USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1051 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 118 TYR OH : rot 30:sc= 1.05 USER MOD Set 1.2: A 121 LYS NZ :NH3+ 178:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 95 HIS : no HE2:sc= -1.93! C(o=-1.9!,f=-6.3!) USER MOD Set 3.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 73 ASN : amide:sc= -1.43! C(o=-1.4!,f=-2.8!) USER MOD Set 4.1: A 36 GLN : amide:sc= -6.74! C(o=-5.5!,f=-4!) USER MOD Set 4.2: A 54 THR OG1 : rot -150:sc= 1.19 USER MOD Set 5.1: A 10 SER OG : rot -129:sc=0.000602 USER MOD Set 5.2: A 107 ASN : amide:sc=-0.00661 X(o=-0.006,f=-0.44) USER MOD Single : A 1 TYR N :NH3+ 134:sc= 0.255 (180deg=0.0128) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 159:sc= 0.196 (180deg=0.0529) USER MOD Single : A 3 LYS NZ :NH3+ -173:sc=-0.00188 (180deg=-0.0614) USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 0.748 (180deg=0.742) USER MOD Single : A 8 TYR OH : rot 153:sc= 0.458 USER MOD Single : A 9 CYS SG : rot 42:sc= -6.33! USER MOD Single : A 11 ASN : amide:sc= -0.0748 K(o=-0.075,f=-1.5!) USER MOD Single : A 14 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.27) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.000793 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -48:sc= 0.311 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.7!) USER MOD Single : A 38 GLN : amide:sc=-0.00525 K(o=-0.0052,f=-1.7) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 118:sc= 1.29 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 33:sc= 0.448 USER MOD Single : A 52 THR OG1 : rot -100:sc= -0.781 USER MOD Single : A 56 GLN : amide:sc= -9.52! C(o=-9.5!,f=-12!) USER MOD Single : A 60 MET CE :methyl -159:sc= -2.97! (180deg=-4.39!) USER MOD Single : A 67 TYR OH : rot 15:sc= 0.0459 USER MOD Single : A 69 SER OG : rot -159:sc= 0.699 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -76:sc= 1.26 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.0388 K(o=-0.039,f=-0.86) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 174:sc= 1.28 USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= -1.77! (180deg=-2.22!) USER MOD Single : A 94 LYS NZ :NH3+ -125:sc= 1.37 (180deg=0.0335) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= -0.0292 (180deg=-0.199) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 141:sc= -1.65 (180deg=-4.27!) USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= -0.248 (180deg=-0.343) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -63:sc= -1.98! USER MOD Single : A 111 LYS NZ :NH3+ -140:sc= -3.01! (180deg=-4.57!) USER MOD Single : A 116 THR OG1 : rot -26:sc= -1.02! USER MOD Single : A 117 HIS : no HD1:sc= -0.405 X(o=-0.4,f=0.061) USER MOD Single : A 120 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.069) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.629 -8.408 9.979 1.00 2.41 N ATOM 2 CA TYR A 1 15.410 -7.568 8.782 1.00 2.09 C ATOM 3 C TYR A 1 15.123 -6.138 9.194 1.00 2.03 C ATOM 4 O TYR A 1 14.861 -5.862 10.366 1.00 2.57 O ATOM 5 CB TYR A 1 14.219 -8.088 7.970 1.00 2.90 C ATOM 6 CG TYR A 1 14.369 -9.503 7.455 1.00 3.87 C ATOM 7 CD1 TYR A 1 15.132 -9.775 6.326 1.00 4.39 C ATOM 8 CD2 TYR A 1 13.738 -10.566 8.093 1.00 4.74 C ATOM 9 CE1 TYR A 1 15.263 -11.066 5.848 1.00 5.57 C ATOM 10 CE2 TYR A 1 13.864 -11.858 7.620 1.00 5.86 C ATOM 11 CZ TYR A 1 14.626 -12.102 6.499 1.00 6.21 C ATOM 12 OH TYR A 1 14.749 -13.389 6.027 1.00 7.47 O ATOM 0 H1 TYR A 1 15.091 -9.293 9.885 1.00 2.41 H new ATOM 0 H2 TYR A 1 16.642 -8.626 10.069 1.00 2.41 H new ATOM 0 H3 TYR A 1 15.308 -7.896 10.826 1.00 2.41 H new ATOM 0 HA TYR A 1 16.313 -7.608 8.173 1.00 2.09 H new ATOM 0 HB2 TYR A 1 13.324 -8.035 8.590 1.00 2.90 H new ATOM 0 HB3 TYR A 1 14.058 -7.423 7.121 1.00 2.90 H new ATOM 0 HD1 TYR A 1 15.631 -8.965 5.814 1.00 4.39 H new ATOM 0 HD2 TYR A 1 13.140 -10.378 8.972 1.00 4.74 H new ATOM 0 HE1 TYR A 1 15.861 -11.262 4.970 1.00 5.57 H new ATOM 0 HE2 TYR A 1 13.368 -12.672 8.127 1.00 5.86 H new ATOM 0 HH TYR A 1 14.239 -13.998 6.601 1.00 7.47 H new ATOM 24 N LYS A 2 15.179 -5.233 8.229 1.00 2.03 N ATOM 25 CA LYS A 2 14.708 -3.881 8.436 1.00 2.09 C ATOM 26 C LYS A 2 13.196 -3.940 8.313 1.00 1.28 C ATOM 27 O LYS A 2 12.673 -4.631 7.442 1.00 1.83 O ATOM 28 CB LYS A 2 15.332 -2.956 7.375 1.00 3.32 C ATOM 29 CG LYS A 2 14.870 -1.501 7.410 1.00 4.26 C ATOM 30 CD LYS A 2 15.538 -0.697 6.297 1.00 5.27 C ATOM 31 CE LYS A 2 14.879 0.660 6.071 1.00 6.31 C ATOM 32 NZ LYS A 2 15.169 1.636 7.155 1.00 6.96 N ATOM 0 H LYS A 2 15.547 -5.415 7.295 1.00 2.03 H new ATOM 0 HA LYS A 2 14.991 -3.483 9.411 1.00 2.09 H new ATOM 0 HB2 LYS A 2 16.415 -2.977 7.494 1.00 3.32 H new ATOM 0 HB3 LYS A 2 15.111 -3.364 6.389 1.00 3.32 H new ATOM 0 HG2 LYS A 2 13.787 -1.455 7.299 1.00 4.26 H new ATOM 0 HG3 LYS A 2 15.110 -1.061 8.378 1.00 4.26 H new ATOM 0 HD2 LYS A 2 16.589 -0.549 6.543 1.00 5.27 H new ATOM 0 HD3 LYS A 2 15.505 -1.271 5.371 1.00 5.27 H new ATOM 0 HE2 LYS A 2 15.221 1.069 5.120 1.00 6.31 H new ATOM 0 HE3 LYS A 2 13.800 0.525 5.991 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 15.016 2.602 6.802 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 14.537 1.457 7.961 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 16.158 1.532 7.461 1.00 6.96 H new ATOM 46 N LYS A 3 12.498 -3.219 9.167 1.00 0.93 N ATOM 47 CA LYS A 3 11.064 -3.431 9.312 1.00 0.96 C ATOM 48 C LYS A 3 10.232 -2.788 8.210 1.00 0.78 C ATOM 49 O LYS A 3 9.194 -3.342 7.852 1.00 1.17 O ATOM 50 CB LYS A 3 10.555 -2.965 10.663 1.00 1.91 C ATOM 51 CG LYS A 3 10.844 -3.935 11.804 1.00 2.62 C ATOM 52 CD LYS A 3 12.336 -4.053 12.083 1.00 3.43 C ATOM 53 CE LYS A 3 12.648 -5.162 13.075 1.00 4.25 C ATOM 54 NZ LYS A 3 11.937 -4.974 14.367 1.00 4.81 N ATOM 0 H LYS A 3 12.889 -2.491 9.765 1.00 0.93 H new ATOM 0 HA LYS A 3 10.937 -4.510 9.229 1.00 0.96 H new ATOM 0 HB2 LYS A 3 11.006 -2.001 10.897 1.00 1.91 H new ATOM 0 HB3 LYS A 3 9.479 -2.806 10.599 1.00 1.91 H new ATOM 0 HG2 LYS A 3 10.331 -3.599 12.705 1.00 2.62 H new ATOM 0 HG3 LYS A 3 10.442 -4.917 11.556 1.00 2.62 H new ATOM 0 HD2 LYS A 3 12.865 -4.244 11.149 1.00 3.43 H new ATOM 0 HD3 LYS A 3 12.707 -3.105 12.472 1.00 3.43 H new ATOM 0 HE2 LYS A 3 12.367 -6.123 12.644 1.00 4.25 H new ATOM 0 HE3 LYS A 3 13.723 -5.195 13.255 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 12.268 -5.683 15.052 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 12.131 -4.021 14.734 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 10.914 -5.087 14.220 1.00 4.81 H new ATOM 68 N PRO A 4 10.604 -1.589 7.711 1.00 0.45 N ATOM 69 CA PRO A 4 9.993 -1.034 6.514 1.00 0.41 C ATOM 70 C PRO A 4 9.732 -2.108 5.469 1.00 0.39 C ATOM 71 O PRO A 4 10.628 -2.846 5.081 1.00 0.53 O ATOM 72 CB PRO A 4 11.043 -0.048 6.027 1.00 0.59 C ATOM 73 CG PRO A 4 11.701 0.445 7.266 1.00 0.72 C ATOM 74 CD PRO A 4 11.580 -0.649 8.296 1.00 0.80 C ATOM 0 HA PRO A 4 9.021 -0.579 6.705 1.00 0.41 H new ATOM 0 HB2 PRO A 4 11.760 -0.529 5.362 1.00 0.59 H new ATOM 0 HB3 PRO A 4 10.589 0.770 5.467 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.748 0.683 7.078 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.224 1.360 7.618 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.540 -1.133 8.478 1.00 0.80 H new ATOM 0 HD3 PRO A 4 11.233 -0.259 9.253 1.00 0.80 H new ATOM 82 N LYS A 5 8.493 -2.210 5.059 1.00 0.38 N ATOM 83 CA LYS A 5 8.078 -3.200 4.099 1.00 0.38 C ATOM 84 C LYS A 5 7.840 -2.530 2.762 1.00 0.35 C ATOM 85 O LYS A 5 7.517 -1.349 2.697 1.00 0.40 O ATOM 86 CB LYS A 5 6.814 -3.904 4.599 1.00 0.44 C ATOM 87 CG LYS A 5 7.040 -4.650 5.903 1.00 1.16 C ATOM 88 CD LYS A 5 5.746 -5.132 6.533 1.00 1.64 C ATOM 89 CE LYS A 5 6.023 -5.872 7.830 1.00 2.57 C ATOM 90 NZ LYS A 5 4.777 -6.245 8.551 1.00 3.33 N ATOM 0 H LYS A 5 7.739 -1.604 5.384 1.00 0.38 H new ATOM 0 HA LYS A 5 8.857 -3.952 3.975 1.00 0.38 H new ATOM 0 HB2 LYS A 5 6.023 -3.167 4.738 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.467 -4.604 3.839 1.00 0.44 H new ATOM 0 HG2 LYS A 5 7.691 -5.505 5.720 1.00 1.16 H new ATOM 0 HG3 LYS A 5 7.560 -3.998 6.605 1.00 1.16 H new ATOM 0 HD2 LYS A 5 5.091 -4.282 6.726 1.00 1.64 H new ATOM 0 HD3 LYS A 5 5.220 -5.788 5.839 1.00 1.64 H new ATOM 0 HE2 LYS A 5 6.598 -6.773 7.615 1.00 2.57 H new ATOM 0 HE3 LYS A 5 6.640 -5.247 8.476 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 5.021 -6.702 9.453 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 4.214 -5.390 8.737 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 4.223 -6.904 7.968 1.00 3.33 H new ATOM 104 N LEU A 6 8.021 -3.274 1.702 1.00 0.35 N ATOM 105 CA LEU A 6 7.880 -2.729 0.374 1.00 0.37 C ATOM 106 C LEU A 6 6.527 -3.081 -0.197 1.00 0.37 C ATOM 107 O LEU A 6 5.914 -4.086 0.185 1.00 0.46 O ATOM 108 CB LEU A 6 9.023 -3.173 -0.559 1.00 0.51 C ATOM 109 CG LEU A 6 9.063 -4.637 -1.023 1.00 0.64 C ATOM 110 CD1 LEU A 6 7.975 -4.951 -2.036 1.00 1.24 C ATOM 111 CD2 LEU A 6 10.406 -4.927 -1.648 1.00 1.49 C ATOM 0 H LEU A 6 8.267 -4.263 1.731 1.00 0.35 H new ATOM 0 HA LEU A 6 7.948 -1.644 0.450 1.00 0.37 H new ATOM 0 HB2 LEU A 6 8.988 -2.544 -1.449 1.00 0.51 H new ATOM 0 HB3 LEU A 6 9.965 -2.959 -0.054 1.00 0.51 H new ATOM 0 HG LEU A 6 8.897 -5.262 -0.145 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.045 -5.997 -2.333 1.00 1.24 H new ATOM 0 HD12 LEU A 6 6.998 -4.765 -1.590 1.00 1.24 H new ATOM 0 HD13 LEU A 6 8.100 -4.316 -2.913 1.00 1.24 H new ATOM 0 HD21 LEU A 6 10.437 -5.965 -1.978 1.00 1.49 H new ATOM 0 HD22 LEU A 6 10.559 -4.269 -2.504 1.00 1.49 H new ATOM 0 HD23 LEU A 6 11.193 -4.756 -0.914 1.00 1.49 H new ATOM 123 N LEU A 7 6.074 -2.251 -1.109 1.00 0.36 N ATOM 124 CA LEU A 7 4.791 -2.436 -1.738 1.00 0.39 C ATOM 125 C LEU A 7 4.965 -3.244 -3.009 1.00 0.41 C ATOM 126 O LEU A 7 5.295 -2.702 -4.070 1.00 0.58 O ATOM 127 CB LEU A 7 4.189 -1.063 -2.069 1.00 0.55 C ATOM 128 CG LEU A 7 2.731 -1.022 -2.565 1.00 0.59 C ATOM 129 CD1 LEU A 7 2.554 -1.683 -3.917 1.00 1.53 C ATOM 130 CD2 LEU A 7 1.805 -1.626 -1.523 1.00 1.25 C ATOM 0 H LEU A 7 6.586 -1.430 -1.434 1.00 0.36 H new ATOM 0 HA LEU A 7 4.122 -2.971 -1.064 1.00 0.39 H new ATOM 0 HB2 LEU A 7 4.257 -0.443 -1.175 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.815 -0.596 -2.829 1.00 0.55 H new ATOM 0 HG LEU A 7 2.463 0.025 -2.706 1.00 0.59 H new ATOM 0 HD11 LEU A 7 1.508 -1.624 -4.216 1.00 1.53 H new ATOM 0 HD12 LEU A 7 3.172 -1.172 -4.655 1.00 1.53 H new ATOM 0 HD13 LEU A 7 2.855 -2.729 -3.853 1.00 1.53 H new ATOM 0 HD21 LEU A 7 0.778 -1.591 -1.885 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.090 -2.662 -1.340 1.00 1.25 H new ATOM 0 HD23 LEU A 7 1.882 -1.059 -0.595 1.00 1.25 H new ATOM 142 N TYR A 8 4.798 -4.545 -2.897 1.00 0.50 N ATOM 143 CA TYR A 8 4.632 -5.355 -4.080 1.00 0.71 C ATOM 144 C TYR A 8 3.218 -5.927 -4.081 1.00 0.44 C ATOM 145 O TYR A 8 2.995 -6.992 -3.526 1.00 0.73 O ATOM 146 CB TYR A 8 5.695 -6.477 -3.995 1.00 1.29 C ATOM 147 CG TYR A 8 5.729 -7.511 -5.108 1.00 1.60 C ATOM 148 CD1 TYR A 8 4.755 -8.497 -5.215 1.00 1.84 C ATOM 149 CD2 TYR A 8 6.772 -7.526 -6.027 1.00 2.21 C ATOM 150 CE1 TYR A 8 4.814 -9.458 -6.201 1.00 2.43 C ATOM 151 CE2 TYR A 8 6.834 -8.483 -7.022 1.00 2.93 C ATOM 152 CZ TYR A 8 5.852 -9.447 -7.103 1.00 2.96 C ATOM 153 OH TYR A 8 5.910 -10.401 -8.087 1.00 3.74 O ATOM 0 H TYR A 8 4.774 -5.055 -2.014 1.00 0.50 H new ATOM 0 HA TYR A 8 4.764 -4.787 -5.001 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.676 -6.005 -3.947 1.00 1.29 H new ATOM 0 HB3 TYR A 8 5.549 -7.005 -3.053 1.00 1.29 H new ATOM 0 HD1 TYR A 8 3.936 -8.510 -4.511 1.00 1.84 H new ATOM 0 HD2 TYR A 8 7.547 -6.777 -5.962 1.00 2.21 H new ATOM 0 HE1 TYR A 8 4.048 -10.217 -6.265 1.00 2.43 H new ATOM 0 HE2 TYR A 8 7.647 -8.476 -7.732 1.00 2.93 H new ATOM 0 HH TYR A 8 6.396 -10.045 -8.860 1.00 3.74 H new ATOM 163 N CYS A 9 2.244 -5.248 -4.709 1.00 0.63 N ATOM 164 CA CYS A 9 0.968 -5.912 -4.927 1.00 0.75 C ATOM 165 C CYS A 9 0.486 -5.823 -6.373 1.00 1.05 C ATOM 166 O CYS A 9 -0.375 -5.018 -6.718 1.00 1.99 O ATOM 167 CB CYS A 9 -0.047 -5.219 -4.032 1.00 1.57 C ATOM 168 SG CYS A 9 0.663 -4.608 -2.483 1.00 2.64 S ATOM 0 H CYS A 9 2.315 -4.291 -5.055 1.00 0.63 H new ATOM 0 HA CYS A 9 1.084 -6.972 -4.699 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.489 -4.384 -4.575 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -0.855 -5.915 -3.804 1.00 1.57 H new ATOM 0 HG CYS A 9 1.821 -4.066 -2.720 1.00 2.64 H new ATOM 174 N SER A 10 1.084 -6.616 -7.211 1.00 0.83 N ATOM 175 CA SER A 10 0.509 -7.256 -8.367 1.00 1.29 C ATOM 176 C SER A 10 1.188 -8.602 -8.364 1.00 0.84 C ATOM 177 O SER A 10 2.308 -8.652 -7.839 1.00 1.34 O ATOM 178 CB SER A 10 0.817 -6.467 -9.641 1.00 2.36 C ATOM 179 OG SER A 10 0.514 -5.094 -9.464 1.00 3.16 O ATOM 0 H SER A 10 2.069 -6.855 -7.098 1.00 0.83 H new ATOM 0 HA SER A 10 -0.578 -7.325 -8.337 1.00 1.29 H new ATOM 0 HB2 SER A 10 1.869 -6.582 -9.901 1.00 2.36 H new ATOM 0 HB3 SER A 10 0.238 -6.868 -10.473 1.00 2.36 H new ATOM 0 HG SER A 10 -0.051 -4.786 -10.203 1.00 3.16 H new ATOM 185 N ASN A 11 0.662 -9.684 -8.895 1.00 1.45 N ATOM 186 CA ASN A 11 1.623 -10.737 -9.149 1.00 1.79 C ATOM 187 C ASN A 11 2.296 -10.385 -10.473 1.00 1.40 C ATOM 188 O ASN A 11 1.783 -10.667 -11.554 1.00 1.83 O ATOM 189 CB ASN A 11 0.965 -12.116 -9.209 1.00 2.89 C ATOM 190 CG ASN A 11 1.994 -13.230 -9.187 1.00 3.45 C ATOM 191 OD1 ASN A 11 3.082 -13.076 -8.627 1.00 3.71 O ATOM 192 ND2 ASN A 11 1.654 -14.363 -9.777 1.00 4.02 N ATOM 0 H ASN A 11 -0.314 -9.854 -9.138 1.00 1.45 H new ATOM 0 HA ASN A 11 2.348 -10.799 -8.337 1.00 1.79 H new ATOM 0 HB2 ASN A 11 0.285 -12.232 -8.365 1.00 2.89 H new ATOM 0 HB3 ASN A 11 0.364 -12.193 -10.115 1.00 2.89 H new ATOM 0 HD21 ASN A 11 2.302 -15.151 -9.780 1.00 4.02 H new ATOM 0 HD22 ASN A 11 0.744 -14.449 -10.229 1.00 4.02 H new ATOM 199 N GLY A 12 3.441 -9.725 -10.345 1.00 1.41 N ATOM 200 CA GLY A 12 4.218 -9.278 -11.487 1.00 1.36 C ATOM 201 C GLY A 12 5.657 -9.022 -11.097 1.00 1.49 C ATOM 202 O GLY A 12 6.447 -9.939 -10.879 1.00 2.34 O ATOM 0 H GLY A 12 3.855 -9.486 -9.444 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.179 -10.030 -12.275 1.00 1.36 H new ATOM 0 HA3 GLY A 12 3.780 -8.367 -11.895 1.00 1.36 H new ATOM 206 N GLY A 13 5.964 -7.722 -11.000 1.00 0.97 N ATOM 207 CA GLY A 13 7.159 -7.256 -10.328 1.00 1.26 C ATOM 208 C GLY A 13 7.412 -5.772 -10.561 1.00 0.84 C ATOM 209 O GLY A 13 8.235 -5.382 -11.383 1.00 0.89 O ATOM 0 H GLY A 13 5.387 -6.976 -11.387 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.068 -7.443 -9.258 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.017 -7.828 -10.680 1.00 1.26 H new ATOM 213 N HIS A 14 6.679 -4.950 -9.819 1.00 0.78 N ATOM 214 CA HIS A 14 6.937 -3.530 -9.682 1.00 0.61 C ATOM 215 C HIS A 14 6.946 -3.195 -8.199 1.00 0.61 C ATOM 216 O HIS A 14 6.525 -4.019 -7.386 1.00 0.92 O ATOM 217 CB HIS A 14 5.894 -2.701 -10.433 1.00 0.85 C ATOM 218 CG HIS A 14 6.219 -2.480 -11.881 1.00 0.75 C ATOM 219 ND1 HIS A 14 5.988 -3.418 -12.868 1.00 1.31 N ATOM 220 CD2 HIS A 14 6.763 -1.410 -12.506 1.00 1.07 C ATOM 221 CE1 HIS A 14 6.377 -2.933 -14.033 1.00 1.17 C ATOM 222 NE2 HIS A 14 6.852 -1.718 -13.838 1.00 0.95 N ATOM 0 H HIS A 14 5.869 -5.265 -9.284 1.00 0.78 H new ATOM 0 HA HIS A 14 7.903 -3.284 -10.123 1.00 0.61 H new ATOM 0 HB2 HIS A 14 4.927 -3.199 -10.360 1.00 0.85 H new ATOM 0 HB3 HIS A 14 5.792 -1.733 -9.942 1.00 0.85 H new ATOM 0 HD2 HIS A 14 7.070 -0.485 -12.041 1.00 1.07 H new ATOM 0 HE1 HIS A 14 6.317 -3.444 -14.983 1.00 1.17 H new ATOM 0 HE2 HIS A 14 7.226 -1.106 -14.563 1.00 0.95 H new ATOM 231 N PHE A 15 7.430 -2.027 -7.841 1.00 0.49 N ATOM 232 CA PHE A 15 7.497 -1.619 -6.448 1.00 0.45 C ATOM 233 C PHE A 15 7.072 -0.169 -6.331 1.00 0.39 C ATOM 234 O PHE A 15 7.509 0.665 -7.103 1.00 0.41 O ATOM 235 CB PHE A 15 8.922 -1.804 -5.910 1.00 0.51 C ATOM 236 CG PHE A 15 9.459 -3.203 -6.078 1.00 0.83 C ATOM 237 CD1 PHE A 15 10.093 -3.581 -7.253 1.00 1.15 C ATOM 238 CD2 PHE A 15 9.329 -4.138 -5.067 1.00 1.13 C ATOM 239 CE1 PHE A 15 10.583 -4.862 -7.414 1.00 1.62 C ATOM 240 CE2 PHE A 15 9.819 -5.423 -5.221 1.00 1.61 C ATOM 241 CZ PHE A 15 10.446 -5.784 -6.396 1.00 1.82 C ATOM 0 H PHE A 15 7.787 -1.334 -8.499 1.00 0.49 H new ATOM 0 HA PHE A 15 6.825 -2.239 -5.855 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.586 -1.106 -6.420 1.00 0.51 H new ATOM 0 HB3 PHE A 15 8.938 -1.544 -4.852 1.00 0.51 H new ATOM 0 HD1 PHE A 15 10.205 -2.864 -8.053 1.00 1.15 H new ATOM 0 HD2 PHE A 15 8.839 -3.862 -4.145 1.00 1.13 H new ATOM 0 HE1 PHE A 15 11.073 -5.142 -8.335 1.00 1.62 H new ATOM 0 HE2 PHE A 15 9.711 -6.142 -4.423 1.00 1.61 H new ATOM 0 HZ PHE A 15 10.829 -6.786 -6.519 1.00 1.82 H new ATOM 251 N LEU A 16 6.278 0.140 -5.329 1.00 0.43 N ATOM 252 CA LEU A 16 5.710 1.458 -5.197 1.00 0.50 C ATOM 253 C LEU A 16 6.709 2.390 -4.522 1.00 0.48 C ATOM 254 O LEU A 16 7.376 2.038 -3.551 1.00 0.64 O ATOM 255 CB LEU A 16 4.383 1.311 -4.424 1.00 0.75 C ATOM 256 CG LEU A 16 4.029 2.345 -3.347 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.562 2.211 -2.987 1.00 2.23 C ATOM 258 CD2 LEU A 16 4.858 2.163 -2.079 1.00 1.59 C ATOM 0 H LEU A 16 6.011 -0.511 -4.590 1.00 0.43 H new ATOM 0 HA LEU A 16 5.495 1.910 -6.165 1.00 0.50 H new ATOM 0 HB2 LEU A 16 3.575 1.309 -5.156 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.386 0.330 -3.949 1.00 0.75 H new ATOM 0 HG LEU A 16 4.245 3.331 -3.757 1.00 1.35 H new ATOM 0 HD11 LEU A 16 2.307 2.944 -2.222 1.00 2.23 H new ATOM 0 HD12 LEU A 16 1.952 2.385 -3.874 1.00 2.23 H new ATOM 0 HD13 LEU A 16 2.371 1.208 -2.606 1.00 2.23 H new ATOM 0 HD21 LEU A 16 4.572 2.917 -1.346 1.00 1.59 H new ATOM 0 HD22 LEU A 16 4.679 1.170 -1.667 1.00 1.59 H new ATOM 0 HD23 LEU A 16 5.916 2.271 -2.317 1.00 1.59 H new ATOM 270 N ARG A 17 6.839 3.554 -5.128 1.00 0.40 N ATOM 271 CA ARG A 17 7.929 4.475 -4.871 1.00 0.42 C ATOM 272 C ARG A 17 7.347 5.836 -4.536 1.00 0.35 C ATOM 273 O ARG A 17 6.320 6.210 -5.109 1.00 0.37 O ATOM 274 CB ARG A 17 8.744 4.556 -6.162 1.00 0.59 C ATOM 275 CG ARG A 17 10.214 4.870 -5.997 1.00 1.00 C ATOM 276 CD ARG A 17 10.908 4.781 -7.346 1.00 1.17 C ATOM 277 NE ARG A 17 12.361 4.836 -7.238 1.00 1.46 N ATOM 278 CZ ARG A 17 13.115 5.785 -7.788 1.00 1.93 C ATOM 279 NH1 ARG A 17 12.554 6.775 -8.473 1.00 2.43 N ATOM 280 NH2 ARG A 17 14.434 5.731 -7.668 1.00 2.61 N ATOM 0 H ARG A 17 6.177 3.893 -5.826 1.00 0.40 H new ATOM 0 HA ARG A 17 8.554 4.149 -4.040 1.00 0.42 H new ATOM 0 HB2 ARG A 17 8.652 3.605 -6.687 1.00 0.59 H new ATOM 0 HB3 ARG A 17 8.299 5.318 -6.802 1.00 0.59 H new ATOM 0 HG2 ARG A 17 10.338 5.868 -5.578 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.669 4.171 -5.296 1.00 1.00 H new ATOM 0 HD2 ARG A 17 10.620 3.852 -7.837 1.00 1.17 H new ATOM 0 HD3 ARG A 17 10.564 5.597 -7.981 1.00 1.17 H new ATOM 0 HE ARG A 17 12.829 4.101 -6.708 1.00 1.46 H new ATOM 0 HH11 ARG A 17 11.540 6.811 -8.580 1.00 2.43 H new ATOM 0 HH12 ARG A 17 13.137 7.499 -8.892 1.00 2.43 H new ATOM 0 HH21 ARG A 17 14.868 4.964 -7.155 1.00 2.61 H new ATOM 0 HH22 ARG A 17 15.014 6.457 -8.088 1.00 2.61 H new ATOM 294 N ILE A 18 7.966 6.589 -3.635 1.00 0.33 N ATOM 295 CA ILE A 18 7.441 7.900 -3.325 1.00 0.31 C ATOM 296 C ILE A 18 8.130 8.993 -4.122 1.00 0.32 C ATOM 297 O ILE A 18 9.331 8.931 -4.401 1.00 0.36 O ATOM 298 CB ILE A 18 7.551 8.227 -1.827 1.00 0.36 C ATOM 299 CG1 ILE A 18 9.012 8.226 -1.355 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.719 7.246 -1.015 1.00 0.41 C ATOM 301 CD1 ILE A 18 9.653 9.600 -1.322 1.00 0.91 C ATOM 0 H ILE A 18 8.806 6.320 -3.123 1.00 0.33 H new ATOM 0 HA ILE A 18 6.388 7.869 -3.604 1.00 0.31 H new ATOM 0 HB ILE A 18 7.161 9.233 -1.671 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.060 7.791 -0.357 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.595 7.581 -2.013 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.804 7.487 0.045 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.675 7.315 -1.320 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.081 6.232 -1.187 1.00 0.41 H new ATOM 0 HD11 ILE A 18 10.684 9.513 -0.978 1.00 0.91 H new ATOM 0 HD12 ILE A 18 9.640 10.032 -2.323 1.00 0.91 H new ATOM 0 HD13 ILE A 18 9.097 10.245 -0.641 1.00 0.91 H new ATOM 313 N LEU A 19 7.335 9.969 -4.513 1.00 0.36 N ATOM 314 CA LEU A 19 7.834 11.197 -5.098 1.00 0.42 C ATOM 315 C LEU A 19 7.465 12.338 -4.158 1.00 0.41 C ATOM 316 O LEU A 19 6.386 12.326 -3.578 1.00 0.43 O ATOM 317 CB LEU A 19 7.239 11.433 -6.495 1.00 0.54 C ATOM 318 CG LEU A 19 7.697 10.460 -7.593 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.035 9.097 -7.442 1.00 1.56 C ATOM 320 CD2 LEU A 19 7.407 11.036 -8.968 1.00 1.84 C ATOM 0 H LEU A 19 6.319 9.932 -4.433 1.00 0.36 H new ATOM 0 HA LEU A 19 8.915 11.136 -5.222 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.153 11.380 -6.420 1.00 0.54 H new ATOM 0 HB3 LEU A 19 7.488 12.447 -6.808 1.00 0.54 H new ATOM 0 HG LEU A 19 8.773 10.323 -7.486 1.00 0.96 H new ATOM 0 HD11 LEU A 19 7.382 8.434 -8.235 1.00 1.56 H new ATOM 0 HD12 LEU A 19 7.296 8.671 -6.473 1.00 1.56 H new ATOM 0 HD13 LEU A 19 5.953 9.209 -7.510 1.00 1.56 H new ATOM 0 HD21 LEU A 19 7.738 10.334 -9.734 1.00 1.84 H new ATOM 0 HD22 LEU A 19 6.336 11.208 -9.072 1.00 1.84 H new ATOM 0 HD23 LEU A 19 7.939 11.980 -9.087 1.00 1.84 H new ATOM 332 N PRO A 20 8.313 13.364 -4.029 1.00 0.54 N ATOM 333 CA PRO A 20 8.191 14.352 -2.944 1.00 0.67 C ATOM 334 C PRO A 20 7.033 15.327 -3.136 1.00 0.68 C ATOM 335 O PRO A 20 6.834 16.244 -2.335 1.00 0.84 O ATOM 336 CB PRO A 20 9.514 15.123 -3.018 1.00 0.89 C ATOM 337 CG PRO A 20 10.395 14.336 -3.932 1.00 0.96 C ATOM 338 CD PRO A 20 9.474 13.636 -4.881 1.00 0.70 C ATOM 0 HA PRO A 20 7.996 13.860 -1.991 1.00 0.67 H new ATOM 0 HB2 PRO A 20 9.357 16.132 -3.399 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.964 15.222 -2.030 1.00 0.89 H new ATOM 0 HG2 PRO A 20 11.086 14.988 -4.467 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.999 13.621 -3.374 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.216 14.261 -5.736 1.00 0.70 H new ATOM 0 HD3 PRO A 20 9.914 12.721 -5.277 1.00 0.70 H new ATOM 346 N ASP A 21 6.259 15.115 -4.181 1.00 0.62 N ATOM 347 CA ASP A 21 5.087 15.941 -4.438 1.00 0.78 C ATOM 348 C ASP A 21 3.838 15.269 -3.874 1.00 0.75 C ATOM 349 O ASP A 21 2.863 15.934 -3.527 1.00 0.99 O ATOM 350 CB ASP A 21 4.911 16.193 -5.936 1.00 0.94 C ATOM 351 CG ASP A 21 4.407 14.975 -6.679 1.00 1.51 C ATOM 352 OD1 ASP A 21 5.189 14.014 -6.854 1.00 2.30 O ATOM 353 OD2 ASP A 21 3.232 14.976 -7.104 1.00 1.71 O ATOM 0 H ASP A 21 6.417 14.379 -4.869 1.00 0.62 H new ATOM 0 HA ASP A 21 5.234 16.901 -3.944 1.00 0.78 H new ATOM 0 HB2 ASP A 21 4.212 17.017 -6.082 1.00 0.94 H new ATOM 0 HB3 ASP A 21 5.865 16.504 -6.362 1.00 0.94 H new ATOM 358 N GLY A 22 3.892 13.947 -3.763 1.00 0.59 N ATOM 359 CA GLY A 22 2.752 13.197 -3.272 1.00 0.72 C ATOM 360 C GLY A 22 2.275 12.136 -4.247 1.00 0.61 C ATOM 361 O GLY A 22 1.099 12.101 -4.607 1.00 0.81 O ATOM 0 H GLY A 22 4.705 13.381 -4.004 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.016 12.722 -2.327 1.00 0.72 H new ATOM 0 HA3 GLY A 22 1.933 13.886 -3.064 1.00 0.72 H new ATOM 365 N THR A 23 3.183 11.265 -4.670 1.00 0.43 N ATOM 366 CA THR A 23 2.851 10.175 -5.543 1.00 0.39 C ATOM 367 C THR A 23 3.391 8.904 -4.968 1.00 0.40 C ATOM 368 O THR A 23 4.486 8.895 -4.402 1.00 0.46 O ATOM 369 CB THR A 23 3.529 10.298 -6.891 1.00 0.44 C ATOM 370 OG1 THR A 23 3.725 11.674 -7.242 1.00 0.49 O ATOM 371 CG2 THR A 23 2.698 9.627 -7.956 1.00 0.59 C ATOM 0 H THR A 23 4.168 11.305 -4.410 1.00 0.43 H new ATOM 0 HA THR A 23 1.766 10.184 -5.650 1.00 0.39 H new ATOM 0 HB THR A 23 4.501 9.809 -6.823 1.00 0.44 H new ATOM 0 HG1 THR A 23 4.166 11.729 -8.116 1.00 0.49 H new ATOM 0 HG21 THR A 23 3.197 9.723 -8.921 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.578 8.571 -7.713 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.718 10.102 -8.006 1.00 0.59 H new ATOM 379 N VAL A 24 2.659 7.836 -5.102 1.00 0.47 N ATOM 380 CA VAL A 24 3.238 6.557 -4.841 1.00 0.56 C ATOM 381 C VAL A 24 2.851 5.570 -5.962 1.00 0.42 C ATOM 382 O VAL A 24 1.707 5.146 -6.102 1.00 0.50 O ATOM 383 CB VAL A 24 2.853 6.099 -3.420 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.589 5.270 -3.400 1.00 0.97 C ATOM 385 CG2 VAL A 24 4.017 5.395 -2.754 1.00 1.61 C ATOM 0 H VAL A 24 1.679 7.826 -5.385 1.00 0.47 H new ATOM 0 HA VAL A 24 4.327 6.606 -4.856 1.00 0.56 H new ATOM 0 HB VAL A 24 2.626 6.991 -2.836 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.364 4.974 -2.375 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.762 5.858 -3.798 1.00 0.97 H new ATOM 0 HG13 VAL A 24 1.728 4.379 -4.013 1.00 0.97 H new ATOM 0 HG21 VAL A 24 3.726 5.079 -1.752 1.00 1.61 H new ATOM 0 HG22 VAL A 24 4.299 4.522 -3.342 1.00 1.61 H new ATOM 0 HG23 VAL A 24 4.865 6.077 -2.688 1.00 1.61 H new ATOM 395 N ASP A 25 3.797 5.289 -6.832 1.00 0.37 N ATOM 396 CA ASP A 25 3.567 4.353 -7.936 1.00 0.37 C ATOM 397 C ASP A 25 4.676 3.340 -8.075 1.00 0.39 C ATOM 398 O ASP A 25 5.750 3.512 -7.519 1.00 0.43 O ATOM 399 CB ASP A 25 3.334 5.087 -9.260 1.00 0.48 C ATOM 400 CG ASP A 25 4.495 5.962 -9.700 1.00 0.80 C ATOM 401 OD1 ASP A 25 5.567 5.408 -10.026 1.00 1.10 O ATOM 402 OD2 ASP A 25 4.362 7.202 -9.672 1.00 1.16 O ATOM 0 H ASP A 25 4.735 5.689 -6.805 1.00 0.37 H new ATOM 0 HA ASP A 25 2.658 3.805 -7.686 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.132 4.352 -10.039 1.00 0.48 H new ATOM 0 HB3 ASP A 25 2.442 5.706 -9.167 1.00 0.48 H new ATOM 407 N GLY A 26 4.407 2.276 -8.826 1.00 0.38 N ATOM 408 CA GLY A 26 5.401 1.239 -8.963 1.00 0.40 C ATOM 409 C GLY A 26 6.418 1.467 -10.053 1.00 0.42 C ATOM 410 O GLY A 26 6.128 1.920 -11.155 1.00 0.52 O ATOM 0 H GLY A 26 3.535 2.119 -9.331 1.00 0.38 H new ATOM 0 HA2 GLY A 26 5.926 1.133 -8.014 1.00 0.40 H new ATOM 0 HA3 GLY A 26 4.893 0.293 -9.153 1.00 0.40 H new ATOM 414 N THR A 27 7.607 1.092 -9.684 1.00 0.42 N ATOM 415 CA THR A 27 8.809 1.142 -10.470 1.00 0.50 C ATOM 416 C THR A 27 9.581 -0.092 -10.108 1.00 0.54 C ATOM 417 O THR A 27 9.437 -0.566 -8.983 1.00 0.56 O ATOM 418 CB THR A 27 9.619 2.409 -10.129 1.00 0.57 C ATOM 419 OG1 THR A 27 8.968 3.570 -10.661 1.00 0.67 O ATOM 420 CG2 THR A 27 11.039 2.314 -10.652 1.00 0.70 C ATOM 0 H THR A 27 7.777 0.713 -8.752 1.00 0.42 H new ATOM 0 HA THR A 27 8.594 1.180 -11.538 1.00 0.50 H new ATOM 0 HB THR A 27 9.669 2.495 -9.044 1.00 0.57 H new ATOM 0 HG1 THR A 27 9.490 4.369 -10.437 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.583 3.223 -10.395 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.536 1.454 -10.202 1.00 0.70 H new ATOM 0 HG23 THR A 27 11.021 2.196 -11.735 1.00 0.70 H new ATOM 428 N ARG A 28 10.366 -0.676 -10.995 1.00 0.64 N ATOM 429 CA ARG A 28 11.134 -1.772 -10.494 1.00 0.71 C ATOM 430 C ARG A 28 12.347 -1.167 -9.832 1.00 0.65 C ATOM 431 O ARG A 28 13.205 -0.543 -10.456 1.00 0.72 O ATOM 432 CB ARG A 28 11.531 -2.780 -11.584 1.00 0.91 C ATOM 433 CG ARG A 28 12.407 -2.214 -12.690 1.00 1.56 C ATOM 434 CD ARG A 28 13.265 -3.295 -13.324 1.00 1.84 C ATOM 435 NE ARG A 28 14.184 -3.898 -12.356 1.00 2.32 N ATOM 436 CZ ARG A 28 15.411 -4.332 -12.653 1.00 2.92 C ATOM 437 NH1 ARG A 28 15.886 -4.223 -13.887 1.00 3.18 N ATOM 438 NH2 ARG A 28 16.173 -4.863 -11.707 1.00 3.76 N ATOM 0 H ARG A 28 10.478 -0.431 -11.979 1.00 0.64 H new ATOM 0 HA ARG A 28 10.539 -2.353 -9.790 1.00 0.71 H new ATOM 0 HB2 ARG A 28 12.055 -3.613 -11.115 1.00 0.91 H new ATOM 0 HB3 ARG A 28 10.624 -3.186 -12.031 1.00 0.91 H new ATOM 0 HG2 ARG A 28 11.780 -1.751 -13.452 1.00 1.56 H new ATOM 0 HG3 ARG A 28 13.047 -1.430 -12.285 1.00 1.56 H new ATOM 0 HD2 ARG A 28 12.623 -4.068 -13.746 1.00 1.84 H new ATOM 0 HD3 ARG A 28 13.835 -2.869 -14.150 1.00 1.84 H new ATOM 0 HE ARG A 28 13.866 -3.993 -11.392 1.00 2.32 H new ATOM 0 HH11 ARG A 28 15.312 -3.804 -14.619 1.00 3.18 H new ATOM 0 HH12 ARG A 28 16.825 -4.558 -14.103 1.00 3.18 H new ATOM 0 HH21 ARG A 28 15.822 -4.940 -10.752 1.00 3.76 H new ATOM 0 HH22 ARG A 28 17.111 -5.195 -11.934 1.00 3.76 H new ATOM 452 N ASP A 29 12.363 -1.342 -8.540 1.00 0.68 N ATOM 453 CA ASP A 29 13.367 -0.809 -7.692 1.00 0.69 C ATOM 454 C ASP A 29 13.669 -1.835 -6.631 1.00 0.81 C ATOM 455 O ASP A 29 12.918 -2.779 -6.410 1.00 1.48 O ATOM 456 CB ASP A 29 12.926 0.517 -7.071 1.00 1.04 C ATOM 457 CG ASP A 29 14.095 1.453 -6.858 1.00 1.58 C ATOM 458 OD1 ASP A 29 15.162 0.989 -6.400 1.00 1.84 O ATOM 459 OD2 ASP A 29 13.948 2.664 -7.129 1.00 2.20 O ATOM 0 H ASP A 29 11.651 -1.877 -8.043 1.00 0.68 H new ATOM 0 HA ASP A 29 14.266 -0.595 -8.271 1.00 0.69 H new ATOM 0 HB2 ASP A 29 12.191 0.995 -7.718 1.00 1.04 H new ATOM 0 HB3 ASP A 29 12.435 0.326 -6.117 1.00 1.04 H new ATOM 464 N ARG A 30 14.744 -1.612 -5.968 1.00 0.62 N ATOM 465 CA ARG A 30 15.450 -2.617 -5.225 1.00 0.91 C ATOM 466 C ARG A 30 14.906 -2.809 -3.807 1.00 1.03 C ATOM 467 O ARG A 30 15.524 -3.502 -2.995 1.00 1.18 O ATOM 468 CB ARG A 30 16.851 -2.080 -5.147 1.00 1.63 C ATOM 469 CG ARG A 30 17.875 -3.025 -4.541 1.00 2.20 C ATOM 470 CD ARG A 30 17.987 -4.286 -5.381 1.00 2.58 C ATOM 471 NE ARG A 30 18.863 -5.289 -4.788 1.00 3.27 N ATOM 472 CZ ARG A 30 18.962 -6.537 -5.245 1.00 3.80 C ATOM 473 NH1 ARG A 30 18.273 -6.911 -6.316 1.00 3.96 N ATOM 474 NH2 ARG A 30 19.758 -7.409 -4.640 1.00 4.57 N ATOM 0 H ARG A 30 15.182 -0.692 -5.919 1.00 0.62 H new ATOM 0 HA ARG A 30 15.361 -3.591 -5.706 1.00 0.91 H new ATOM 0 HB2 ARG A 30 17.177 -1.813 -6.152 1.00 1.63 H new ATOM 0 HB3 ARG A 30 16.838 -1.161 -4.562 1.00 1.63 H new ATOM 0 HG2 ARG A 30 18.845 -2.532 -4.481 1.00 2.20 H new ATOM 0 HG3 ARG A 30 17.585 -3.282 -3.522 1.00 2.20 H new ATOM 0 HD2 ARG A 30 16.994 -4.714 -5.518 1.00 2.58 H new ATOM 0 HD3 ARG A 30 18.361 -4.025 -6.371 1.00 2.58 H new ATOM 0 HE ARG A 30 19.429 -5.022 -3.982 1.00 3.27 H new ATOM 0 HH11 ARG A 30 17.666 -6.243 -6.791 1.00 3.96 H new ATOM 0 HH12 ARG A 30 18.350 -7.867 -6.664 1.00 3.96 H new ATOM 0 HH21 ARG A 30 20.297 -7.125 -3.822 1.00 4.57 H new ATOM 0 HH22 ARG A 30 19.831 -8.363 -4.993 1.00 4.57 H new ATOM 488 N SER A 31 13.739 -2.238 -3.526 1.00 1.72 N ATOM 489 CA SER A 31 13.339 -1.979 -2.149 1.00 2.60 C ATOM 490 C SER A 31 14.351 -0.993 -1.587 1.00 2.41 C ATOM 491 O SER A 31 14.815 -1.099 -0.450 1.00 2.90 O ATOM 492 CB SER A 31 13.288 -3.268 -1.318 1.00 3.49 C ATOM 493 OG SER A 31 12.859 -3.012 0.006 1.00 4.00 O ATOM 0 H SER A 31 13.059 -1.948 -4.228 1.00 1.72 H new ATOM 0 HA SER A 31 12.330 -1.568 -2.111 1.00 2.60 H new ATOM 0 HB2 SER A 31 12.611 -3.980 -1.790 1.00 3.49 H new ATOM 0 HB3 SER A 31 14.275 -3.730 -1.299 1.00 3.49 H new ATOM 0 HG SER A 31 13.362 -2.255 0.372 1.00 4.00 H new ATOM 499 N ASP A 32 14.673 -0.033 -2.440 1.00 1.76 N ATOM 500 CA ASP A 32 15.732 0.911 -2.229 1.00 1.59 C ATOM 501 C ASP A 32 15.301 1.966 -1.244 1.00 1.18 C ATOM 502 O ASP A 32 14.281 1.842 -0.564 1.00 1.25 O ATOM 503 CB ASP A 32 16.147 1.567 -3.556 1.00 1.59 C ATOM 504 CG ASP A 32 15.292 2.772 -3.921 1.00 1.92 C ATOM 505 OD1 ASP A 32 14.052 2.673 -3.860 1.00 2.37 O ATOM 506 OD2 ASP A 32 15.868 3.841 -4.220 1.00 2.08 O ATOM 0 H ASP A 32 14.182 0.105 -3.323 1.00 1.76 H new ATOM 0 HA ASP A 32 16.591 0.377 -1.823 1.00 1.59 H new ATOM 0 HB2 ASP A 32 17.190 1.876 -3.491 1.00 1.59 H new ATOM 0 HB3 ASP A 32 16.083 0.828 -4.355 1.00 1.59 H new ATOM 511 N GLN A 33 16.098 3.000 -1.194 1.00 1.02 N ATOM 512 CA GLN A 33 15.876 4.146 -0.350 1.00 0.76 C ATOM 513 C GLN A 33 14.556 4.876 -0.670 1.00 0.55 C ATOM 514 O GLN A 33 14.322 5.966 -0.166 1.00 0.72 O ATOM 515 CB GLN A 33 17.023 5.095 -0.621 1.00 1.03 C ATOM 516 CG GLN A 33 18.388 4.510 -0.301 1.00 1.73 C ATOM 517 CD GLN A 33 19.526 5.416 -0.718 1.00 2.18 C ATOM 518 OE1 GLN A 33 19.996 6.241 0.063 1.00 2.42 O ATOM 519 NE2 GLN A 33 19.971 5.279 -1.957 1.00 2.92 N ATOM 0 H GLN A 33 16.946 3.071 -1.756 1.00 1.02 H new ATOM 0 HA GLN A 33 15.816 3.820 0.688 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.000 5.388 -1.671 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.879 6.002 -0.033 1.00 1.03 H new ATOM 0 HG2 GLN A 33 18.455 4.320 0.770 1.00 1.73 H new ATOM 0 HG3 GLN A 33 18.493 3.548 -0.803 1.00 1.73 H new ATOM 0 HE21 GLN A 33 19.554 4.582 -2.574 1.00 2.92 H new ATOM 0 HE22 GLN A 33 20.731 5.870 -2.294 1.00 2.92 H new ATOM 528 N HIS A 34 13.689 4.278 -1.487 1.00 0.44 N ATOM 529 CA HIS A 34 12.398 4.870 -1.796 1.00 0.36 C ATOM 530 C HIS A 34 11.249 3.902 -1.517 1.00 0.32 C ATOM 531 O HIS A 34 10.126 4.341 -1.277 1.00 0.37 O ATOM 532 CB HIS A 34 12.340 5.305 -3.263 1.00 0.57 C ATOM 533 CG HIS A 34 13.319 6.376 -3.624 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.580 6.109 -4.108 1.00 1.54 N ATOM 535 CD2 HIS A 34 13.213 7.723 -3.579 1.00 1.29 C ATOM 536 CE1 HIS A 34 15.207 7.244 -4.344 1.00 1.61 C ATOM 537 NE2 HIS A 34 14.400 8.240 -4.033 1.00 1.34 N ATOM 0 H HIS A 34 13.862 3.383 -1.945 1.00 0.44 H new ATOM 0 HA HIS A 34 12.285 5.740 -1.149 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.520 4.436 -3.895 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.333 5.658 -3.486 1.00 0.57 H new ATOM 0 HD1 HIS A 34 14.968 5.178 -4.260 1.00 1.54 H new ATOM 0 HD2 HIS A 34 12.354 8.287 -3.247 1.00 1.29 H new ATOM 0 HE1 HIS A 34 16.212 7.342 -4.727 1.00 1.61 H new ATOM 546 N ILE A 35 11.511 2.587 -1.583 1.00 0.38 N ATOM 547 CA ILE A 35 10.434 1.595 -1.467 1.00 0.45 C ATOM 548 C ILE A 35 10.162 1.125 -0.015 1.00 0.46 C ATOM 549 O ILE A 35 9.647 0.025 0.181 1.00 0.63 O ATOM 550 CB ILE A 35 10.733 0.358 -2.360 1.00 0.63 C ATOM 551 CG1 ILE A 35 11.391 0.787 -3.678 1.00 1.16 C ATOM 552 CG2 ILE A 35 9.450 -0.414 -2.658 1.00 1.51 C ATOM 553 CD1 ILE A 35 10.524 1.690 -4.524 1.00 2.04 C ATOM 0 H ILE A 35 12.442 2.192 -1.714 1.00 0.38 H new ATOM 0 HA ILE A 35 9.532 2.104 -1.808 1.00 0.45 H new ATOM 0 HB ILE A 35 11.419 -0.290 -1.815 1.00 0.63 H new ATOM 0 HG12 ILE A 35 12.327 1.300 -3.456 1.00 1.16 H new ATOM 0 HG13 ILE A 35 11.644 -0.103 -4.254 1.00 1.16 H new ATOM 0 HG21 ILE A 35 9.681 -1.276 -3.284 1.00 1.51 H new ATOM 0 HG22 ILE A 35 9.004 -0.754 -1.723 1.00 1.51 H new ATOM 0 HG23 ILE A 35 8.747 0.236 -3.180 1.00 1.51 H new ATOM 0 HD11 ILE A 35 11.055 1.952 -5.439 1.00 2.04 H new ATOM 0 HD12 ILE A 35 9.598 1.173 -4.777 1.00 2.04 H new ATOM 0 HD13 ILE A 35 10.292 2.598 -3.967 1.00 2.04 H new ATOM 565 N GLN A 36 10.487 1.911 1.016 1.00 0.38 N ATOM 566 CA GLN A 36 10.350 1.364 2.378 1.00 0.37 C ATOM 567 C GLN A 36 9.245 2.025 3.222 1.00 0.35 C ATOM 568 O GLN A 36 9.430 3.075 3.852 1.00 0.35 O ATOM 569 CB GLN A 36 11.691 1.434 3.106 1.00 0.43 C ATOM 570 CG GLN A 36 12.165 2.840 3.436 1.00 0.52 C ATOM 571 CD GLN A 36 13.625 3.026 3.092 1.00 0.71 C ATOM 572 OE1 GLN A 36 14.510 2.761 3.903 1.00 1.17 O ATOM 573 NE2 GLN A 36 13.893 3.473 1.889 1.00 1.29 N ATOM 0 H GLN A 36 10.827 2.870 0.950 1.00 0.38 H new ATOM 0 HA GLN A 36 10.040 0.326 2.254 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.616 0.864 4.032 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.448 0.945 2.492 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.565 3.566 2.887 1.00 0.52 H new ATOM 0 HG3 GLN A 36 12.012 3.037 4.497 1.00 0.52 H new ATOM 0 HE21 GLN A 36 13.133 3.683 1.242 1.00 1.29 H new ATOM 0 HE22 GLN A 36 14.861 3.611 1.600 1.00 1.29 H new ATOM 582 N LEU A 37 8.115 1.340 3.318 1.00 0.36 N ATOM 583 CA LEU A 37 7.009 1.804 4.129 1.00 0.35 C ATOM 584 C LEU A 37 6.778 0.864 5.274 1.00 0.37 C ATOM 585 O LEU A 37 6.794 -0.345 5.121 1.00 0.48 O ATOM 586 CB LEU A 37 5.712 1.968 3.338 1.00 0.38 C ATOM 587 CG LEU A 37 5.373 0.874 2.314 1.00 0.45 C ATOM 588 CD1 LEU A 37 3.890 0.908 1.983 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.181 1.046 1.035 1.00 0.94 C ATOM 0 H LEU A 37 7.944 0.456 2.839 1.00 0.36 H new ATOM 0 HA LEU A 37 7.290 2.791 4.498 1.00 0.35 H new ATOM 0 HB2 LEU A 37 4.888 2.033 4.049 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.755 2.922 2.812 1.00 0.38 H new ATOM 0 HG LEU A 37 5.628 -0.088 2.758 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.661 0.128 1.256 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.311 0.739 2.891 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.633 1.881 1.564 1.00 0.94 H new ATOM 0 HD21 LEU A 37 5.919 0.257 0.330 1.00 0.94 H new ATOM 0 HD22 LEU A 37 5.959 2.017 0.592 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.245 0.988 1.266 1.00 0.94 H new ATOM 601 N GLN A 38 6.509 1.418 6.410 1.00 0.34 N ATOM 602 CA GLN A 38 6.424 0.626 7.603 1.00 0.39 C ATOM 603 C GLN A 38 4.975 0.195 7.816 1.00 0.40 C ATOM 604 O GLN A 38 4.103 0.991 8.171 1.00 0.41 O ATOM 605 CB GLN A 38 7.041 1.421 8.758 1.00 0.45 C ATOM 606 CG GLN A 38 6.392 1.221 10.117 1.00 0.93 C ATOM 607 CD GLN A 38 7.127 1.969 11.209 1.00 1.37 C ATOM 608 OE1 GLN A 38 6.823 3.124 11.498 1.00 2.05 O ATOM 609 NE2 GLN A 38 8.108 1.321 11.814 1.00 2.12 N ATOM 0 H GLN A 38 6.343 2.416 6.543 1.00 0.34 H new ATOM 0 HA GLN A 38 6.995 -0.299 7.530 1.00 0.39 H new ATOM 0 HB2 GLN A 38 8.095 1.154 8.836 1.00 0.45 H new ATOM 0 HB3 GLN A 38 6.999 2.481 8.508 1.00 0.45 H new ATOM 0 HG2 GLN A 38 5.357 1.560 10.078 1.00 0.93 H new ATOM 0 HG3 GLN A 38 6.371 0.158 10.356 1.00 0.93 H new ATOM 0 HE21 GLN A 38 8.329 0.362 11.544 1.00 2.12 H new ATOM 0 HE22 GLN A 38 8.644 1.780 12.551 1.00 2.12 H new ATOM 618 N LEU A 39 4.743 -1.089 7.556 1.00 0.43 N ATOM 619 CA LEU A 39 3.403 -1.653 7.490 1.00 0.46 C ATOM 620 C LEU A 39 3.104 -2.445 8.757 1.00 0.55 C ATOM 621 O LEU A 39 3.513 -3.601 8.888 1.00 0.77 O ATOM 622 CB LEU A 39 3.299 -2.560 6.248 1.00 0.61 C ATOM 623 CG LEU A 39 1.884 -2.837 5.718 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.133 -3.807 6.619 1.00 1.75 C ATOM 625 CD2 LEU A 39 1.108 -1.537 5.579 1.00 1.45 C ATOM 0 H LEU A 39 5.484 -1.768 7.385 1.00 0.43 H new ATOM 0 HA LEU A 39 2.671 -0.850 7.411 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.881 -2.107 5.445 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.768 -3.515 6.483 1.00 0.61 H new ATOM 0 HG LEU A 39 1.980 -3.299 4.736 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.136 -3.981 6.215 1.00 1.75 H new ATOM 0 HD12 LEU A 39 1.675 -4.752 6.668 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.050 -3.384 7.620 1.00 1.75 H new ATOM 0 HD21 LEU A 39 0.107 -1.749 5.202 1.00 1.45 H new ATOM 0 HD22 LEU A 39 1.034 -1.051 6.552 1.00 1.45 H new ATOM 0 HD23 LEU A 39 1.625 -0.877 4.883 1.00 1.45 H new ATOM 637 N SER A 40 2.416 -1.815 9.690 1.00 0.46 N ATOM 638 CA SER A 40 2.068 -2.463 10.948 1.00 0.56 C ATOM 639 C SER A 40 0.568 -2.727 11.040 1.00 0.42 C ATOM 640 O SER A 40 -0.221 -2.126 10.310 1.00 0.37 O ATOM 641 CB SER A 40 2.510 -1.586 12.114 1.00 0.71 C ATOM 642 OG SER A 40 3.872 -1.216 11.978 1.00 1.38 O ATOM 0 H SER A 40 2.085 -0.854 9.604 1.00 0.46 H new ATOM 0 HA SER A 40 2.583 -3.423 10.991 1.00 0.56 H new ATOM 0 HB2 SER A 40 1.888 -0.692 12.158 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.366 -2.121 13.053 1.00 0.71 H new ATOM 0 HG SER A 40 4.135 -0.652 12.735 1.00 1.38 H new ATOM 648 N ALA A 41 0.186 -3.629 11.934 1.00 0.56 N ATOM 649 CA ALA A 41 -1.212 -3.825 12.293 1.00 0.56 C ATOM 650 C ALA A 41 -1.375 -3.467 13.766 1.00 0.64 C ATOM 651 O ALA A 41 -1.079 -4.270 14.655 1.00 0.84 O ATOM 652 CB ALA A 41 -1.646 -5.262 12.012 1.00 0.89 C ATOM 0 H ALA A 41 0.833 -4.243 12.429 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.852 -3.181 11.690 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.693 -5.386 12.287 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.522 -5.479 10.951 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.033 -5.948 12.597 1.00 0.89 H new ATOM 658 N GLU A 42 -1.831 -2.249 14.016 1.00 0.92 N ATOM 659 CA GLU A 42 -1.767 -1.680 15.351 1.00 1.34 C ATOM 660 C GLU A 42 -3.097 -1.818 16.080 1.00 1.34 C ATOM 661 O GLU A 42 -3.131 -2.026 17.292 1.00 1.64 O ATOM 662 CB GLU A 42 -1.362 -0.207 15.270 1.00 1.88 C ATOM 663 CG GLU A 42 -0.460 0.233 16.403 1.00 2.46 C ATOM 664 CD GLU A 42 0.967 -0.267 16.241 1.00 2.62 C ATOM 665 OE1 GLU A 42 1.252 -1.427 16.608 1.00 2.70 O ATOM 666 OE2 GLU A 42 1.813 0.508 15.743 1.00 3.12 O ATOM 0 H GLU A 42 -2.248 -1.638 13.314 1.00 0.92 H new ATOM 0 HA GLU A 42 -1.017 -2.232 15.918 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.855 -0.029 14.322 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.261 0.410 15.271 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -0.456 1.322 16.458 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.864 -0.132 17.347 1.00 2.46 H new ATOM 673 N SER A 43 -4.189 -1.695 15.346 1.00 1.09 N ATOM 674 CA SER A 43 -5.507 -1.833 15.938 1.00 1.14 C ATOM 675 C SER A 43 -6.155 -3.109 15.453 1.00 1.00 C ATOM 676 O SER A 43 -5.658 -3.743 14.520 1.00 1.09 O ATOM 677 CB SER A 43 -6.376 -0.630 15.583 1.00 1.24 C ATOM 678 OG SER A 43 -5.698 0.580 15.874 1.00 1.59 O ATOM 0 H SER A 43 -4.189 -1.501 14.345 1.00 1.09 H new ATOM 0 HA SER A 43 -5.405 -1.877 17.022 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.636 -0.662 14.525 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.311 -0.673 16.142 1.00 1.24 H new ATOM 0 HG SER A 43 -5.564 1.087 15.046 1.00 1.59 H new ATOM 684 N VAL A 44 -7.250 -3.499 16.083 1.00 0.92 N ATOM 685 CA VAL A 44 -7.965 -4.690 15.663 1.00 0.91 C ATOM 686 C VAL A 44 -8.409 -4.565 14.203 1.00 0.77 C ATOM 687 O VAL A 44 -9.165 -3.666 13.827 1.00 0.79 O ATOM 688 CB VAL A 44 -9.182 -4.974 16.587 1.00 1.07 C ATOM 689 CG1 VAL A 44 -10.128 -3.782 16.644 1.00 1.85 C ATOM 690 CG2 VAL A 44 -9.927 -6.219 16.134 1.00 1.83 C ATOM 0 H VAL A 44 -7.660 -3.013 16.880 1.00 0.92 H new ATOM 0 HA VAL A 44 -7.283 -5.536 15.745 1.00 0.91 H new ATOM 0 HB VAL A 44 -8.796 -5.146 17.592 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -10.968 -4.015 17.299 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -9.596 -2.913 17.031 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -10.499 -3.563 15.643 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -10.774 -6.397 16.796 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -10.286 -6.077 15.115 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -9.255 -7.077 16.166 1.00 1.83 H new ATOM 700 N GLY A 45 -7.861 -5.440 13.372 1.00 0.73 N ATOM 701 CA GLY A 45 -8.265 -5.523 11.984 1.00 0.67 C ATOM 702 C GLY A 45 -7.743 -4.368 11.160 1.00 0.54 C ATOM 703 O GLY A 45 -7.978 -4.297 9.954 1.00 0.56 O ATOM 0 H GLY A 45 -7.133 -6.103 13.640 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -7.905 -6.460 11.559 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.353 -5.544 11.926 1.00 0.67 H new ATOM 707 N GLU A 46 -7.036 -3.455 11.802 1.00 0.56 N ATOM 708 CA GLU A 46 -6.574 -2.274 11.130 1.00 0.50 C ATOM 709 C GLU A 46 -5.087 -2.324 10.835 1.00 0.40 C ATOM 710 O GLU A 46 -4.275 -2.742 11.661 1.00 0.48 O ATOM 711 CB GLU A 46 -6.941 -1.033 11.937 1.00 0.75 C ATOM 712 CG GLU A 46 -5.869 0.033 11.943 1.00 1.02 C ATOM 713 CD GLU A 46 -6.346 1.331 12.554 1.00 1.35 C ATOM 714 OE1 GLU A 46 -7.334 1.899 12.044 1.00 1.80 O ATOM 715 OE2 GLU A 46 -5.748 1.780 13.552 1.00 1.67 O ATOM 0 H GLU A 46 -6.774 -3.517 12.786 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.077 -2.223 10.164 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -7.860 -0.608 11.534 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.151 -1.329 12.965 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -5.004 -0.330 12.498 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -5.538 0.216 10.921 1.00 1.02 H new ATOM 722 N VAL A 47 -4.755 -1.893 9.635 1.00 0.33 N ATOM 723 CA VAL A 47 -3.377 -1.766 9.208 1.00 0.33 C ATOM 724 C VAL A 47 -2.992 -0.308 9.092 1.00 0.33 C ATOM 725 O VAL A 47 -3.799 0.534 8.692 1.00 0.36 O ATOM 726 CB VAL A 47 -3.075 -2.466 7.877 1.00 0.40 C ATOM 727 CG1 VAL A 47 -3.074 -3.974 8.053 1.00 0.46 C ATOM 728 CG2 VAL A 47 -4.067 -2.046 6.803 1.00 0.48 C ATOM 0 H VAL A 47 -5.436 -1.620 8.926 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.785 -2.263 9.977 1.00 0.33 H new ATOM 0 HB VAL A 47 -2.081 -2.160 7.552 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.858 -4.452 7.097 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.312 -4.255 8.780 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -4.052 -4.299 8.408 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.830 -2.557 5.870 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -5.077 -2.312 7.116 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -4.006 -0.968 6.653 1.00 0.48 H new ATOM 738 N TYR A 48 -1.767 -0.018 9.461 1.00 0.34 N ATOM 739 CA TYR A 48 -1.278 1.339 9.459 1.00 0.36 C ATOM 740 C TYR A 48 -0.130 1.431 8.471 1.00 0.38 C ATOM 741 O TYR A 48 0.861 0.703 8.582 1.00 0.39 O ATOM 742 CB TYR A 48 -0.803 1.709 10.870 1.00 0.41 C ATOM 743 CG TYR A 48 -0.779 3.195 11.178 1.00 0.55 C ATOM 744 CD1 TYR A 48 -0.380 4.132 10.230 1.00 0.91 C ATOM 745 CD2 TYR A 48 -1.141 3.654 12.438 1.00 1.47 C ATOM 746 CE1 TYR A 48 -0.345 5.481 10.531 1.00 1.00 C ATOM 747 CE2 TYR A 48 -1.111 5.002 12.744 1.00 1.79 C ATOM 748 CZ TYR A 48 -0.713 5.909 11.788 1.00 1.23 C ATOM 749 OH TYR A 48 -0.672 7.251 12.092 1.00 1.60 O ATOM 0 H TYR A 48 -1.085 -0.711 9.769 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.067 2.032 9.166 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.450 1.215 11.595 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.201 1.309 11.014 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -0.093 3.800 9.243 1.00 0.91 H new ATOM 0 HD2 TYR A 48 -1.451 2.946 13.192 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -0.031 6.196 9.785 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -1.398 5.342 13.728 1.00 1.79 H new ATOM 0 HH TYR A 48 -0.963 7.386 13.018 1.00 1.60 H new ATOM 759 N ILE A 49 -0.272 2.323 7.506 1.00 0.42 N ATOM 760 CA ILE A 49 0.700 2.460 6.444 1.00 0.44 C ATOM 761 C ILE A 49 1.546 3.694 6.685 1.00 0.42 C ATOM 762 O ILE A 49 1.118 4.823 6.450 1.00 0.52 O ATOM 763 CB ILE A 49 0.021 2.532 5.061 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.846 1.284 4.851 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.071 2.650 3.962 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.510 1.211 3.496 1.00 1.20 C ATOM 0 H ILE A 49 -1.060 2.967 7.439 1.00 0.42 H new ATOM 0 HA ILE A 49 1.339 1.577 6.448 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.615 3.416 5.017 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.226 0.398 4.987 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.616 1.256 5.622 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.578 2.700 2.991 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.660 3.554 4.117 1.00 0.58 H new ATOM 0 HG23 ILE A 49 1.727 1.780 3.991 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -2.103 0.299 3.430 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -2.159 2.077 3.362 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -0.748 1.205 2.717 1.00 1.20 H new ATOM 778 N LYS A 50 2.741 3.460 7.179 1.00 0.36 N ATOM 779 CA LYS A 50 3.617 4.528 7.601 1.00 0.37 C ATOM 780 C LYS A 50 4.778 4.688 6.645 1.00 0.35 C ATOM 781 O LYS A 50 5.226 3.729 6.026 1.00 0.36 O ATOM 782 CB LYS A 50 4.176 4.242 8.999 1.00 0.44 C ATOM 783 CG LYS A 50 3.123 4.089 10.082 1.00 0.93 C ATOM 784 CD LYS A 50 3.767 3.761 11.420 1.00 0.88 C ATOM 785 CE LYS A 50 2.742 3.674 12.536 1.00 1.35 C ATOM 786 NZ LYS A 50 3.367 3.297 13.832 1.00 1.86 N ATOM 0 H LYS A 50 3.132 2.526 7.299 1.00 0.36 H new ATOM 0 HA LYS A 50 3.029 5.446 7.614 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.771 3.330 8.958 1.00 0.44 H new ATOM 0 HB3 LYS A 50 4.851 5.051 9.279 1.00 0.44 H new ATOM 0 HG2 LYS A 50 2.546 5.010 10.167 1.00 0.93 H new ATOM 0 HG3 LYS A 50 2.424 3.299 9.807 1.00 0.93 H new ATOM 0 HD2 LYS A 50 4.301 2.814 11.343 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.505 4.525 11.664 1.00 0.88 H new ATOM 0 HE2 LYS A 50 2.237 4.634 12.642 1.00 1.35 H new ATOM 0 HE3 LYS A 50 1.980 2.941 12.273 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 2.635 3.248 14.569 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 3.827 2.369 13.739 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 4.077 4.010 14.096 1.00 1.86 H new ATOM 800 N SER A 51 5.269 5.900 6.536 1.00 0.40 N ATOM 801 CA SER A 51 6.570 6.113 5.985 1.00 0.39 C ATOM 802 C SER A 51 7.550 5.912 7.098 1.00 0.39 C ATOM 803 O SER A 51 7.333 6.381 8.218 1.00 0.48 O ATOM 804 CB SER A 51 6.738 7.557 5.503 1.00 0.48 C ATOM 805 OG SER A 51 5.693 7.956 4.657 1.00 1.10 O ATOM 0 H SER A 51 4.781 6.748 6.824 1.00 0.40 H new ATOM 0 HA SER A 51 6.720 5.434 5.146 1.00 0.39 H new ATOM 0 HB2 SER A 51 6.781 8.224 6.364 1.00 0.48 H new ATOM 0 HB3 SER A 51 7.687 7.655 4.977 1.00 0.48 H new ATOM 0 HG SER A 51 4.864 7.510 4.929 1.00 1.10 H new ATOM 811 N THR A 52 8.606 5.196 6.818 1.00 0.35 N ATOM 812 CA THR A 52 9.737 5.287 7.678 1.00 0.41 C ATOM 813 C THR A 52 10.456 6.541 7.257 1.00 0.45 C ATOM 814 O THR A 52 10.077 7.637 7.673 1.00 0.53 O ATOM 815 CB THR A 52 10.636 4.047 7.645 1.00 0.43 C ATOM 816 OG1 THR A 52 10.585 3.442 6.353 1.00 0.62 O ATOM 817 CG2 THR A 52 10.206 3.051 8.711 1.00 0.77 C ATOM 0 H THR A 52 8.700 4.563 6.024 1.00 0.35 H new ATOM 0 HA THR A 52 9.426 5.334 8.722 1.00 0.41 H new ATOM 0 HB THR A 52 11.662 4.352 7.852 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.976 2.674 6.375 1.00 0.62 H new ATOM 0 HG21 THR A 52 10.855 2.176 8.674 1.00 0.77 H new ATOM 0 HG22 THR A 52 10.279 3.516 9.694 1.00 0.77 H new ATOM 0 HG23 THR A 52 9.175 2.746 8.530 1.00 0.77 H new ATOM 825 N GLU A 53 11.472 6.429 6.452 1.00 0.46 N ATOM 826 CA GLU A 53 12.054 7.640 5.913 1.00 0.53 C ATOM 827 C GLU A 53 11.379 8.049 4.587 1.00 0.44 C ATOM 828 O GLU A 53 10.997 9.207 4.410 1.00 0.47 O ATOM 829 CB GLU A 53 13.579 7.495 5.738 1.00 0.68 C ATOM 830 CG GLU A 53 14.039 6.212 5.052 1.00 1.43 C ATOM 831 CD GLU A 53 14.015 4.997 5.966 1.00 1.83 C ATOM 832 OE1 GLU A 53 15.017 4.745 6.666 1.00 2.11 O ATOM 833 OE2 GLU A 53 12.992 4.288 5.984 1.00 2.55 O ATOM 0 H GLU A 53 11.906 5.554 6.159 1.00 0.46 H new ATOM 0 HA GLU A 53 11.875 8.438 6.633 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.944 8.346 5.163 1.00 0.68 H new ATOM 0 HB3 GLU A 53 14.047 7.550 6.721 1.00 0.68 H new ATOM 0 HG2 GLU A 53 13.401 6.021 4.189 1.00 1.43 H new ATOM 0 HG3 GLU A 53 15.052 6.354 4.674 1.00 1.43 H new ATOM 840 N THR A 54 11.232 7.100 3.669 1.00 0.36 N ATOM 841 CA THR A 54 10.615 7.354 2.362 1.00 0.30 C ATOM 842 C THR A 54 9.318 6.583 2.081 1.00 0.31 C ATOM 843 O THR A 54 8.978 6.422 0.919 1.00 0.38 O ATOM 844 CB THR A 54 11.619 7.062 1.243 1.00 0.40 C ATOM 845 OG1 THR A 54 12.372 5.889 1.567 1.00 1.13 O ATOM 846 CG2 THR A 54 12.560 8.241 1.039 1.00 0.93 C ATOM 0 H THR A 54 11.534 6.135 3.804 1.00 0.36 H new ATOM 0 HA THR A 54 10.334 8.407 2.390 1.00 0.30 H new ATOM 0 HB THR A 54 11.069 6.898 0.316 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.265 5.953 1.168 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.264 8.011 0.239 1.00 0.93 H new ATOM 0 HG22 THR A 54 11.982 9.125 0.770 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.108 8.433 1.961 1.00 0.93 H new ATOM 854 N GLY A 55 8.595 6.072 3.068 1.00 0.33 N ATOM 855 CA GLY A 55 7.793 4.904 2.735 1.00 0.40 C ATOM 856 C GLY A 55 6.355 5.092 2.290 1.00 0.46 C ATOM 857 O GLY A 55 5.905 4.260 1.508 1.00 0.56 O ATOM 0 H GLY A 55 8.544 6.412 4.028 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.313 4.365 1.943 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.783 4.254 3.610 1.00 0.40 H new ATOM 861 N GLN A 56 5.676 6.187 2.651 1.00 0.43 N ATOM 862 CA GLN A 56 4.295 6.445 2.147 1.00 0.54 C ATOM 863 C GLN A 56 3.504 7.392 3.045 1.00 0.56 C ATOM 864 O GLN A 56 3.277 7.105 4.220 1.00 0.63 O ATOM 865 CB GLN A 56 3.510 5.121 2.128 1.00 0.81 C ATOM 866 CG GLN A 56 2.054 5.206 1.706 1.00 0.91 C ATOM 867 CD GLN A 56 1.869 5.272 0.209 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.892 4.250 -0.469 1.00 2.18 O ATOM 869 NE2 GLN A 56 1.571 6.451 -0.307 1.00 1.06 N ATOM 0 H GLN A 56 6.040 6.905 3.278 1.00 0.43 H new ATOM 0 HA GLN A 56 4.406 6.891 1.159 1.00 0.54 H new ATOM 0 HB2 GLN A 56 4.021 4.431 1.457 1.00 0.81 H new ATOM 0 HB3 GLN A 56 3.552 4.685 3.126 1.00 0.81 H new ATOM 0 HG2 GLN A 56 1.519 4.339 2.093 1.00 0.91 H new ATOM 0 HG3 GLN A 56 1.602 6.088 2.160 1.00 0.91 H new ATOM 0 HE21 GLN A 56 1.562 7.280 0.287 1.00 1.06 H new ATOM 0 HE22 GLN A 56 1.350 6.532 -1.300 1.00 1.06 H new ATOM 878 N TYR A 57 2.971 8.446 2.446 1.00 0.57 N ATOM 879 CA TYR A 57 2.024 9.313 3.127 1.00 0.62 C ATOM 880 C TYR A 57 0.679 8.996 2.598 1.00 0.59 C ATOM 881 O TYR A 57 0.064 9.801 1.905 1.00 0.67 O ATOM 882 CB TYR A 57 2.352 10.803 2.945 1.00 0.76 C ATOM 883 CG TYR A 57 1.364 11.775 3.557 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.978 11.636 4.884 1.00 2.17 C ATOM 885 CD2 TYR A 57 0.810 12.811 2.821 1.00 2.59 C ATOM 886 CE1 TYR A 57 0.064 12.496 5.456 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.099 13.677 3.387 1.00 3.64 C ATOM 888 CZ TYR A 57 -0.422 13.598 4.654 1.00 3.91 C ATOM 889 OH TYR A 57 -1.394 14.368 5.264 1.00 4.98 O ATOM 0 H TYR A 57 3.180 8.722 1.486 1.00 0.57 H new ATOM 0 HA TYR A 57 2.074 9.132 4.201 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.335 10.994 3.375 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.425 11.012 1.878 1.00 0.76 H new ATOM 0 HD1 TYR A 57 1.401 10.840 5.479 1.00 2.17 H new ATOM 0 HD2 TYR A 57 1.096 12.941 1.788 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -0.278 12.352 6.470 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -0.556 14.438 2.772 1.00 3.64 H new ATOM 0 HH TYR A 57 -1.667 15.089 4.659 1.00 4.98 H new ATOM 899 N LEU A 58 0.202 7.822 2.928 1.00 0.55 N ATOM 900 CA LEU A 58 -0.955 7.349 2.243 1.00 0.58 C ATOM 901 C LEU A 58 -2.157 8.086 2.729 1.00 0.56 C ATOM 902 O LEU A 58 -2.527 8.081 3.899 1.00 0.72 O ATOM 903 CB LEU A 58 -1.140 5.846 2.339 1.00 0.70 C ATOM 904 CG LEU A 58 -1.346 5.205 0.970 1.00 1.32 C ATOM 905 CD1 LEU A 58 -1.203 3.694 1.048 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.708 5.576 0.401 1.00 1.85 C ATOM 0 H LEU A 58 0.586 7.202 3.641 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.813 7.550 1.181 1.00 0.58 H new ATOM 0 HB2 LEU A 58 -0.267 5.404 2.818 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.998 5.627 2.974 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.574 5.588 0.303 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -1.355 3.263 0.059 1.00 1.59 H new ATOM 0 HD12 LEU A 58 -0.205 3.441 1.405 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -1.947 3.293 1.736 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.834 5.108 -0.575 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -3.491 5.227 1.074 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.776 6.659 0.296 1.00 1.85 H new ATOM 918 N ALA A 59 -2.695 8.776 1.779 1.00 0.47 N ATOM 919 CA ALA A 59 -3.741 9.710 1.986 1.00 0.46 C ATOM 920 C ALA A 59 -4.863 9.350 1.046 1.00 0.46 C ATOM 921 O ALA A 59 -4.762 9.549 -0.166 1.00 0.51 O ATOM 922 CB ALA A 59 -3.207 11.117 1.725 1.00 0.54 C ATOM 0 H ALA A 59 -2.405 8.699 0.804 1.00 0.47 H new ATOM 0 HA ALA A 59 -4.115 9.684 3.010 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.004 11.844 1.882 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.385 11.327 2.409 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.850 11.186 0.697 1.00 0.54 H new ATOM 928 N MET A 60 -5.913 8.778 1.592 1.00 0.48 N ATOM 929 CA MET A 60 -7.027 8.365 0.770 1.00 0.52 C ATOM 930 C MET A 60 -7.920 9.570 0.497 1.00 0.55 C ATOM 931 O MET A 60 -8.471 10.170 1.423 1.00 0.74 O ATOM 932 CB MET A 60 -7.819 7.292 1.527 1.00 0.66 C ATOM 933 CG MET A 60 -8.693 6.411 0.652 1.00 1.76 C ATOM 934 SD MET A 60 -7.730 5.275 -0.359 1.00 2.80 S ATOM 935 CE MET A 60 -9.033 4.327 -1.138 1.00 3.74 C ATOM 0 H MET A 60 -6.019 8.590 2.589 1.00 0.48 H new ATOM 0 HA MET A 60 -6.672 7.961 -0.178 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.118 6.659 2.071 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.449 7.781 2.270 1.00 0.66 H new ATOM 0 HG2 MET A 60 -9.376 5.842 1.282 1.00 1.76 H new ATOM 0 HG3 MET A 60 -9.305 7.039 0.005 1.00 1.76 H new ATOM 0 HE1 MET A 60 -8.632 3.375 -1.486 1.00 3.74 H new ATOM 0 HE2 MET A 60 -9.830 4.144 -0.417 1.00 3.74 H new ATOM 0 HE3 MET A 60 -9.431 4.884 -1.986 1.00 3.74 H new ATOM 945 N ASP A 61 -8.089 9.904 -0.780 1.00 0.51 N ATOM 946 CA ASP A 61 -8.761 11.141 -1.153 1.00 0.56 C ATOM 947 C ASP A 61 -10.206 10.848 -1.455 1.00 0.56 C ATOM 948 O ASP A 61 -10.568 10.427 -2.558 1.00 0.64 O ATOM 949 CB ASP A 61 -8.109 11.780 -2.359 1.00 0.71 C ATOM 950 CG ASP A 61 -8.441 13.250 -2.487 1.00 1.02 C ATOM 951 OD1 ASP A 61 -8.064 14.027 -1.587 1.00 1.58 O ATOM 952 OD2 ASP A 61 -9.074 13.639 -3.490 1.00 1.34 O ATOM 0 H ASP A 61 -7.772 9.338 -1.567 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.685 11.839 -0.320 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.028 11.660 -2.290 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -8.430 11.259 -3.261 1.00 0.71 H new ATOM 957 N THR A 62 -10.998 11.084 -0.437 1.00 0.65 N ATOM 958 CA THR A 62 -12.373 10.633 -0.317 1.00 0.83 C ATOM 959 C THR A 62 -12.381 9.105 -0.273 1.00 0.87 C ATOM 960 O THR A 62 -12.780 8.530 0.736 1.00 1.31 O ATOM 961 CB THR A 62 -13.349 11.245 -1.382 1.00 0.97 C ATOM 962 OG1 THR A 62 -14.644 11.410 -0.787 1.00 1.47 O ATOM 963 CG2 THR A 62 -13.509 10.402 -2.646 1.00 1.55 C ATOM 0 H THR A 62 -10.690 11.622 0.373 1.00 0.65 H new ATOM 0 HA THR A 62 -12.781 11.015 0.619 1.00 0.83 H new ATOM 0 HB THR A 62 -12.907 12.193 -1.687 1.00 0.97 H new ATOM 0 HG1 THR A 62 -15.260 11.794 -1.446 1.00 1.47 H new ATOM 0 HG21 THR A 62 -14.200 10.897 -3.328 1.00 1.55 H new ATOM 0 HG22 THR A 62 -12.540 10.286 -3.131 1.00 1.55 H new ATOM 0 HG23 THR A 62 -13.902 9.420 -2.381 1.00 1.55 H new ATOM 971 N ASP A 63 -11.861 8.491 -1.335 1.00 0.78 N ATOM 972 CA ASP A 63 -11.613 7.045 -1.426 1.00 0.88 C ATOM 973 C ASP A 63 -11.486 6.633 -2.901 1.00 0.87 C ATOM 974 O ASP A 63 -11.464 5.453 -3.231 1.00 0.96 O ATOM 975 CB ASP A 63 -12.746 6.267 -0.761 1.00 1.05 C ATOM 976 CG ASP A 63 -12.313 4.943 -0.169 1.00 1.19 C ATOM 977 OD1 ASP A 63 -12.282 3.936 -0.897 1.00 1.42 O ATOM 978 OD2 ASP A 63 -12.030 4.913 1.045 1.00 1.54 O ATOM 0 H ASP A 63 -11.592 8.995 -2.180 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.683 6.814 -0.907 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -13.182 6.881 0.027 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.530 6.087 -1.496 1.00 1.05 H new ATOM 983 N GLY A 64 -11.362 7.623 -3.785 1.00 0.82 N ATOM 984 CA GLY A 64 -11.414 7.361 -5.211 1.00 0.89 C ATOM 985 C GLY A 64 -10.054 7.488 -5.849 1.00 0.90 C ATOM 986 O GLY A 64 -9.785 6.902 -6.893 1.00 1.17 O ATOM 0 H GLY A 64 -11.226 8.603 -3.536 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.805 6.358 -5.383 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -12.105 8.058 -5.685 1.00 0.89 H new ATOM 990 N LEU A 65 -9.207 8.280 -5.227 1.00 0.72 N ATOM 991 CA LEU A 65 -7.804 8.345 -5.587 1.00 0.71 C ATOM 992 C LEU A 65 -6.989 8.341 -4.317 1.00 0.67 C ATOM 993 O LEU A 65 -7.310 9.051 -3.368 1.00 0.79 O ATOM 994 CB LEU A 65 -7.481 9.591 -6.416 1.00 0.74 C ATOM 995 CG LEU A 65 -8.082 9.617 -7.823 1.00 1.41 C ATOM 996 CD1 LEU A 65 -7.798 10.946 -8.505 1.00 2.03 C ATOM 997 CD2 LEU A 65 -7.529 8.472 -8.654 1.00 2.04 C ATOM 0 H LEU A 65 -9.470 8.897 -4.458 1.00 0.72 H new ATOM 0 HA LEU A 65 -7.560 7.481 -6.205 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.832 10.469 -5.873 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -6.398 9.680 -6.500 1.00 0.74 H new ATOM 0 HG LEU A 65 -9.162 9.499 -7.736 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -8.234 10.943 -9.504 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -8.235 11.756 -7.921 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -6.721 11.094 -8.580 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -7.965 8.503 -9.652 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -6.446 8.567 -8.728 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -7.779 7.524 -8.178 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.964 7.527 -4.278 1.00 0.65 N ATOM 1010 CA LEU A 66 -5.173 7.398 -3.073 1.00 0.68 C ATOM 1011 C LEU A 66 -3.715 7.691 -3.375 1.00 0.63 C ATOM 1012 O LEU A 66 -3.055 6.967 -4.130 1.00 0.73 O ATOM 1013 CB LEU A 66 -5.356 6.000 -2.469 1.00 0.90 C ATOM 1014 CG LEU A 66 -5.542 4.864 -3.481 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -5.151 3.540 -2.876 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -6.979 4.771 -3.987 1.00 1.56 C ATOM 0 H LEU A 66 -5.657 6.946 -5.058 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.514 8.125 -2.336 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -4.487 5.774 -1.851 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -6.222 6.019 -1.807 1.00 0.90 H new ATOM 0 HG LEU A 66 -4.893 5.093 -4.326 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -5.291 2.748 -3.612 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -4.104 3.573 -2.573 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -5.774 3.340 -2.005 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -7.061 3.952 -4.701 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -7.649 4.589 -3.147 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -7.254 5.706 -4.474 1.00 1.56 H new ATOM 1028 N TYR A 67 -3.216 8.773 -2.800 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.866 9.211 -3.109 1.00 0.63 C ATOM 1030 C TYR A 67 -1.081 9.453 -1.835 1.00 0.70 C ATOM 1031 O TYR A 67 -1.638 9.923 -0.855 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.933 10.481 -3.968 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.717 11.625 -3.349 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -4.101 11.687 -3.474 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -2.076 12.646 -2.657 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.821 12.728 -2.927 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.794 13.693 -2.105 1.00 1.16 C ATOM 1038 CZ TYR A 67 -4.166 13.728 -2.245 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.889 14.770 -1.703 1.00 1.64 O ATOM 0 H TYR A 67 -3.716 9.355 -2.128 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.349 8.432 -3.670 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.917 10.821 -4.169 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.381 10.230 -4.929 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.621 10.906 -4.009 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -1.002 12.622 -2.548 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.895 12.759 -3.033 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.283 14.478 -1.568 1.00 1.16 H new ATOM 0 HH TYR A 67 -5.839 14.530 -1.677 1.00 1.64 H new ATOM 1049 N GLY A 68 0.216 9.192 -1.853 1.00 0.66 N ATOM 1050 CA GLY A 68 0.994 9.406 -0.658 1.00 0.80 C ATOM 1051 C GLY A 68 2.479 9.384 -0.876 1.00 0.81 C ATOM 1052 O GLY A 68 2.955 8.720 -1.790 1.00 0.85 O ATOM 0 H GLY A 68 0.734 8.842 -2.659 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.716 10.367 -0.225 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.734 8.640 0.073 1.00 0.80 H new ATOM 1056 N SER A 69 3.220 10.103 -0.041 1.00 0.91 N ATOM 1057 CA SER A 69 4.685 9.919 -0.019 1.00 1.08 C ATOM 1058 C SER A 69 5.411 10.140 1.331 1.00 1.38 C ATOM 1059 O SER A 69 6.131 9.261 1.794 1.00 1.62 O ATOM 1060 CB SER A 69 5.308 10.854 -1.044 1.00 1.08 C ATOM 1061 OG SER A 69 4.699 10.693 -2.312 1.00 1.39 O ATOM 0 H SER A 69 2.857 10.798 0.612 1.00 0.91 H new ATOM 0 HA SER A 69 4.821 8.860 -0.238 1.00 1.08 H new ATOM 0 HB2 SER A 69 5.200 11.887 -0.713 1.00 1.08 H new ATOM 0 HB3 SER A 69 6.377 10.654 -1.122 1.00 1.08 H new ATOM 0 HG SER A 69 5.301 11.028 -3.009 1.00 1.39 H new ATOM 1067 N GLN A 70 5.212 11.291 1.956 1.00 1.49 N ATOM 1068 CA GLN A 70 6.158 11.759 2.993 1.00 1.85 C ATOM 1069 C GLN A 70 5.934 11.230 4.427 1.00 1.93 C ATOM 1070 O GLN A 70 6.887 10.856 5.113 1.00 2.19 O ATOM 1071 CB GLN A 70 6.149 13.286 3.007 1.00 2.07 C ATOM 1072 CG GLN A 70 7.177 13.891 3.943 1.00 2.63 C ATOM 1073 CD GLN A 70 7.124 15.402 3.962 1.00 3.22 C ATOM 1074 OE1 GLN A 70 6.393 15.997 4.751 1.00 3.66 O ATOM 1075 NE2 GLN A 70 7.899 16.035 3.098 1.00 3.79 N ATOM 0 H GLN A 70 4.426 11.916 1.778 1.00 1.49 H new ATOM 0 HA GLN A 70 7.123 11.342 2.704 1.00 1.85 H new ATOM 0 HB2 GLN A 70 6.331 13.651 1.996 1.00 2.07 H new ATOM 0 HB3 GLN A 70 5.157 13.632 3.297 1.00 2.07 H new ATOM 0 HG2 GLN A 70 7.013 13.512 4.952 1.00 2.63 H new ATOM 0 HG3 GLN A 70 8.173 13.569 3.640 1.00 2.63 H new ATOM 0 HE21 GLN A 70 8.491 15.504 2.460 1.00 3.79 H new ATOM 0 HE22 GLN A 70 7.905 17.055 3.070 1.00 3.79 H new ATOM 1084 N THR A 71 4.689 11.188 4.861 1.00 1.75 N ATOM 1085 CA THR A 71 4.361 11.042 6.299 1.00 1.78 C ATOM 1086 C THR A 71 3.353 9.907 6.503 1.00 1.56 C ATOM 1087 O THR A 71 2.895 9.355 5.545 1.00 1.63 O ATOM 1088 CB THR A 71 3.758 12.377 6.803 1.00 1.94 C ATOM 1089 OG1 THR A 71 4.403 13.470 6.139 1.00 2.26 O ATOM 1090 CG2 THR A 71 3.925 12.552 8.305 1.00 2.31 C ATOM 0 H THR A 71 3.874 11.252 4.251 1.00 1.75 H new ATOM 0 HA THR A 71 5.265 10.802 6.859 1.00 1.78 H new ATOM 0 HB THR A 71 2.691 12.359 6.580 1.00 1.94 H new ATOM 0 HG1 THR A 71 4.022 14.316 6.455 1.00 2.26 H new ATOM 0 HG21 THR A 71 3.487 13.502 8.612 1.00 2.31 H new ATOM 0 HG22 THR A 71 3.422 11.736 8.824 1.00 2.31 H new ATOM 0 HG23 THR A 71 4.986 12.543 8.557 1.00 2.31 H new ATOM 1098 N PRO A 72 2.995 9.483 7.723 1.00 1.41 N ATOM 1099 CA PRO A 72 1.780 8.713 7.890 1.00 1.20 C ATOM 1100 C PRO A 72 0.742 9.403 8.785 1.00 1.04 C ATOM 1101 O PRO A 72 0.868 9.420 10.016 1.00 1.06 O ATOM 1102 CB PRO A 72 2.315 7.500 8.622 1.00 1.31 C ATOM 1103 CG PRO A 72 3.474 8.026 9.449 1.00 1.49 C ATOM 1104 CD PRO A 72 3.792 9.429 8.941 1.00 1.53 C ATOM 0 HA PRO A 72 1.267 8.534 6.945 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.550 7.050 9.255 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.644 6.730 7.924 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.212 8.050 10.507 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.343 7.375 9.351 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.502 10.200 9.655 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.855 9.562 8.742 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.285 9.971 8.175 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.391 10.527 8.934 1.00 0.86 C ATOM 1114 C ASN A 73 -2.397 9.437 9.020 1.00 0.68 C ATOM 1115 O ASN A 73 -2.160 8.366 8.453 1.00 0.71 O ATOM 1116 CB ASN A 73 -1.973 11.782 8.277 1.00 0.98 C ATOM 1117 CG ASN A 73 -1.098 13.004 8.497 1.00 1.57 C ATOM 1118 OD1 ASN A 73 0.126 12.901 8.589 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -1.717 14.169 8.600 1.00 2.17 N ATOM 0 H ASN A 73 -0.375 10.059 7.163 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.065 10.855 9.921 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -2.090 11.609 7.207 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -2.968 11.973 8.680 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -1.178 15.020 8.761 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -2.733 14.216 8.518 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.541 9.627 9.630 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.479 8.629 9.313 1.00 0.47 C ATOM 1128 C GLU A 74 -5.453 9.229 8.351 1.00 0.52 C ATOM 1129 O GLU A 74 -6.394 9.940 8.678 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.197 8.120 10.569 1.00 0.49 C ATOM 1131 CG GLU A 74 -4.280 7.446 11.581 1.00 1.15 C ATOM 1132 CD GLU A 74 -3.685 8.409 12.590 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -2.736 9.133 12.231 1.00 2.11 O ATOM 1134 OE2 GLU A 74 -4.176 8.462 13.737 1.00 1.84 O ATOM 0 H GLU A 74 -3.810 10.374 10.271 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.979 7.768 8.870 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -5.699 8.958 11.052 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -5.972 7.414 10.270 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -4.840 6.676 12.111 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -3.472 6.943 11.050 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.151 8.849 7.144 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.017 8.733 6.015 1.00 0.52 C ATOM 1143 C GLU A 75 -5.716 7.380 5.420 1.00 0.40 C ATOM 1144 O GLU A 75 -6.471 6.842 4.609 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.685 9.813 5.006 1.00 0.69 C ATOM 1146 CG GLU A 75 -6.106 11.203 5.443 1.00 0.89 C ATOM 1147 CD GLU A 75 -7.611 11.383 5.396 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -8.286 11.105 6.407 1.00 2.16 O ATOM 1149 OE2 GLU A 75 -8.129 11.784 4.334 1.00 1.69 O ATOM 0 H GLU A 75 -4.194 8.587 6.906 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.066 8.838 6.291 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.611 9.809 4.822 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.171 9.576 4.060 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -5.751 11.387 6.457 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -5.632 11.944 4.799 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.517 6.888 5.784 1.00 0.37 N ATOM 1157 CA CYS A 76 -4.011 5.631 5.276 1.00 0.47 C ATOM 1158 C CYS A 76 -4.607 4.426 6.005 1.00 0.40 C ATOM 1159 O CYS A 76 -4.201 3.294 5.762 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.492 5.594 5.450 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.958 5.572 7.177 1.00 1.40 S ATOM 0 H CYS A 76 -3.887 7.358 6.434 1.00 0.37 H new ATOM 0 HA CYS A 76 -4.294 5.568 4.225 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -2.099 4.711 4.946 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -2.057 6.463 4.956 1.00 0.68 H new ATOM 0 HG CYS A 76 -2.076 6.764 7.683 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.544 4.660 6.914 1.00 0.37 N ATOM 1168 CA LEU A 77 -6.059 3.576 7.735 1.00 0.46 C ATOM 1169 C LEU A 77 -6.947 2.677 6.909 1.00 0.39 C ATOM 1170 O LEU A 77 -7.942 3.122 6.333 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.842 4.098 8.939 1.00 0.66 C ATOM 1172 CG LEU A 77 -6.009 4.772 10.024 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -6.872 5.056 11.242 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -4.817 3.903 10.403 1.00 1.59 C ATOM 0 H LEU A 77 -5.956 5.574 7.099 1.00 0.37 H new ATOM 0 HA LEU A 77 -5.203 3.012 8.106 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -7.588 4.809 8.584 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -7.384 3.265 9.387 1.00 0.66 H new ATOM 0 HG LEU A 77 -5.629 5.717 9.636 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -6.268 5.537 12.011 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -7.693 5.715 10.960 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -7.274 4.120 11.629 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -4.235 4.401 11.178 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -5.171 2.942 10.776 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -4.190 3.743 9.526 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.597 1.410 6.867 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.325 0.464 6.077 1.00 0.39 C ATOM 1188 C PHE A 78 -7.662 -0.780 6.899 1.00 0.36 C ATOM 1189 O PHE A 78 -7.086 -1.006 7.966 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.508 0.098 4.841 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.238 1.272 3.934 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -7.264 2.129 3.560 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.957 1.537 3.479 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -7.018 3.220 2.750 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.704 2.632 2.670 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.737 3.473 2.306 1.00 0.84 C ATOM 0 H PHE A 78 -5.806 1.017 7.377 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.266 0.913 5.757 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.558 -0.334 5.157 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.037 -0.672 4.279 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -8.269 1.940 3.907 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.145 0.882 3.759 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.828 3.875 2.464 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.700 2.828 2.324 1.00 0.78 H new ATOM 0 HZ PHE A 78 -5.542 4.327 1.675 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.624 -1.559 6.424 1.00 0.37 N ATOM 1207 CA LEU A 79 -9.016 -2.794 7.091 1.00 0.37 C ATOM 1208 C LEU A 79 -8.289 -3.964 6.444 1.00 0.35 C ATOM 1209 O LEU A 79 -8.210 -4.049 5.218 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.531 -2.996 7.013 1.00 0.44 C ATOM 1211 CG LEU A 79 -11.082 -4.181 7.810 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -11.029 -3.898 9.304 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -12.504 -4.492 7.379 1.00 1.09 C ATOM 0 H LEU A 79 -9.150 -1.356 5.574 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.742 -2.734 8.144 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -11.019 -2.087 7.364 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.809 -3.124 5.967 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.458 -5.051 7.606 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -11.426 -4.754 9.851 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -9.996 -3.722 9.605 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -11.627 -3.015 9.529 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -12.882 -5.337 7.955 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -13.136 -3.621 7.554 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -12.516 -4.741 6.318 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.763 -4.851 7.269 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.897 -5.923 6.794 1.00 0.42 C ATOM 1227 C GLU A 80 -7.683 -7.220 6.619 1.00 0.40 C ATOM 1228 O GLU A 80 -8.317 -7.716 7.553 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.735 -6.108 7.781 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.675 -7.120 7.353 1.00 0.97 C ATOM 1231 CD GLU A 80 -4.951 -8.524 7.854 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -5.114 -8.705 9.077 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -5.028 -9.453 7.024 1.00 2.07 O ATOM 0 H GLU A 80 -7.920 -4.853 8.277 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.494 -5.655 5.817 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.252 -5.143 7.934 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -6.142 -6.417 8.744 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.615 -7.135 6.265 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -3.702 -6.795 7.721 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.645 -7.750 5.402 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.382 -8.952 5.049 1.00 0.39 C ATOM 1242 C ARG A 81 -7.442 -9.967 4.408 1.00 0.48 C ATOM 1243 O ARG A 81 -6.674 -9.625 3.519 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.529 -8.611 4.090 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.356 -9.818 3.667 1.00 0.76 C ATOM 1246 CD ARG A 81 -11.049 -10.466 4.854 1.00 1.34 C ATOM 1247 NE ARG A 81 -12.030 -9.577 5.469 1.00 2.05 N ATOM 1248 CZ ARG A 81 -12.184 -9.427 6.783 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -11.377 -10.050 7.631 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -13.135 -8.630 7.246 1.00 3.75 N ATOM 0 H ARG A 81 -7.102 -7.357 4.634 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.806 -9.385 5.955 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.184 -7.882 4.567 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -9.117 -8.135 3.200 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -11.101 -9.510 2.934 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -9.711 -10.548 3.178 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.543 -11.382 4.529 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -10.304 -10.752 5.596 1.00 1.34 H new ATOM 0 HE ARG A 81 -12.636 -9.036 4.853 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -10.631 -10.650 7.278 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -11.502 -9.929 8.636 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -13.746 -8.134 6.597 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -13.257 -8.512 8.252 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.495 -11.206 4.858 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.623 -12.237 4.316 1.00 0.82 C ATOM 1266 C LEU A 82 -7.288 -13.019 3.196 1.00 0.66 C ATOM 1267 O LEU A 82 -8.402 -13.525 3.348 1.00 0.84 O ATOM 1268 CB LEU A 82 -6.168 -13.204 5.408 1.00 1.25 C ATOM 1269 CG LEU A 82 -4.877 -12.808 6.122 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -4.468 -13.888 7.108 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -3.767 -12.561 5.110 1.00 1.65 C ATOM 0 H LEU A 82 -8.127 -11.524 5.592 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.755 -11.721 3.905 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -6.963 -13.293 6.149 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -6.033 -14.191 4.966 1.00 1.25 H new ATOM 0 HG LEU A 82 -5.052 -11.884 6.674 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -3.546 -13.593 7.610 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -5.257 -14.023 7.848 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -4.307 -14.825 6.575 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -2.853 -12.280 5.634 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.590 -13.470 4.535 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.061 -11.756 4.436 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.599 -13.102 2.068 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.990 -13.992 0.991 1.00 0.82 C ATOM 1285 C GLU A 83 -6.378 -15.361 1.275 1.00 1.29 C ATOM 1286 O GLU A 83 -5.352 -15.456 1.953 1.00 2.03 O ATOM 1287 CB GLU A 83 -6.510 -13.429 -0.357 1.00 1.39 C ATOM 1288 CG GLU A 83 -6.880 -14.275 -1.569 1.00 1.89 C ATOM 1289 CD GLU A 83 -8.366 -14.566 -1.649 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -9.101 -13.737 -2.222 1.00 2.48 O ATOM 1291 OE2 GLU A 83 -8.805 -15.620 -1.141 1.00 2.36 O ATOM 0 H GLU A 83 -5.758 -12.557 1.876 1.00 0.76 H new ATOM 0 HA GLU A 83 -8.075 -14.083 0.934 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -6.927 -12.430 -0.487 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -5.426 -13.320 -0.324 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -6.566 -13.759 -2.476 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -6.331 -15.216 -1.531 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.970 -16.411 0.739 1.00 1.26 N ATOM 1299 CA GLU A 84 -6.634 -17.758 1.170 1.00 1.78 C ATOM 1300 C GLU A 84 -5.512 -18.346 0.319 1.00 1.46 C ATOM 1301 O GLU A 84 -4.985 -19.414 0.622 1.00 1.49 O ATOM 1302 CB GLU A 84 -7.882 -18.642 1.104 1.00 2.65 C ATOM 1303 CG GLU A 84 -7.752 -19.956 1.856 1.00 3.44 C ATOM 1304 CD GLU A 84 -9.046 -20.740 1.877 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -9.950 -20.383 2.661 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -9.167 -21.717 1.106 1.00 4.35 O ATOM 0 H GLU A 84 -7.681 -16.361 0.010 1.00 1.26 H new ATOM 0 HA GLU A 84 -6.277 -17.717 2.199 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -8.729 -18.087 1.508 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -8.109 -18.855 0.059 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -6.972 -20.560 1.393 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -7.435 -19.756 2.880 1.00 3.44 H new ATOM 1313 N ASN A 85 -5.116 -17.628 -0.720 1.00 1.98 N ATOM 1314 CA ASN A 85 -3.991 -18.054 -1.548 1.00 2.36 C ATOM 1315 C ASN A 85 -2.718 -17.364 -1.085 1.00 1.83 C ATOM 1316 O ASN A 85 -1.841 -17.032 -1.883 1.00 2.36 O ATOM 1317 CB ASN A 85 -4.252 -17.758 -3.028 1.00 3.24 C ATOM 1318 CG ASN A 85 -5.498 -18.443 -3.548 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -6.588 -17.870 -3.530 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -5.352 -19.675 -4.008 1.00 4.33 N ATOM 0 H ASN A 85 -5.551 -16.753 -1.011 1.00 1.98 H new ATOM 0 HA ASN A 85 -3.872 -19.132 -1.439 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -4.349 -16.681 -3.168 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -3.393 -18.080 -3.616 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -6.160 -20.185 -4.365 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -4.432 -20.115 -4.006 1.00 4.33 H new ATOM 1327 N HIS A 86 -2.639 -17.175 0.225 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.533 -16.459 0.865 1.00 1.29 C ATOM 1329 C HIS A 86 -1.298 -15.091 0.233 1.00 1.07 C ATOM 1330 O HIS A 86 -0.180 -14.743 -0.151 1.00 1.43 O ATOM 1331 CB HIS A 86 -0.248 -17.295 0.856 1.00 2.00 C ATOM 1332 CG HIS A 86 -0.086 -18.121 2.095 1.00 2.54 C ATOM 1333 ND1 HIS A 86 1.060 -18.122 2.856 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -0.946 -18.961 2.716 1.00 3.02 C ATOM 1335 CE1 HIS A 86 0.899 -18.927 3.890 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -0.312 -19.448 3.831 1.00 3.81 N ATOM 0 H HIS A 86 -3.342 -17.514 0.881 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.820 -16.293 1.903 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -0.252 -17.951 -0.015 1.00 2.00 H new ATOM 0 HB3 HIS A 86 0.611 -16.632 0.752 1.00 2.00 H new ATOM 0 HD2 HIS A 86 -1.948 -19.204 2.393 1.00 3.02 H new ATOM 0 HE1 HIS A 86 1.635 -19.126 4.655 1.00 3.99 H new ATOM 0 HE2 HIS A 86 -0.711 -20.104 4.503 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.372 -14.322 0.133 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.302 -12.940 -0.318 1.00 0.49 C ATOM 1347 C TYR A 87 -2.994 -12.052 0.698 1.00 0.46 C ATOM 1348 O TYR A 87 -3.918 -12.494 1.381 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.979 -12.761 -1.682 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.202 -13.327 -2.848 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -1.032 -12.724 -3.291 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.637 -14.475 -3.499 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -0.318 -13.248 -4.352 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -1.930 -15.004 -4.561 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.773 -14.351 -5.002 1.00 2.70 C ATOM 1356 OH TYR A 87 -0.067 -14.912 -6.041 1.00 3.60 O ATOM 0 H TYR A 87 -3.315 -14.637 0.362 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.252 -12.666 -0.418 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.960 -13.235 -1.651 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -3.144 -11.697 -1.854 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -0.675 -11.832 -2.799 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.543 -14.962 -3.169 1.00 1.38 H new ATOM 0 HE1 TYR A 87 0.603 -12.780 -4.665 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -2.265 -15.909 -5.045 1.00 2.16 H new ATOM 0 HH TYR A 87 -0.550 -15.695 -6.380 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.554 -10.815 0.812 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.206 -9.884 1.713 1.00 0.38 C ATOM 1368 C ASN A 88 -4.092 -8.947 0.917 1.00 0.34 C ATOM 1369 O ASN A 88 -3.802 -8.625 -0.235 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.188 -9.086 2.520 1.00 0.43 C ATOM 1371 CG ASN A 88 -2.819 -8.415 3.725 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -3.256 -7.273 3.652 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -2.869 -9.123 4.843 1.00 1.60 N ATOM 0 H ASN A 88 -1.758 -10.434 0.300 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.813 -10.454 2.416 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.388 -9.748 2.851 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -1.732 -8.330 1.881 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -3.283 -8.720 5.684 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -2.494 -10.071 4.863 1.00 1.60 H new ATOM 1380 N THR A 89 -5.185 -8.558 1.523 1.00 0.36 N ATOM 1381 CA THR A 89 -6.140 -7.670 0.902 1.00 0.37 C ATOM 1382 C THR A 89 -6.395 -6.486 1.822 1.00 0.37 C ATOM 1383 O THR A 89 -6.193 -6.584 3.030 1.00 0.40 O ATOM 1384 CB THR A 89 -7.463 -8.407 0.611 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.174 -9.705 0.070 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.314 -7.631 -0.384 1.00 0.49 C ATOM 0 H THR A 89 -5.441 -8.849 2.467 1.00 0.36 H new ATOM 0 HA THR A 89 -5.732 -7.318 -0.046 1.00 0.37 H new ATOM 0 HB THR A 89 -8.018 -8.500 1.545 1.00 0.44 H new ATOM 0 HG1 THR A 89 -8.013 -10.177 -0.114 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.241 -8.173 -0.571 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.545 -6.647 0.025 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.766 -7.516 -1.319 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.825 -5.373 1.264 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.099 -4.194 2.062 1.00 0.42 C ATOM 1396 C TYR A 90 -8.427 -3.572 1.659 1.00 0.38 C ATOM 1397 O TYR A 90 -8.719 -3.418 0.473 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.980 -3.159 1.909 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.634 -3.594 2.448 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.459 -3.867 3.797 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.537 -3.715 1.608 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.228 -4.251 4.293 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.303 -4.101 2.096 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.154 -4.366 3.438 1.00 0.75 C ATOM 1405 OH TYR A 90 -0.928 -4.751 3.928 1.00 0.87 O ATOM 0 H TYR A 90 -6.992 -5.259 0.264 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.152 -4.504 3.106 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.871 -2.916 0.852 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.280 -2.243 2.417 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.299 -3.778 4.470 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.649 -3.504 0.555 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.108 -4.460 5.346 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.460 -4.194 1.427 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.279 -4.784 3.195 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.235 -3.228 2.648 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.439 -2.458 2.401 1.00 0.35 C ATOM 1417 C ILE A 91 -10.163 -1.019 2.786 1.00 0.36 C ATOM 1418 O ILE A 91 -9.364 -0.759 3.694 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.668 -3.015 3.180 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.845 -3.219 2.230 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.089 -2.090 4.314 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -12.593 -4.264 1.166 1.00 1.55 C ATOM 0 H ILE A 91 -9.078 -3.470 3.626 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.695 -2.528 1.344 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.371 -3.970 3.614 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.722 -3.507 2.809 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -13.079 -2.270 1.747 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.949 -2.516 4.831 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -11.263 -1.976 5.016 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.357 -1.115 3.908 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -13.473 -4.354 0.529 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -11.736 -3.968 0.561 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -12.389 -5.224 1.640 1.00 1.55 H new ATOM 1434 N SER A 92 -10.812 -0.088 2.126 1.00 0.36 N ATOM 1435 CA SER A 92 -10.543 1.307 2.369 1.00 0.40 C ATOM 1436 C SER A 92 -11.434 1.780 3.486 1.00 0.43 C ATOM 1437 O SER A 92 -12.628 1.969 3.308 1.00 0.53 O ATOM 1438 CB SER A 92 -10.764 2.107 1.093 1.00 0.47 C ATOM 1439 OG SER A 92 -11.915 1.659 0.405 1.00 1.33 O ATOM 0 H SER A 92 -11.526 -0.271 1.421 1.00 0.36 H new ATOM 0 HA SER A 92 -9.504 1.451 2.667 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.870 3.164 1.337 1.00 0.47 H new ATOM 0 HB3 SER A 92 -9.891 2.015 0.447 1.00 0.47 H new ATOM 0 HG SER A 92 -12.092 2.250 -0.356 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.838 1.939 4.663 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.608 2.202 5.862 1.00 0.54 C ATOM 1447 C LYS A 93 -12.152 3.622 5.840 1.00 0.57 C ATOM 1448 O LYS A 93 -12.983 3.994 6.668 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.726 2.007 7.099 1.00 0.65 C ATOM 1450 CG LYS A 93 -11.435 1.321 8.249 1.00 0.84 C ATOM 1451 CD LYS A 93 -10.830 1.701 9.597 1.00 1.27 C ATOM 1452 CE LYS A 93 -9.387 1.234 9.733 1.00 1.20 C ATOM 1453 NZ LYS A 93 -9.283 -0.246 9.777 1.00 1.58 N ATOM 0 H LYS A 93 -9.829 1.890 4.807 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.445 1.504 5.900 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.850 1.420 6.821 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -10.365 2.979 7.434 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -12.491 1.589 8.236 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -11.379 0.240 8.117 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -10.873 2.783 9.720 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -11.428 1.265 10.397 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -8.803 1.614 8.895 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -8.954 1.655 10.640 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -8.288 -0.528 9.665 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -9.640 -0.592 10.690 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -9.848 -0.657 9.006 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.747 4.373 4.826 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.260 5.710 4.613 1.00 0.67 C ATOM 1469 C LYS A 94 -13.722 5.575 4.232 1.00 0.79 C ATOM 1470 O LYS A 94 -14.611 5.928 5.008 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.456 6.440 3.519 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.656 7.947 3.491 1.00 1.21 C ATOM 1473 CD LYS A 94 -11.021 8.618 4.698 1.00 1.56 C ATOM 1474 CE LYS A 94 -11.181 10.129 4.645 1.00 2.00 C ATOM 1475 NZ LYS A 94 -10.383 10.741 3.551 1.00 2.32 N ATOM 0 H LYS A 94 -11.059 4.072 4.135 1.00 0.52 H new ATOM 0 HA LYS A 94 -12.162 6.309 5.518 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -10.396 6.229 3.663 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.734 6.031 2.548 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -11.223 8.355 2.578 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -12.722 8.173 3.467 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -11.478 8.235 5.611 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -9.962 8.365 4.741 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -12.233 10.376 4.507 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -10.875 10.558 5.599 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -9.762 11.476 3.944 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -9.805 10.009 3.091 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -11.023 11.167 2.851 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.970 5.060 3.039 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.311 4.630 2.671 1.00 0.96 C ATOM 1491 C HIS A 95 -15.540 3.146 2.913 1.00 1.01 C ATOM 1492 O HIS A 95 -16.090 2.452 2.052 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.646 4.996 1.230 1.00 1.06 C ATOM 1494 CG HIS A 95 -16.070 6.413 1.104 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -15.181 7.455 1.116 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -17.301 6.969 1.034 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.835 8.588 1.060 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -17.126 8.328 1.008 1.00 2.32 N ATOM 0 H HIS A 95 -13.266 4.930 2.312 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.990 5.173 3.329 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -14.775 4.820 0.599 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.441 4.345 0.865 1.00 1.06 H new ATOM 0 HD1 HIS A 95 -14.166 7.363 1.162 1.00 1.55 H new ATOM 0 HD2 HIS A 95 -18.243 6.442 1.004 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -15.390 9.572 1.057 1.00 2.27 H new ATOM 1507 N ALA A 96 -15.143 2.661 4.086 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.383 1.266 4.445 1.00 1.02 C ATOM 1509 C ALA A 96 -16.870 0.941 4.361 1.00 1.03 C ATOM 1510 O ALA A 96 -17.268 -0.118 3.873 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.857 0.973 5.843 1.00 1.18 C ATOM 0 H ALA A 96 -14.658 3.207 4.798 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.848 0.635 3.736 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -15.046 -0.071 6.091 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.785 1.166 5.876 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.363 1.615 6.564 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.681 1.893 4.794 1.00 1.07 N ATOM 1518 CA GLU A 97 -19.123 1.722 4.845 1.00 1.16 C ATOM 1519 C GLU A 97 -19.725 1.663 3.442 1.00 1.07 C ATOM 1520 O GLU A 97 -20.806 1.109 3.245 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.735 2.870 5.647 1.00 1.30 C ATOM 1522 CG GLU A 97 -21.233 2.765 5.854 1.00 2.04 C ATOM 1523 CD GLU A 97 -21.743 3.844 6.781 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -21.622 3.692 8.010 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -22.302 4.838 6.281 1.00 3.42 O ATOM 0 H GLU A 97 -17.358 2.804 5.119 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.349 0.774 5.334 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -19.249 2.915 6.622 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -19.516 3.809 5.138 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -21.740 2.841 4.892 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -21.476 1.786 6.266 1.00 2.04 H new ATOM 1532 N LYS A 98 -19.020 2.215 2.463 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.524 2.213 1.097 1.00 0.88 C ATOM 1534 C LYS A 98 -19.078 0.943 0.367 1.00 0.83 C ATOM 1535 O LYS A 98 -19.455 0.713 -0.783 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.028 3.467 0.359 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.606 3.644 -1.041 1.00 1.41 C ATOM 1538 CD LYS A 98 -21.120 3.802 -1.014 1.00 1.98 C ATOM 1539 CE LYS A 98 -21.542 5.087 -0.317 1.00 2.14 C ATOM 1540 NZ LYS A 98 -21.068 6.297 -1.040 1.00 2.65 N ATOM 0 H LYS A 98 -18.112 2.663 2.586 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.614 2.227 1.118 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -19.275 4.346 0.955 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -17.941 3.426 0.288 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.158 4.520 -1.511 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -19.342 2.783 -1.655 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -21.504 3.799 -2.034 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -21.565 2.948 -0.503 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -22.629 5.115 -0.237 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -21.147 5.094 0.699 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -21.553 7.137 -0.666 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -20.042 6.402 -0.906 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -21.277 6.200 -2.054 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.276 0.123 1.050 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.901 -1.209 0.562 1.00 0.84 C ATOM 1556 C ASN A 99 -16.814 -1.119 -0.503 1.00 0.68 C ATOM 1557 O ASN A 99 -16.630 -2.047 -1.294 1.00 0.74 O ATOM 1558 CB ASN A 99 -19.105 -2.002 0.027 1.00 1.01 C ATOM 1559 CG ASN A 99 -20.145 -2.287 1.094 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -20.041 -3.262 1.834 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -21.176 -1.458 1.158 1.00 2.00 N ATOM 0 H ASN A 99 -17.869 0.361 1.954 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.509 -1.752 1.422 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.569 -1.444 -0.786 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.755 -2.945 -0.393 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -21.918 -1.619 1.839 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -21.228 -0.659 0.527 1.00 2.00 H new ATOM 1568 N TRP A 100 -16.116 0.006 -0.543 1.00 0.54 N ATOM 1569 CA TRP A 100 -15.055 0.206 -1.512 1.00 0.44 C ATOM 1570 C TRP A 100 -13.789 -0.534 -1.100 1.00 0.41 C ATOM 1571 O TRP A 100 -13.626 -0.931 0.058 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.757 1.692 -1.663 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.710 2.434 -2.554 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.888 1.993 -3.086 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.540 3.768 -3.015 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -17.453 2.987 -3.856 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.639 4.090 -3.823 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.555 4.717 -2.809 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.768 5.342 -4.432 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.677 5.952 -3.407 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.771 6.260 -4.207 1.00 1.01 C ATOM 0 H TRP A 100 -16.267 0.794 0.086 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.392 -0.195 -2.468 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.769 2.154 -0.676 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.747 1.808 -2.057 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -17.313 1.013 -2.927 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -18.333 2.914 -4.367 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.701 4.493 -2.187 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.618 5.578 -5.055 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.908 6.695 -3.251 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -15.839 7.238 -4.660 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.886 -0.702 -2.053 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.627 -1.367 -1.796 1.00 0.51 C ATOM 1594 C PHE A 101 -10.515 -0.348 -1.912 1.00 0.55 C ATOM 1595 O PHE A 101 -10.584 0.544 -2.756 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.370 -2.484 -2.818 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.410 -3.569 -2.867 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.637 -3.340 -3.466 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.170 -4.808 -2.293 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.606 -4.324 -3.489 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.133 -5.797 -2.317 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.308 -5.595 -3.002 1.00 0.77 C ATOM 0 H PHE A 101 -13.006 -0.384 -3.015 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.662 -1.807 -0.799 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.291 -2.035 -3.808 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.405 -2.940 -2.597 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -13.839 -2.381 -3.920 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.218 -5.002 -1.821 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.589 -4.110 -3.882 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -12.964 -6.729 -1.798 1.00 0.79 H new ATOM 0 HZ PHE A 101 -14.994 -6.414 -3.161 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.498 -0.453 -1.083 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.313 0.335 -1.319 1.00 0.55 C ATOM 1614 C VAL A 102 -7.368 -0.479 -2.180 1.00 0.50 C ATOM 1615 O VAL A 102 -6.872 -1.527 -1.775 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.614 0.796 -0.020 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -7.388 -0.359 0.930 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -6.297 1.483 -0.341 1.00 1.27 C ATOM 0 H VAL A 102 -9.468 -1.059 -0.263 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.610 1.252 -1.828 1.00 0.55 H new ATOM 0 HB VAL A 102 -8.273 1.509 0.475 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -6.895 0.003 1.832 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -8.347 -0.805 1.195 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -6.760 -1.108 0.449 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -5.818 1.801 0.585 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -5.643 0.788 -0.868 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -6.484 2.353 -0.970 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.159 -0.001 -3.381 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.339 -0.704 -4.325 1.00 0.61 C ATOM 1630 C GLY A 103 -5.394 0.227 -5.017 1.00 0.54 C ATOM 1631 O GLY A 103 -5.616 1.436 -5.065 1.00 0.66 O ATOM 0 H GLY A 103 -7.549 0.876 -3.726 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.776 -1.484 -3.812 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.971 -1.200 -5.062 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.369 -0.332 -5.586 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.288 0.460 -6.124 1.00 0.50 C ATOM 1637 C LEU A 104 -3.030 0.109 -7.563 1.00 0.59 C ATOM 1638 O LEU A 104 -3.564 -0.872 -8.056 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.037 0.206 -5.279 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.757 -1.228 -4.843 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -1.330 -2.099 -6.009 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.679 -1.212 -3.792 1.00 1.27 C ATOM 0 H LEU A 104 -4.252 -1.340 -5.693 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.556 1.516 -6.088 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.174 0.560 -5.843 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.107 0.822 -4.382 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.676 -1.654 -4.440 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -1.140 -3.113 -5.656 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -2.122 -2.118 -6.758 1.00 1.62 H new ATOM 0 HD13 LEU A 104 -0.421 -1.693 -6.452 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.469 -2.232 -3.471 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.226 -0.768 -4.206 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.013 -0.624 -2.937 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.271 0.930 -8.276 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.492 0.337 -9.348 1.00 0.54 C ATOM 1656 C LYS A 105 -0.029 0.362 -8.948 1.00 0.49 C ATOM 1657 O LYS A 105 0.698 1.290 -9.255 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.669 1.110 -10.663 1.00 0.70 C ATOM 1659 CG LYS A 105 -2.845 0.680 -11.526 1.00 0.94 C ATOM 1660 CD LYS A 105 -4.161 0.711 -10.772 1.00 1.55 C ATOM 1661 CE LYS A 105 -5.345 0.738 -11.724 1.00 1.97 C ATOM 1662 NZ LYS A 105 -5.182 -0.227 -12.844 1.00 2.09 N ATOM 0 H LYS A 105 -2.180 1.938 -8.146 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.836 -0.685 -9.508 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -1.781 2.169 -10.429 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -0.755 1.008 -11.249 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -2.912 1.335 -12.395 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -2.668 -0.328 -11.900 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -4.232 -0.163 -10.125 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -4.191 1.589 -10.126 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -6.257 0.505 -11.175 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -5.464 1.744 -12.127 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -6.097 -0.674 -13.053 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -4.841 0.275 -13.688 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -4.493 -0.958 -12.575 1.00 2.09 H new ATOM 1676 N LYS A 106 0.461 -0.712 -8.384 1.00 0.46 N ATOM 1677 CA LYS A 106 1.868 -0.756 -8.087 1.00 0.44 C ATOM 1678 C LYS A 106 2.606 -1.140 -9.327 1.00 0.44 C ATOM 1679 O LYS A 106 3.775 -0.848 -9.470 1.00 0.46 O ATOM 1680 CB LYS A 106 2.202 -1.743 -6.990 1.00 0.51 C ATOM 1681 CG LYS A 106 2.208 -3.177 -7.480 1.00 0.81 C ATOM 1682 CD LYS A 106 3.544 -3.849 -7.260 1.00 1.11 C ATOM 1683 CE LYS A 106 3.643 -5.142 -8.052 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.741 -6.001 -7.556 1.00 1.57 N ATOM 0 H LYS A 106 -0.073 -1.542 -8.128 1.00 0.46 H new ATOM 0 HA LYS A 106 2.164 0.233 -7.736 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.180 -1.501 -6.574 1.00 0.51 H new ATOM 0 HB3 LYS A 106 1.477 -1.642 -6.182 1.00 0.51 H new ATOM 0 HG2 LYS A 106 1.431 -3.739 -6.963 1.00 0.81 H new ATOM 0 HG3 LYS A 106 1.963 -3.198 -8.542 1.00 0.81 H new ATOM 0 HD2 LYS A 106 4.347 -3.175 -7.557 1.00 1.11 H new ATOM 0 HD3 LYS A 106 3.679 -4.058 -6.199 1.00 1.11 H new ATOM 0 HE2 LYS A 106 2.699 -5.683 -7.986 1.00 1.02 H new ATOM 0 HE3 LYS A 106 3.807 -4.913 -9.105 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 4.925 -6.760 -8.242 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 5.601 -5.429 -7.434 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 4.470 -6.418 -6.643 1.00 1.57 H new ATOM 1698 N ASN A 107 1.951 -1.862 -10.211 1.00 0.50 N ATOM 1699 CA ASN A 107 2.609 -2.196 -11.440 1.00 0.56 C ATOM 1700 C ASN A 107 2.612 -0.970 -12.338 1.00 0.60 C ATOM 1701 O ASN A 107 3.321 -0.914 -13.342 1.00 0.70 O ATOM 1702 CB ASN A 107 1.880 -3.361 -12.127 1.00 0.67 C ATOM 1703 CG ASN A 107 0.461 -3.001 -12.549 1.00 1.47 C ATOM 1704 OD1 ASN A 107 -0.471 -3.057 -11.744 1.00 2.40 O ATOM 1705 ND2 ASN A 107 0.284 -2.647 -13.814 1.00 1.84 N ATOM 0 H ASN A 107 1.000 -2.214 -10.103 1.00 0.50 H new ATOM 0 HA ASN A 107 3.635 -2.506 -11.241 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.447 -3.672 -13.004 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.848 -4.214 -11.449 1.00 0.67 H new ATOM 0 HD21 ASN A 107 -0.649 -2.409 -14.151 1.00 1.84 H new ATOM 0 HD22 ASN A 107 1.081 -2.612 -14.450 1.00 1.84 H new ATOM 1712 N GLY A 108 1.819 0.027 -11.939 1.00 0.56 N ATOM 1713 CA GLY A 108 1.707 1.233 -12.708 1.00 0.65 C ATOM 1714 C GLY A 108 2.011 2.481 -11.918 1.00 0.60 C ATOM 1715 O GLY A 108 3.157 2.862 -11.675 1.00 0.71 O ATOM 0 H GLY A 108 1.254 0.008 -11.090 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.386 1.177 -13.558 1.00 0.65 H new ATOM 0 HA3 GLY A 108 0.697 1.305 -13.111 1.00 0.65 H new ATOM 1719 N SER A 109 0.922 2.971 -11.361 1.00 0.53 N ATOM 1720 CA SER A 109 0.714 4.364 -11.047 1.00 0.64 C ATOM 1721 C SER A 109 -0.072 4.470 -9.752 1.00 0.54 C ATOM 1722 O SER A 109 -0.532 3.466 -9.200 1.00 0.54 O ATOM 1723 CB SER A 109 -0.020 5.055 -12.197 1.00 0.93 C ATOM 1724 OG SER A 109 -1.058 4.229 -12.706 1.00 1.50 O ATOM 0 H SER A 109 0.128 2.384 -11.106 1.00 0.53 H new ATOM 0 HA SER A 109 1.674 4.863 -10.916 1.00 0.64 H new ATOM 0 HB2 SER A 109 -0.439 6.000 -11.851 1.00 0.93 H new ATOM 0 HB3 SER A 109 0.685 5.292 -12.994 1.00 0.93 H new ATOM 0 HG SER A 109 -1.515 4.692 -13.439 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.255 5.662 -9.259 1.00 0.76 N ATOM 1731 CA CYS A 110 -0.745 5.812 -7.920 1.00 0.82 C ATOM 1732 C CYS A 110 -2.250 5.631 -7.906 1.00 0.66 C ATOM 1733 O CYS A 110 -2.963 5.958 -8.855 1.00 1.17 O ATOM 1734 CB CYS A 110 -0.317 7.170 -7.381 1.00 1.35 C ATOM 1735 SG CYS A 110 -0.507 7.375 -5.591 1.00 2.32 S ATOM 0 H CYS A 110 -0.075 6.534 -9.757 1.00 0.76 H new ATOM 0 HA CYS A 110 -0.322 5.048 -7.267 1.00 0.82 H new ATOM 0 HB2 CYS A 110 0.728 7.335 -7.642 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -0.897 7.944 -7.884 1.00 1.35 H new ATOM 0 HG CYS A 110 -1.766 7.295 -5.276 1.00 2.32 H new ATOM 1741 N LYS A 111 -2.682 5.062 -6.799 1.00 0.72 N ATOM 1742 CA LYS A 111 -3.728 4.132 -6.743 1.00 1.00 C ATOM 1743 C LYS A 111 -5.081 4.783 -6.842 1.00 0.75 C ATOM 1744 O LYS A 111 -5.285 5.920 -6.417 1.00 1.56 O ATOM 1745 CB LYS A 111 -3.524 3.389 -5.443 1.00 2.13 C ATOM 1746 CG LYS A 111 -2.069 3.391 -4.934 1.00 2.53 C ATOM 1747 CD LYS A 111 -1.067 2.945 -6.006 1.00 2.18 C ATOM 1748 CE LYS A 111 0.298 2.651 -5.423 1.00 3.01 C ATOM 1749 NZ LYS A 111 1.324 2.495 -6.485 1.00 3.59 N ATOM 0 H LYS A 111 -2.276 5.263 -5.885 1.00 0.72 H new ATOM 0 HA LYS A 111 -3.708 3.450 -7.593 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -4.164 3.832 -4.680 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -3.850 2.357 -5.573 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -1.809 4.393 -4.594 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -1.989 2.730 -4.071 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -1.446 2.054 -6.507 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -0.977 3.723 -6.764 1.00 2.18 H new ATOM 0 HE2 LYS A 111 0.589 3.458 -4.751 1.00 3.01 H new ATOM 0 HE3 LYS A 111 0.251 1.741 -4.825 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 1.965 1.715 -6.236 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 0.857 2.284 -7.390 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 1.869 3.376 -6.573 1.00 3.59 H new ATOM 1763 N ARG A 112 -5.986 4.051 -7.438 1.00 0.95 N ATOM 1764 CA ARG A 112 -7.215 4.636 -7.895 1.00 1.36 C ATOM 1765 C ARG A 112 -8.417 3.732 -7.660 1.00 1.14 C ATOM 1766 O ARG A 112 -8.392 2.555 -8.016 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.094 5.044 -9.361 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.133 4.181 -10.149 1.00 3.07 C ATOM 1769 CD ARG A 112 -5.839 4.780 -11.517 1.00 4.09 C ATOM 1770 NE ARG A 112 -7.058 5.223 -12.193 1.00 4.81 N ATOM 1771 CZ ARG A 112 -7.422 4.843 -13.414 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -6.649 4.031 -14.121 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -8.554 5.300 -13.935 1.00 6.59 N ATOM 0 H ARG A 112 -5.894 3.051 -7.617 1.00 0.95 H new ATOM 0 HA ARG A 112 -7.393 5.532 -7.300 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -8.079 4.996 -9.826 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -6.766 6.082 -9.415 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.203 4.069 -9.592 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.554 3.183 -10.270 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -5.159 5.624 -11.405 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -5.330 4.041 -12.135 1.00 4.09 H new ATOM 0 HE ARG A 112 -7.671 5.868 -11.694 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -5.770 3.694 -13.729 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -6.933 3.743 -15.057 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -9.140 5.940 -13.399 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -8.838 5.011 -14.871 1.00 6.59 H new ATOM 1787 N GLY A 113 -9.484 4.324 -7.137 1.00 0.81 N ATOM 1788 CA GLY A 113 -10.699 3.598 -6.793 1.00 0.76 C ATOM 1789 C GLY A 113 -11.488 3.050 -7.989 1.00 0.77 C ATOM 1790 O GLY A 113 -12.141 2.022 -7.843 1.00 0.80 O ATOM 0 H GLY A 113 -9.530 5.324 -6.939 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -10.435 2.766 -6.140 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.349 4.259 -6.220 1.00 0.76 H new ATOM 1794 N PRO A 114 -11.485 3.702 -9.182 1.00 0.90 N ATOM 1795 CA PRO A 114 -12.154 3.176 -10.384 1.00 1.07 C ATOM 1796 C PRO A 114 -11.957 1.668 -10.626 1.00 0.90 C ATOM 1797 O PRO A 114 -12.829 1.018 -11.206 1.00 1.05 O ATOM 1798 CB PRO A 114 -11.524 3.976 -11.536 1.00 1.40 C ATOM 1799 CG PRO A 114 -10.538 4.909 -10.907 1.00 1.38 C ATOM 1800 CD PRO A 114 -10.921 5.023 -9.463 1.00 1.03 C ATOM 0 HA PRO A 114 -13.234 3.287 -10.286 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -11.033 3.312 -12.247 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -12.285 4.528 -12.088 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -9.522 4.527 -11.010 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -10.562 5.884 -11.393 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -10.060 5.240 -8.830 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -11.647 5.819 -9.297 1.00 1.03 H new ATOM 1808 N ARG A 115 -10.827 1.103 -10.194 1.00 0.72 N ATOM 1809 CA ARG A 115 -10.568 -0.309 -10.411 1.00 0.74 C ATOM 1810 C ARG A 115 -10.203 -1.006 -9.107 1.00 0.69 C ATOM 1811 O ARG A 115 -9.658 -2.110 -9.114 1.00 0.86 O ATOM 1812 CB ARG A 115 -9.466 -0.509 -11.459 1.00 0.96 C ATOM 1813 CG ARG A 115 -9.892 -0.122 -12.869 1.00 1.39 C ATOM 1814 CD ARG A 115 -11.134 -0.885 -13.301 1.00 1.63 C ATOM 1815 NE ARG A 115 -11.578 -0.515 -14.644 1.00 1.81 N ATOM 1816 CZ ARG A 115 -12.734 0.094 -14.904 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -13.533 0.470 -13.910 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -13.082 0.337 -16.160 1.00 2.62 N ATOM 0 H ARG A 115 -10.088 1.601 -9.698 1.00 0.72 H new ATOM 0 HA ARG A 115 -11.485 -0.761 -10.790 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -8.595 0.082 -11.176 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -9.157 -1.554 -11.455 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -10.088 0.949 -12.910 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -9.078 -0.324 -13.565 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -10.928 -1.955 -13.272 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -11.939 -0.696 -12.590 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.966 -0.736 -15.429 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -13.262 0.293 -12.943 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -14.417 0.936 -14.115 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -12.465 0.058 -16.923 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -13.966 0.803 -16.363 1.00 2.62 H new ATOM 1832 N THR A 116 -10.497 -0.351 -7.992 1.00 0.61 N ATOM 1833 CA THR A 116 -10.364 -0.971 -6.694 1.00 0.75 C ATOM 1834 C THR A 116 -11.581 -1.853 -6.433 1.00 0.85 C ATOM 1835 O THR A 116 -12.621 -1.422 -5.938 1.00 1.23 O ATOM 1836 CB THR A 116 -10.186 0.053 -5.570 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.288 0.963 -5.536 1.00 0.93 O ATOM 1838 CG2 THR A 116 -8.885 0.835 -5.737 1.00 1.13 C ATOM 0 H THR A 116 -10.830 0.613 -7.968 1.00 0.61 H new ATOM 0 HA THR A 116 -9.459 -1.579 -6.702 1.00 0.75 H new ATOM 0 HB THR A 116 -10.146 -0.497 -4.630 1.00 0.93 H new ATOM 0 HG1 THR A 116 -11.692 1.022 -6.427 1.00 0.93 H new ATOM 0 HG21 THR A 116 -8.786 1.555 -4.924 1.00 1.13 H new ATOM 0 HG22 THR A 116 -8.041 0.146 -5.716 1.00 1.13 H new ATOM 0 HG23 THR A 116 -8.898 1.364 -6.690 1.00 1.13 H new ATOM 1846 N HIS A 117 -11.391 -3.099 -6.774 1.00 0.70 N ATOM 1847 CA HIS A 117 -12.436 -4.086 -6.977 1.00 0.77 C ATOM 1848 C HIS A 117 -11.711 -5.208 -7.659 1.00 0.68 C ATOM 1849 O HIS A 117 -10.499 -5.076 -7.881 1.00 0.61 O ATOM 1850 CB HIS A 117 -13.550 -3.558 -7.897 1.00 0.89 C ATOM 1851 CG HIS A 117 -14.878 -3.363 -7.228 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -15.893 -4.293 -7.281 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -15.361 -2.327 -6.504 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -16.940 -3.834 -6.622 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -16.643 -2.645 -6.138 1.00 2.85 N ATOM 0 H HIS A 117 -10.457 -3.480 -6.927 1.00 0.70 H new ATOM 0 HA HIS A 117 -12.925 -4.367 -6.044 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -13.230 -2.607 -8.323 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -13.676 -4.253 -8.728 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -14.833 -1.417 -6.259 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -17.883 -4.347 -6.500 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -17.265 -2.058 -5.582 1.00 2.85 H new ATOM 1864 N TYR A 118 -12.347 -6.291 -8.047 1.00 0.73 N ATOM 1865 CA TYR A 118 -11.564 -7.198 -8.835 1.00 0.69 C ATOM 1866 C TYR A 118 -11.655 -6.704 -10.266 1.00 0.68 C ATOM 1867 O TYR A 118 -12.453 -7.157 -11.086 1.00 0.77 O ATOM 1868 CB TYR A 118 -12.074 -8.632 -8.706 1.00 0.78 C ATOM 1869 CG TYR A 118 -10.960 -9.652 -8.693 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -10.304 -9.989 -7.518 1.00 2.33 C ATOM 1871 CD2 TYR A 118 -10.575 -10.288 -9.866 1.00 1.90 C ATOM 1872 CE1 TYR A 118 -9.292 -10.931 -7.513 1.00 3.13 C ATOM 1873 CE2 TYR A 118 -9.565 -11.229 -9.868 1.00 2.72 C ATOM 1874 CZ TYR A 118 -8.893 -11.510 -8.650 1.00 3.19 C ATOM 1875 OH TYR A 118 -7.920 -12.488 -8.691 1.00 4.11 O ATOM 0 H TYR A 118 -13.315 -6.547 -7.851 1.00 0.73 H new ATOM 0 HA TYR A 118 -10.529 -7.219 -8.494 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -12.656 -8.725 -7.789 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -12.749 -8.848 -9.534 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -10.588 -9.508 -6.593 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -11.074 -10.042 -10.792 1.00 1.90 H new ATOM 0 HE1 TYR A 118 -8.819 -11.202 -6.581 1.00 3.13 H new ATOM 0 HE2 TYR A 118 -9.292 -11.741 -10.779 1.00 2.72 H new ATOM 0 HH TYR A 118 -7.933 -12.998 -7.854 1.00 4.11 H new ATOM 1885 N GLY A 119 -10.812 -5.707 -10.497 1.00 0.62 N ATOM 1886 CA GLY A 119 -10.549 -5.157 -11.797 1.00 0.65 C ATOM 1887 C GLY A 119 -9.140 -5.477 -12.198 1.00 0.65 C ATOM 1888 O GLY A 119 -8.817 -5.690 -13.366 1.00 0.73 O ATOM 0 H GLY A 119 -10.281 -5.252 -9.754 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -11.248 -5.567 -12.526 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -10.699 -4.077 -11.784 1.00 0.65 H new ATOM 1892 N GLN A 120 -8.300 -5.488 -11.171 1.00 0.60 N ATOM 1893 CA GLN A 120 -6.864 -5.547 -11.327 1.00 0.64 C ATOM 1894 C GLN A 120 -6.259 -6.449 -10.259 1.00 0.62 C ATOM 1895 O GLN A 120 -6.757 -6.508 -9.138 1.00 0.56 O ATOM 1896 CB GLN A 120 -6.293 -4.123 -11.210 1.00 0.67 C ATOM 1897 CG GLN A 120 -5.856 -3.544 -12.544 1.00 1.05 C ATOM 1898 CD GLN A 120 -4.614 -4.218 -13.103 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -4.461 -4.353 -14.311 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -3.700 -4.613 -12.227 1.00 2.13 N ATOM 0 H GLN A 120 -8.606 -5.456 -10.199 1.00 0.60 H new ATOM 0 HA GLN A 120 -6.615 -5.960 -12.305 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -7.046 -3.471 -10.767 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -5.442 -4.134 -10.529 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -6.671 -3.642 -13.261 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -5.663 -2.478 -12.426 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -3.862 -4.484 -11.228 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -2.835 -5.045 -12.552 1.00 2.13 H new ATOM 1909 N LYS A 121 -5.174 -7.143 -10.607 1.00 0.75 N ATOM 1910 CA LYS A 121 -4.468 -8.000 -9.649 1.00 0.78 C ATOM 1911 C LYS A 121 -3.651 -7.152 -8.689 1.00 0.70 C ATOM 1912 O LYS A 121 -2.865 -7.662 -7.898 1.00 0.75 O ATOM 1913 CB LYS A 121 -3.529 -8.983 -10.357 1.00 1.06 C ATOM 1914 CG LYS A 121 -4.224 -9.950 -11.301 1.00 1.43 C ATOM 1915 CD LYS A 121 -5.009 -11.006 -10.540 1.00 1.94 C ATOM 1916 CE LYS A 121 -5.583 -12.056 -11.478 1.00 2.28 C ATOM 1917 NZ LYS A 121 -6.317 -13.118 -10.743 1.00 2.85 N ATOM 0 H LYS A 121 -4.765 -7.130 -11.541 1.00 0.75 H new ATOM 0 HA LYS A 121 -5.223 -8.566 -9.103 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -2.787 -8.416 -10.919 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -2.988 -9.556 -9.604 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -4.897 -9.398 -11.958 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -3.483 -10.434 -11.937 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -4.360 -11.486 -9.808 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -5.818 -10.530 -9.985 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -6.255 -11.577 -12.190 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -4.776 -12.507 -12.055 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -6.721 -13.795 -11.422 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -5.662 -13.615 -10.106 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -7.083 -12.689 -10.186 1.00 2.85 H new ATOM 1931 N ALA A 122 -3.843 -5.854 -8.781 1.00 0.67 N ATOM 1932 CA ALA A 122 -3.189 -4.914 -7.904 1.00 0.72 C ATOM 1933 C ALA A 122 -3.997 -4.764 -6.621 1.00 0.54 C ATOM 1934 O ALA A 122 -3.712 -3.922 -5.770 1.00 0.59 O ATOM 1935 CB ALA A 122 -3.013 -3.595 -8.620 1.00 0.92 C ATOM 0 H ALA A 122 -4.460 -5.422 -9.469 1.00 0.67 H new ATOM 0 HA ALA A 122 -2.199 -5.279 -7.630 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -2.519 -2.884 -7.957 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -2.404 -3.744 -9.512 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -3.989 -3.204 -8.908 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.063 -5.551 -6.544 1.00 0.44 N ATOM 1942 CA ILE A 123 -5.817 -5.720 -5.316 1.00 0.44 C ATOM 1943 C ILE A 123 -5.268 -6.930 -4.544 1.00 0.40 C ATOM 1944 O ILE A 123 -5.750 -7.283 -3.469 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.324 -5.905 -5.622 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -7.806 -4.805 -6.574 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.160 -5.886 -4.345 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -7.669 -3.405 -6.017 1.00 1.37 C ATOM 0 H ILE A 123 -5.426 -6.088 -7.332 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.708 -4.825 -4.703 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.451 -6.879 -6.095 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.242 -4.871 -7.505 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -8.852 -4.986 -6.821 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.212 -6.018 -4.597 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.840 -6.695 -3.688 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -8.026 -4.931 -3.837 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -8.031 -2.685 -6.750 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -8.256 -3.318 -5.103 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -6.621 -3.202 -5.796 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.241 -7.566 -5.109 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.557 -8.665 -4.441 1.00 0.43 C ATOM 1962 C LEU A 124 -2.250 -8.152 -3.859 1.00 0.37 C ATOM 1963 O LEU A 124 -1.259 -7.989 -4.577 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.293 -9.833 -5.404 1.00 0.63 C ATOM 1965 CG LEU A 124 -4.513 -10.692 -5.774 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -5.492 -9.922 -6.652 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -4.065 -11.969 -6.469 1.00 1.83 C ATOM 0 H LEU A 124 -3.867 -7.336 -6.029 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.196 -9.042 -3.643 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -2.865 -9.431 -6.322 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.539 -10.482 -4.958 1.00 0.63 H new ATOM 0 HG LEU A 124 -5.032 -10.954 -4.852 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -6.342 -10.559 -6.894 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -5.842 -9.038 -6.119 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -4.993 -9.617 -7.572 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -4.938 -12.569 -6.726 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -3.518 -11.716 -7.377 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -3.417 -12.538 -5.802 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.256 -7.899 -2.558 1.00 0.37 N ATOM 1980 CA PHE A 125 -1.172 -7.187 -1.913 1.00 0.45 C ATOM 1981 C PHE A 125 -0.172 -8.121 -1.247 1.00 0.36 C ATOM 1982 O PHE A 125 -0.548 -9.121 -0.626 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.740 -6.240 -0.856 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.821 -5.319 -1.359 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -2.495 -4.118 -1.965 1.00 1.00 C ATOM 1986 CD2 PHE A 125 -4.159 -5.657 -1.232 1.00 1.05 C ATOM 1987 CE1 PHE A 125 -3.480 -3.272 -2.433 1.00 1.05 C ATOM 1988 CE2 PHE A 125 -5.147 -4.814 -1.698 1.00 1.18 C ATOM 1989 CZ PHE A 125 -4.821 -3.621 -2.272 1.00 0.85 C ATOM 0 H PHE A 125 -3.007 -8.180 -1.928 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.645 -6.634 -2.691 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.139 -6.832 -0.032 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.927 -5.638 -0.451 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -1.457 -3.839 -2.073 1.00 1.00 H new ATOM 0 HD2 PHE A 125 -4.432 -6.591 -0.763 1.00 1.05 H new ATOM 0 HE1 PHE A 125 -3.214 -2.346 -2.921 1.00 1.05 H new ATOM 0 HE2 PHE A 125 -6.184 -5.101 -1.608 1.00 1.18 H new ATOM 0 HZ PHE A 125 -5.599 -2.948 -2.601 1.00 0.85 H new ATOM 1999 N LEU A 126 1.108 -7.783 -1.380 1.00 0.36 N ATOM 2000 CA LEU A 126 2.160 -8.484 -0.672 1.00 0.49 C ATOM 2001 C LEU A 126 3.131 -7.467 -0.078 1.00 0.48 C ATOM 2002 O LEU A 126 3.791 -6.724 -0.806 1.00 0.49 O ATOM 2003 CB LEU A 126 2.894 -9.448 -1.612 1.00 0.68 C ATOM 2004 CG LEU A 126 3.955 -10.332 -0.949 1.00 1.22 C ATOM 2005 CD1 LEU A 126 3.316 -11.262 0.073 1.00 1.98 C ATOM 2006 CD2 LEU A 126 4.708 -11.132 -2.001 1.00 1.96 C ATOM 0 H LEU A 126 1.436 -7.023 -1.976 1.00 0.36 H new ATOM 0 HA LEU A 126 1.721 -9.073 0.133 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.157 -10.092 -2.092 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.371 -8.867 -2.401 1.00 0.68 H new ATOM 0 HG LEU A 126 4.664 -9.689 -0.428 1.00 1.22 H new ATOM 0 HD11 LEU A 126 4.086 -11.882 0.533 1.00 1.98 H new ATOM 0 HD12 LEU A 126 2.819 -10.671 0.842 1.00 1.98 H new ATOM 0 HD13 LEU A 126 2.585 -11.900 -0.423 1.00 1.98 H new ATOM 0 HD21 LEU A 126 5.459 -11.756 -1.516 1.00 1.96 H new ATOM 0 HD22 LEU A 126 4.008 -11.765 -2.547 1.00 1.96 H new ATOM 0 HD23 LEU A 126 5.197 -10.449 -2.696 1.00 1.96 H new ATOM 2018 N PRO A 127 3.223 -7.416 1.251 1.00 0.54 N ATOM 2019 CA PRO A 127 4.117 -6.521 1.955 1.00 0.55 C ATOM 2020 C PRO A 127 5.319 -7.255 2.538 1.00 0.53 C ATOM 2021 O PRO A 127 5.192 -8.032 3.489 1.00 0.66 O ATOM 2022 CB PRO A 127 3.204 -6.015 3.076 1.00 0.72 C ATOM 2023 CG PRO A 127 2.197 -7.116 3.305 1.00 0.81 C ATOM 2024 CD PRO A 127 2.387 -8.140 2.204 1.00 0.68 C ATOM 0 HA PRO A 127 4.546 -5.745 1.321 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.773 -5.809 3.983 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.711 -5.086 2.791 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.344 -7.573 4.284 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.182 -6.718 3.288 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.875 -9.044 2.569 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.438 -8.445 1.763 1.00 0.68 H new ATOM 2032 N LEU A 128 6.493 -7.011 1.975 1.00 0.44 N ATOM 2033 CA LEU A 128 7.691 -7.710 2.424 1.00 0.46 C ATOM 2034 C LEU A 128 8.728 -6.707 2.893 1.00 0.39 C ATOM 2035 O LEU A 128 8.976 -5.711 2.223 1.00 0.39 O ATOM 2036 CB LEU A 128 8.268 -8.619 1.326 1.00 0.56 C ATOM 2037 CG LEU A 128 8.420 -7.997 -0.065 1.00 0.98 C ATOM 2038 CD1 LEU A 128 9.537 -8.691 -0.832 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.115 -8.105 -0.843 1.00 1.47 C ATOM 0 H LEU A 128 6.643 -6.345 1.217 1.00 0.44 H new ATOM 0 HA LEU A 128 7.413 -8.354 3.259 1.00 0.46 H new ATOM 0 HB2 LEU A 128 9.247 -8.969 1.652 1.00 0.56 H new ATOM 0 HB3 LEU A 128 7.628 -9.497 1.239 1.00 0.56 H new ATOM 0 HG LEU A 128 8.671 -6.943 0.055 1.00 0.98 H new ATOM 0 HD11 LEU A 128 9.635 -8.240 -1.819 1.00 1.34 H new ATOM 0 HD12 LEU A 128 10.475 -8.581 -0.288 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.302 -9.750 -0.939 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.241 -7.658 -1.829 1.00 1.47 H new ATOM 0 HD22 LEU A 128 6.843 -9.155 -0.953 1.00 1.47 H new ATOM 0 HD23 LEU A 128 6.326 -7.580 -0.305 1.00 1.47 H new ATOM 2051 N PRO A 129 9.358 -6.968 4.044 1.00 0.41 N ATOM 2052 CA PRO A 129 10.218 -5.991 4.709 1.00 0.40 C ATOM 2053 C PRO A 129 11.632 -5.978 4.146 1.00 0.48 C ATOM 2054 O PRO A 129 12.058 -6.924 3.475 1.00 0.55 O ATOM 2055 CB PRO A 129 10.202 -6.485 6.149 1.00 0.48 C ATOM 2056 CG PRO A 129 10.105 -7.967 6.033 1.00 0.68 C ATOM 2057 CD PRO A 129 9.289 -8.239 4.794 1.00 0.53 C ATOM 0 HA PRO A 129 9.874 -4.965 4.583 1.00 0.40 H new ATOM 0 HB2 PRO A 129 11.105 -6.187 6.681 1.00 0.48 H new ATOM 0 HB3 PRO A 129 9.357 -6.074 6.701 1.00 0.48 H new ATOM 0 HG2 PRO A 129 11.095 -8.417 5.954 1.00 0.68 H new ATOM 0 HG3 PRO A 129 9.629 -8.396 6.915 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.701 -9.067 4.217 1.00 0.53 H new ATOM 0 HD3 PRO A 129 8.261 -8.503 5.041 1.00 0.53 H new ATOM 2065 N VAL A 130 12.359 -4.902 4.425 1.00 0.56 N ATOM 2066 CA VAL A 130 13.642 -4.676 3.762 1.00 0.76 C ATOM 2067 C VAL A 130 14.727 -5.566 4.353 1.00 0.97 C ATOM 2068 O VAL A 130 14.739 -5.865 5.548 1.00 1.03 O ATOM 2069 CB VAL A 130 14.106 -3.203 3.838 1.00 0.93 C ATOM 2070 CG1 VAL A 130 15.327 -2.969 2.959 1.00 1.43 C ATOM 2071 CG2 VAL A 130 12.989 -2.252 3.440 1.00 1.36 C ATOM 0 H VAL A 130 12.089 -4.181 5.095 1.00 0.56 H new ATOM 0 HA VAL A 130 13.483 -4.927 2.713 1.00 0.76 H new ATOM 0 HB VAL A 130 14.378 -3.001 4.874 1.00 0.93 H new ATOM 0 HG11 VAL A 130 15.632 -1.925 3.031 1.00 1.43 H new ATOM 0 HG12 VAL A 130 16.143 -3.610 3.292 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.080 -3.204 1.924 1.00 1.43 H new ATOM 0 HG21 VAL A 130 13.346 -1.224 3.504 1.00 1.36 H new ATOM 0 HG22 VAL A 130 12.677 -2.465 2.418 1.00 1.36 H new ATOM 0 HG23 VAL A 130 12.142 -2.384 4.113 1.00 1.36 H new ATOM 2081 N SER A 131 15.643 -5.968 3.501 1.00 1.27 N ATOM 2082 CA SER A 131 16.725 -6.844 3.895 1.00 1.65 C ATOM 2083 C SER A 131 17.773 -6.063 4.678 1.00 1.86 C ATOM 2084 O SER A 131 18.299 -5.056 4.198 1.00 1.88 O ATOM 2085 CB SER A 131 17.361 -7.473 2.654 1.00 2.07 C ATOM 2086 OG SER A 131 16.373 -8.044 1.813 1.00 2.32 O ATOM 0 H SER A 131 15.660 -5.698 2.518 1.00 1.27 H new ATOM 0 HA SER A 131 16.327 -7.634 4.532 1.00 1.65 H new ATOM 0 HB2 SER A 131 17.919 -6.716 2.103 1.00 2.07 H new ATOM 0 HB3 SER A 131 18.075 -8.240 2.955 1.00 2.07 H new ATOM 0 HG SER A 131 16.802 -8.439 1.025 1.00 2.32 H new ATOM 2092 N SER A 132 18.067 -6.521 5.880 1.00 2.21 N ATOM 2093 CA SER A 132 19.092 -5.899 6.696 1.00 2.54 C ATOM 2094 C SER A 132 20.016 -6.969 7.249 1.00 3.02 C ATOM 2095 O SER A 132 19.798 -7.505 8.336 1.00 3.59 O ATOM 2096 CB SER A 132 18.473 -5.083 7.836 1.00 2.98 C ATOM 2097 OG SER A 132 19.430 -4.221 8.436 1.00 2.97 O ATOM 0 H SER A 132 17.610 -7.323 6.314 1.00 2.21 H new ATOM 0 HA SER A 132 19.665 -5.212 6.073 1.00 2.54 H new ATOM 0 HB2 SER A 132 17.640 -4.494 7.453 1.00 2.98 H new ATOM 0 HB3 SER A 132 18.066 -5.758 8.589 1.00 2.98 H new ATOM 0 HG SER A 132 19.005 -3.713 9.158 1.00 2.97 H new ATOM 2103 N ASP A 133 21.028 -7.294 6.473 1.00 3.06 N ATOM 2104 CA ASP A 133 22.018 -8.266 6.876 1.00 3.74 C ATOM 2105 C ASP A 133 23.399 -7.655 6.748 1.00 3.96 C ATOM 2106 O ASP A 133 23.915 -7.586 5.614 1.00 4.33 O ATOM 2107 CB ASP A 133 21.914 -9.531 6.029 1.00 3.99 C ATOM 2108 CG ASP A 133 22.936 -10.570 6.430 1.00 4.66 C ATOM 2109 OD1 ASP A 133 22.729 -11.247 7.457 1.00 5.12 O ATOM 2110 OD2 ASP A 133 23.949 -10.722 5.720 1.00 5.00 O ATOM 2111 OXT ASP A 133 23.943 -7.202 7.773 1.00 4.10 O ATOM 0 H ASP A 133 21.186 -6.893 5.549 1.00 3.06 H new ATOM 0 HA ASP A 133 21.840 -8.545 7.914 1.00 3.74 H new ATOM 0 HB2 ASP A 133 20.913 -9.951 6.127 1.00 3.99 H new ATOM 0 HB3 ASP A 133 22.051 -9.275 4.978 1.00 3.99 H new TER 2116 ASP A 133