00 0.56 H new ATOM 0 HD1 PHE A 118 8.007 6.888 -4.590 1.00 2.05 H new ATOM 0 HD2 PHE A 118 8.988 4.842 -0.942 1.00 1.59 H new ATOM 0 HE1 PHE A 118 9.258 5.173 -5.890 1.00 2.19 H new ATOM 0 HE2 PHE A 118 9.972 2.979 -2.260 1.00 1.56 H new ATOM 0 HZ PHE A 118 10.237 3.210 -4.723 1.00 0.99 H new ATOM 1758 N ILE A 119 5.272 6.032 -1.336 1.00 0.36 N ATOM 1759 CA ILE A 119 4.568 5.013 -0.603 1.00 0.37 C ATOM 1760 C ILE A 119 5.009 3.682 -1.196 1.00 0.40 C ATOM 1761 O ILE A 119 5.234 3.584 -2.406 1.00 0.55 O ATOM 1762 CB ILE A 119 3.054 5.265 -0.705 1.00 0.43 C ATOM 1763 CG1 ILE A 119 2.609 6.362 0.285 1.00 0.47 C ATOM 1764 CG2 ILE A 119 2.272 3.976 -0.460 1.00 0.51 C ATOM 1765 CD1 ILE A 119 2.579 7.748 -0.363 1.00 0.91 C ATOM 0 H ILE A 119 5.064 6.016 -2.334 1.00 0.36 H new ATOM 0 HA ILE A 119 4.795 5.016 0.463 1.00 0.37 H new ATOM 0 HB ILE A 119 2.840 5.611 -1.716 1.00 0.43 H new ATOM 0 HG12 ILE A 119 1.618 6.121 0.670 1.00 0.47 H new ATOM 0 HG13 ILE A 119 3.288 6.376 1.138 1.00 0.47 H new ATOM 0 HG21 ILE A 119 1.204 4.178 -0.537 1.00 0.51 H new ATOM 0 HG22 ILE A 119 2.555 3.232 -1.204 1.00 0.51 H new ATOM 0 HG23 ILE A 119 2.498 3.597 0.537 1.00 0.51 H new ATOM 0 HD11 ILE A 119 2.260 8.487 0.372 1.00 0.91 H new ATOM 0 HD12 ILE A 119 3.575 8.002 -0.724 1.00 0.91 H new ATOM 0 HD13 ILE A 119 1.880 7.744 -1.199 1.00 0.91 H new ATOM 1777 N SER A 120 5.143 2.672 -0.342 1.00 0.55 N ATOM 1778 CA SER A 120 5.518 1.325 -0.724 1.00 0.50 C ATOM 1779 C SER A 120 4.621 0.354 0.029 1.00 0.55 C ATOM 1780 O SER A 120 4.384 0.575 1.215 1.00 0.67 O ATOM 1781 CB SER A 120 6.997 1.099 -0.381 1.00 0.57 C ATOM 1782 OG SER A 120 7.775 2.217 -0.781 1.00 1.59 O ATOM 0 H SER A 120 4.988 2.776 0.661 1.00 0.55 H new ATOM 0 HA SER A 120 5.392 1.168 -1.795 1.00 0.50 H new ATOM 0 HB2 SER A 120 7.107 0.936 0.691 1.00 0.57 H new ATOM 0 HB3 SER A 120 7.359 0.199 -0.879 1.00 0.57 H new ATOM 0 HG SER A 120 8.715 2.059 -0.555 1.00 1.59 H new ATOM 1788 N CYS A 121 4.123 -0.690 -0.634 1.00 0.59 N ATOM 1789 CA CYS A 121 3.299 -1.737 -0.037 1.00 0.66 C ATOM 1790 C CYS A 121 3.836 -3.069 -0.500 1.00 0.68 C ATOM 1791 O CYS A 121 3.819 -3.325 -1.702 1.00 0.81 O ATOM 1792 CB CYS A 121 1.852 -1.633 -0.502 1.00 0.94 C ATOM 1793 SG CYS A 121 0.889 -0.319 0.236 1.00 1.54 S ATOM 0 H CYS A 121 4.288 -0.833 -1.630 1.00 0.59 H new ATOM 0 HA CYS A 121 3.330 -1.634 1.048 1.00 0.66 H new ATOM 0 HB2 CYS A 121 1.847 -1.498 -1.584 1.00 0.94 H new ATOM 0 HB3 CYS A 121 1.355 -2.581 -0.297 1.00 0.94 H new ATOM 1798 N ASN A 122 4.313 -3.898 0.428 1.00 0.71 N ATOM 1799 CA ASN A 122 4.744 -5.259 0.132 1.00 0.75 C ATOM 1800 C ASN A 122 3.600 -6.195 0.498 1.00 0.78 C ATOM 1801 O ASN A 122 2.919 -5.977 1.501 1.00 0.89 O ATOM 1802 CB ASN A 122 6.045 -5.614 0.870 1.00 0.92 C ATOM 1803 CG ASN A 122 7.264 -5.168 0.064 1.00 1.39 C ATOM 1804 OD1 ASN A 122 8.089 -5.981 -0.344 1.00 2.57 O ATOM 1805 ND2 ASN A 122 7.363 -3.876 -0.218 1.00 2.41 N ATOM 0 H ASN A 122 4.411 -3.641 1.410 1.00 0.71 H new ATOM 0 HA ASN A 122 4.974 -5.360 -0.929 1.00 0.75 H new ATOM 0 HB2 ASN A 122 6.055 -5.135 1.849 1.00 0.92 H new ATOM 0 HB3 ASN A 122 6.090 -6.690 1.041 1.00 0.92 H new ATOM 0 HD21 ASN A 122 8.139 -3.536 -0.787 1.00 2.41 H new ATOM 0 HD22 ASN A 122 6.664 -3.222 0.134 1.00 2.41 H new ATOM 1812 N TYR A 123 3.375 -7.196 -0.351 1.00 0.83 N ATOM 1813 CA TYR A 123 2.285 -8.159 -0.263 1.00 0.87 C ATOM 1814 C TYR A 123 2.906 -9.541 -0.101 1.00 0.92 C ATOM 1815 O TYR A 123 4.054 -9.728 -0.516 1.00 0.88 O ATOM 1816 CB TYR A 123 1.463 -8.104 -1.557 1.00 0.89 C ATOM 1817 CG TYR A 123 0.737 -6.796 -1.789 1.00 0.79 C ATOM 1818 CD1 TYR A 123 1.454 -5.681 -2.252 1.00 2.00 C ATOM 1819 CD2 TYR A 123 -0.657 -6.708 -1.623 1.00 1.68 C ATOM 1820 CE1 TYR A 123 0.794 -4.471 -2.500 1.00 1.94 C ATOM 1821 CE2 TYR A 123 -1.327 -5.516 -1.948 1.00 1.69 C ATOM 1822 CZ TYR A 123 -0.592 -4.379 -2.321 1.00 0.62 C ATOM 1823 OH TYR A 123 -1.214 -3.197 -2.583 1.00 0.58 O ATOM 0 H TYR A 123 3.978 -7.363 -1.156 1.00 0.83 H new ATOM 0 HA TYR A 123 1.630 -7.937 0.580 1.00 0.87 H new ATOM 0 HB2 TYR A 123 2.127 -8.290 -2.401 1.00 0.89 H new ATOM 0 HB3 TYR A 123 0.732 -8.912 -1.542 1.00 0.89 H new ATOM 0 HD1 TYR A 123 2.519 -5.757 -2.417 1.00 2.00 H new ATOM 0 HD2 TYR A 123 -1.211 -7.555 -1.246 1.00 1.68 H new ATOM 0 HE1 TYR A 123 1.354 -3.608 -2.829 1.00 1.94 H new ATOM 0 HE2 TYR A 123 -2.406 -5.475 -1.911 1.00 1.69 H new ATOM 0 HH TYR A 123 -2.172 -3.284 -2.398 1.00 0.58 H new ATOM 1833 N ASP A 124 2.171 -10.494 0.471 1.00 1.09 N ATOM 1834 CA ASP A 124 2.633 -11.864 0.652 1.00 1.10 C ATOM 1835 C ASP A 124 1.421 -12.800 0.721 1.00 0.99 C ATOM 1836 O ASP A 124 0.446 -12.459 1.395 1.00 0.90 O ATOM 1837 CB ASP A 124 3.457 -11.995 1.938 1.00 1.19 C ATOM 1838 CG ASP A 124 4.154 -13.335 1.968 1.00 1.59 C ATOM 1839 OD1 ASP A 124 3.537 -14.338 2.380 1.00 2.21 O ATOM 1840 OD2 ASP A 124 5.318 -13.371 1.509 1.00 2.64 O ATOM 0 H ASP A 124 1.228 -10.332 0.825 1.00 1.09 H new ATOM 0 HA ASP A 124 3.267 -12.135 -0.192 1.00 1.10 H new ATOM 0 HB2 ASP A 124 4.192 -11.192 1.993 1.00 1.19 H new ATOM 0 HB3 ASP A 124 2.808 -11.893 2.808 1.00 1.19 H new ATOM 1845 N PRO A 125 1.436 -13.969 0.063 1.00 1.03 N ATOM 1846 CA PRO A 125 2.380 -14.379 -0.962 1.00 1.14 C ATOM 1847 C PRO A 125 2.308 -13.437 -2.164 1.00 1.13 C ATOM 1848 O PRO A 125 1.452 -12.555 -2.242 1.00 1.08 O ATOM 1849 CB PRO A 125 1.977 -15.808 -1.339 1.00 1.18 C ATOM 1850 CG PRO A 125 0.486 -15.847 -1.012 1.00 1.10 C ATOM 1851 CD PRO A 125 0.428 -14.989 0.249 1.00 1.00 C ATOM 0 HA PRO A 125 3.411 -14.342 -0.611 1.00 1.14 H new ATOM 0 HB2 PRO A 125 2.164 -16.014 -2.393 1.00 1.18 H new ATOM 0 HB3 PRO A 125 2.535 -16.548 -0.765 1.00 1.18 H new ATOM 0 HG2 PRO A 125 -0.121 -15.434 -1.817 1.00 1.10 H new ATOM 0 HG3 PRO A 125 0.132 -16.862 -0.834 1.00 1.10 H new ATOM 0 HD2 PRO A 125 -0.560 -14.547 0.379 1.00 1.00 H new ATOM 0 HD3 PRO A 125 0.630 -15.584 1.139 1.00 1.00 H new ATOM 1859 N VAL A 126 3.249 -13.601 -3.091 1.00 1.24 N ATOM 1860 CA VAL A 126 3.424 -12.655 -4.175 1.00 1.21 C ATOM 1861 C VAL A 126 2.162 -12.462 -5.021 1.00 1.13 C ATOM 1862 O VAL A 126 1.339 -13.367 -5.189 1.00 1.20 O ATOM 1863 CB VAL A 126 4.657 -12.991 -5.023 1.00 1.40 C ATOM 1864 CG1 VAL A 126 5.927 -13.057 -4.168 1.00 1.53 C ATOM 1865 CG2 VAL A 126 4.491 -14.325 -5.761 1.00 1.49 C ATOM 0 H VAL A 126 3.901 -14.385 -3.107 1.00 1.24 H new ATOM 0 HA VAL A 126 3.607 -11.686 -3.711 1.00 1.21 H new ATOM 0 HB VAL A 126 4.754 -12.187 -5.753 1.00 1.40 H new ATOM 0 HG11 VAL A 126 6.780 -13.297 -4.802 1.00 1.53 H new ATOM 0 HG12 VAL A 126 6.092 -12.093 -3.687 1.00 1.53 H new ATOM 0 HG13 VAL A 126 5.813 -13.828 -3.406 1.00 1.53 H new ATOM 0 HG21 VAL A 126 5.385 -14.528 -6.351 1.00 1.49 H new ATOM 0 HG22 VAL A 126 4.345 -15.126 -5.036 1.00 1.49 H new ATOM 0 HG23 VAL A 126 3.625 -14.270 -6.421 1.00 1.49 H new ATOM 1875 N GLY A 127 2.040 -11.254 -5.572 1.00 1.11 N ATOM 1876 CA GLY A 127 0.912 -10.814 -6.360 1.00 1.10 C ATOM 1877 C GLY A 127 1.367 -10.312 -7.718 1.00 1.07 C ATOM 1878 O GLY A 127 2.530 -9.951 -7.895 1.00 1.15 O ATOM 0 H GLY A 127 2.757 -10.535 -5.472 1.00 1.11 H new ATOM 0 HA2 GLY A 127 0.209 -11.637 -6.488 1.00 1.10 H new ATOM 0 HA3 GLY A 127 0.382 -10.021 -5.833 1.00 1.10 H new ATOM 1882 N ASN A 128 0.431 -10.344 -8.671 1.00 1.07 N ATOM 1883 CA ASN A 128 0.639 -10.190 -10.118 1.00 1.18 C ATOM 1884 C ASN A 128 1.310 -11.410 -10.758 1.00 1.46 C ATOM 1885 O ASN A 128 1.695 -11.360 -11.922 1.00 1.88 O ATOM 1886 CB ASN A 128 1.417 -8.914 -10.489 1.00 1.33 C ATOM 1887 CG ASN A 128 0.724 -7.627 -10.069 1.00 0.98 C ATOM 1888 OD1 ASN A 128 -0.459 -7.431 -10.335 1.00 1.54 O ATOM 1889 ND2 ASN A 128 1.453 -6.716 -9.434 1.00 1.75 N ATOM 0 H ASN A 128 -0.553 -10.487 -8.441 1.00 1.07 H new ATOM 0 HA ASN A 128 -0.367 -10.099 -10.527 1.00 1.18 H new ATOM 0 HB2 ASN A 128 2.402 -8.953 -10.025 1.00 1.33 H new ATOM 0 HB3 ASN A 128 1.573 -8.896 -11.568 1.00 1.33 H new ATOM 0 HD21 ASN A 128 1.032 -5.830 -9.156 1.00 1.75 H new ATOM 0 HD22 ASN A 128 2.434 -6.903 -9.225 1.00 1.75 H new ATOM 1896 N TRP A 129 1.452 -12.500 -10.013 1.00 1.34 N ATOM 1897 CA TRP A 129 2.199 -13.691 -10.399 1.00 1.57 C ATOM 1898 C TRP A 129 1.236 -14.730 -10.987 1.00 1.66 C ATOM 1899 O TRP A 129 0.220 -15.036 -10.371 1.00 1.59 O ATOM 1900 CB TRP A 129 2.987 -14.152 -9.156 1.00 1.46 C ATOM 1901 CG TRP A 129 3.009 -15.600 -8.766 1.00 1.50 C ATOM 1902 CD1 TRP A 129 2.020 -16.241 -8.098 1.00 1.46 C ATOM 1903 CD2 TRP A 129 4.120 -16.547 -8.831 1.00 1.68 C ATOM 1904 NE1 TRP A 129 2.444 -17.504 -7.748 1.00 1.59 N ATOM 1905 CE2 TRP A 129 3.731 -17.749 -8.172 1.00 1.71 C ATOM 1906 CE3 TRP A 129 5.443 -16.496 -9.332 1.00 1.89 C ATOM 1907 CZ2 TRP A 129 4.594 -18.842 -8.020 1.00 1.90 C ATOM 1908 CZ3 TRP A 129 6.320 -17.588 -9.186 1.00 2.08 C ATOM 1909 CH2 TRP A 129 5.898 -18.761 -8.535 1.00 2.06 C ATOM 0 H TRP A 129 1.033 -12.581 -9.087 1.00 1.34 H new ATOM 0 HA TRP A 129 2.924 -13.507 -11.191 1.00 1.57 H new ATOM 0 HB2 TRP A 129 4.022 -13.840 -9.297 1.00 1.46 H new ATOM 0 HB3 TRP A 129 2.599 -13.594 -8.303 1.00 1.46 H new ATOM 0 HD1 TRP A 129 1.048 -15.826 -7.874 1.00 1.46 H new ATOM 0 HE1 TRP A 129 1.873 -18.177 -7.236 1.00 1.59 H new ATOM 0 HE3 TRP A 129 5.786 -15.604 -9.835 1.00 1.89 H new ATOM 0 HZ2 TRP A 129 4.261 -19.736 -7.513 1.00 1.90 H new ATOM 0 HZ3 TRP A 129 7.325 -17.524 -9.577 1.00 2.08 H new ATOM 0 HH2 TRP A 129 6.574 -19.597 -8.431 1.00 2.06 H new ATOM 1920 N ILE A 130 1.503 -15.254 -12.186 1.00 2.18 N ATOM 1921 CA ILE A 130 0.720 -16.363 -12.712 1.00 2.24 C ATOM 1922 C ILE A 130 0.760 -17.566 -11.763 1.00 1.92 C ATOM 1923 O ILE A 130 1.717 -17.734 -11.012 1.00 1.95 O ATOM 1924 CB ILE A 130 1.145 -16.682 -14.163 1.00 2.89 C ATOM 1925 CG1 ILE A 130 -0.064 -16.685 -15.101 1.00 3.33 C ATOM 1926 CG2 ILE A 130 1.907 -17.996 -14.331 1.00 3.05 C ATOM 1927 CD1 ILE A 130 -0.533 -15.277 -15.441 1.00 4.37 C ATOM 0 H ILE A 130 2.248 -14.929 -12.802 1.00 2.18 H new ATOM 0 HA ILE A 130 -0.330 -16.076 -12.764 1.00 2.24 H new ATOM 0 HB ILE A 130 1.837 -15.882 -14.427 1.00 2.89 H new ATOM 0 HG12 ILE A 130 0.193 -17.212 -16.020 1.00 3.33 H new ATOM 0 HG13 ILE A 130 -0.881 -17.236 -14.635 1.00 3.33 H new ATOM 0 HG21 ILE A 130 2.164 -18.136 -15.381 1.00 3.05 H new ATOM 0 HG22 ILE A 130 2.819 -17.966 -13.735 1.00 3.05 H new ATOM 0 HG23 ILE A 130 1.282 -18.824 -13.997 1.00 3.05 H new ATOM 0 HD11 ILE A 130 -1.393 -15.331 -16.109 1.00 4.37 H new ATOM 0 HD12 ILE A 130 -0.817 -14.757 -14.526 1.00 4.37 H new ATOM 0 HD13 ILE A 130 0.274 -14.733 -15.932 1.00 4.37 H new ATOM 1939 N GLY A 131 -0.278 -18.402 -11.816 1.00 2.03 N ATOM 1940 CA GLY A 131 -0.435 -19.525 -10.904 1.00 2.12 C ATOM 1941 C GLY A 131 -1.064 -19.043 -9.600 1.00 1.88 C ATOM 1942 O GLY A 131 -0.637 -19.418 -8.510 1.00 2.74 O ATOM 0 H GLY A 131 -1.033 -18.315 -12.496 1.00 2.03 H new ATOM 0 HA2 GLY A 131 -1.062 -20.292 -11.360 1.00 2.12 H new ATOM 0 HA3 GLY A 131 0.534 -19.982 -10.705 1.00 2.12 H new ATOM 1946 N GLN A 132 -2.093 -18.203 -9.716 1.00 1.73 N ATOM 1947 CA GLN A 132 -2.930 -17.764 -8.618 1.00 1.60 C ATOM 1948 C GLN A 132 -4.273 -17.339 -9.211 1.00 1.75 C ATOM 1949 O GLN A 132 -4.399 -17.254 -10.434 1.00 2.50 O ATOM 1950 CB GLN A 132 -2.270 -16.572 -7.912 1.00 1.65 C ATOM 1951 CG GLN A 132 -2.383 -16.669 -6.390 1.00 2.22 C ATOM 1952 CD GLN A 132 -1.262 -17.513 -5.802 1.00 1.88 C ATOM 1953 OE1 GLN A 132 -1.460 -18.679 -5.481 1.00 2.90 O ATOM 1954 NE2 GLN A 132 -0.083 -16.930 -5.634 1.00 1.80 N ATOM 0 H GLN A 132 -2.370 -17.800 -10.611 1.00 1.73 H new ATOM 0 HA GLN A 132 -3.067 -18.563 -7.889 1.00 1.60 H new ATOM 0 HB2 GLN A 132 -1.218 -16.521 -8.194 1.00 1.65 H new ATOM 0 HB3 GLN A 132 -2.736 -15.647 -8.251 1.00 1.65 H new ATOM 0 HG2 GLN A 132 -2.353 -15.669 -5.957 1.00 2.22 H new ATOM 0 HG3 GLN A 132 -3.346 -17.103 -6.122 1.00 2.22 H new ATOM 0 HE21 GLN A 132 0.049 -15.957 -5.912 1.00 1.80 H new ATOM 0 HE22 GLN A 132 0.692 -17.454 -5.227 1.00 1.80 H new ATOM 1963 N ARG A 133 -5.228 -16.978 -8.354 1.00 1.91 N ATOM 1964 CA ARG A 133 -6.368 -16.156 -8.733 1.00 1.93 C ATOM 1965 C ARG A 133 -6.146 -14.764 -8.127 1.00 1.40 C ATOM 1966 O ARG A 133 -5.868 -14.682 -6.927 1.00 1.35 O ATOM 1967 CB ARG A 133 -7.679 -16.785 -8.225 1.00 2.35 C ATOM 1968 CG ARG A 133 -8.518 -17.261 -9.416 1.00 2.86 C ATOM 1969 CD ARG A 133 -9.904 -17.755 -8.970 1.00 3.85 C ATOM 1970 NE ARG A 133 -10.871 -17.757 -10.080 1.00 4.30 N ATOM 1971 CZ ARG A 133 -10.793 -18.489 -11.199 1.00 4.40 C ATOM 1972 NH1 ARG A 133 -9.838 -19.403 -11.350 1.00 4.31 N ATOM 1973 NH2 ARG A 133 -11.676 -18.298 -12.177 1.00 5.44 N ATOM 0 H ARG A 133 -5.229 -17.252 -7.371 1.00 1.91 H new ATOM 0 HA ARG A 133 -6.452 -16.084 -9.817 1.00 1.93 H new ATOM 0 HB2 ARG A 133 -7.459 -17.623 -7.564 1.00 2.35 H new ATOM 0 HB3 ARG A 133 -8.241 -16.057 -7.640 1.00 2.35 H new ATOM 0 HG2 ARG A 133 -8.634 -16.445 -10.129 1.00 2.86 H new ATOM 0 HG3 ARG A 133 -7.994 -18.065 -9.933 1.00 2.86 H new ATOM 0 HD2 ARG A 133 -9.816 -18.763 -8.563 1.00 3.85 H new ATOM 0 HD3 ARG A 133 -10.275 -17.118 -8.167 1.00 3.85 H new ATOM 0 HE ARG A 133 -11.679 -17.141 -9.988 1.00 4.30 H new ATOM 0 HH11 ARG A 133 -9.154 -19.553 -10.608 1.00 4.31 H new ATOM 0 HH12 ARG A 133 -9.790 -19.954 -12.207 1.00 4.31 H new ATOM 0 HH21 ARG A 133 -12.409 -17.596 -12.073 1.00 5.44 H new ATOM 0 HH22 ARG A 133 -11.620 -18.854 -13.031 1.00 5.44 H new ATOM 1987 N PRO A 134 -6.233 -13.675 -8.911 1.00 1.10 N ATOM 1988 CA PRO A 134 -6.306 -12.338 -8.355 1.00 0.79 C ATOM 1989 C PRO A 134 -7.619 -12.161 -7.601 1.00 0.80 C ATOM 1990 O PRO A 134 -7.660 -11.494 -6.577 1.00 0.95 O ATOM 1991 CB PRO A 134 -6.250 -11.352 -9.523 1.00 0.79 C ATOM 1992 CG PRO A 134 -6.364 -12.193 -10.795 1.00 0.90 C ATOM 1993 CD PRO A 134 -6.406 -13.660 -10.353 1.00 1.29 C ATOM 0 HA PRO A 134 -5.483 -12.166 -7.661 1.00 0.79 H new ATOM 0 HB2 PRO A 134 -7.062 -10.628 -9.461 1.00 0.79 H new ATOM 0 HB3 PRO A 134 -5.318 -10.787 -9.512 1.00 0.79 H new ATOM 0 HG2 PRO A 134 -7.263 -11.931 -11.352 1.00 0.90 H new ATOM 0 HG3 PRO A 134 -5.516 -12.012 -11.455 1.00 0.90 H new ATOM 0 HD2 PRO A 134 -7.354 -14.120 -10.632 1.00 1.29 H new ATOM 0 HD3 PRO A 134 -5.618 -14.233 -10.842 1.00 1.29 H new ATOM 2001 N TYR A 135 -8.694 -12.723 -8.132 1.00 0.89 N ATOM 2002 CA TYR A 135 -10.026 -12.753 -7.581 1.00 0.92 C ATOM 2003 C TYR A 135 -10.584 -14.114 -7.969 1.00 1.17 C ATOM 2004 O TYR A 135 -10.041 -14.611 -8.979 1.00 1.33 O ATOM 2005 CB TYR A 135 -10.902 -11.583 -8.071 1.00 0.79 C ATOM 2006 CG TYR A 135 -11.106 -11.292 -9.559 1.00 0.86 C ATOM 2007 CD1 TYR A 135 -10.212 -11.723 -10.558 1.00 1.81 C ATOM 2008 CD2 TYR A 135 -12.060 -10.313 -9.894 1.00 2.25 C ATOM 2009 CE1 TYR A 135 -10.130 -11.026 -11.774 1.00 1.92 C ATOM 2010 CE2 TYR A 135 -11.998 -9.631 -11.121 1.00 2.18 C ATOM 2011 CZ TYR A 135 -11.000 -9.964 -12.048 1.00 0.93 C ATOM 2012 OH TYR A 135 -10.656 -9.095 -13.037 1.00 1.21 O ATOM 2013 OXT TYR A 135 -10.927 -14.823 -7.002 1.00 2.39 O ATOM 0 H TYR A 135 -8.646 -13.206 -9.029 1.00 0.89 H new ATOM 0 HA TYR A 135 -10.013 -12.623 -6.499 1.00 0.92 H new ATOM 0 HB2 TYR A 135 -11.893 -11.730 -7.641 1.00 0.79 H new ATOM 0 HB3 TYR A 135 -10.493 -10.676 -7.626 1.00 0.79 H new ATOM 0 HD1 TYR A 135 -9.590 -12.589 -10.389 1.00 1.81 H new ATOM 0 HD2 TYR A 135 -12.852 -10.082 -9.197 1.00 2.25 H new ATOM 0 HE1 TYR A 135 -9.388 -11.312 -12.505 1.00 1.92 H new ATOM 0 HE2 TYR A 135 -12.714 -8.855 -11.349 1.00 2.18 H new ATOM 0 HH TYR A 135 -11.436 -8.918 -13.603 1.00 1.21 H new TER 2023 TYR A 135