USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1085 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 67 CYS SG : rot -124:sc= 1.1 USER MOD Set 1.2: A 98 SER OG : rot 76:sc= 2.4 USER MOD Set 2.1: A 52 THR OG1 : rot -16:sc= 0.133 USER MOD Set 2.2: A 53 ASN : amide:sc= 0.0453 K(o=0.16,f=-0.9) USER MOD Set 2.3: A 87 GLN : amide:sc= -0.0203 X(o=0.16,f=-0.31) USER MOD Set 3.1: A 22 ASN : amide:sc= -1.16! C(o=-6.9!,f=-10!) USER MOD Set 3.2: A 37 TYR OH : rot -164:sc= -5.69! USER MOD Single : A 10 ASN : amide:sc= -0.338 K(o=-0.34,f=-5.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= -0.0105 (180deg=-0.103) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= -0.0111 (180deg=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00136) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0321) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 10:sc= 0.476 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.048 (180deg=-0.278) USER MOD Single : A 36 HIS : no HE2:sc= -0.66 K(o=-0.66,f=-5.7!) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0392) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.0179 (180deg=-0.213) USER MOD Single : A 46 THR OG1 : rot -9:sc= 1.22 USER MOD Single : A 47 ASN : amide:sc= -2.62! K(o=-2.6!,f=-0.76) USER MOD Single : A 48 MET CE :methyl -129:sc= -7.83! (180deg=-9.29!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -5.35! K(o=-5.3!,f=-2.1) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0.793 (180deg=0.755) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot -2:sc= -11.2! USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0775) USER MOD Single : A 81 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.0074) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 156:sc= -1.24 (180deg=-2.09!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.143 X(o=0.14,f=-0.014) USER MOD Single : A 99 TYR OH : rot 15:sc= -0.329 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 171:sc= 0.813 (180deg=0.749) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0356) USER MOD Single : A 110 HIS : no HD1:sc=-0.00256 X(o=-0.0026,f=-0.0013) USER MOD Single : A 112 TYR OH : rot -175:sc= 0.334 USER MOD Single : A 113 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.0028) USER MOD Single : A 114 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0112) USER MOD Single : A 115 SER OG : rot 128:sc= -0.0143 USER MOD Single : A 119 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-4!) USER MOD Single : A 121 THR OG1 : rot -75:sc= 0.00514 USER MOD Single : A 126 LYS NZ :NH3+ -163:sc= -0.0678 (180deg=-0.386) USER MOD Single : A 127 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.19) USER MOD Single : A 128 CYS SG : rot 180:sc= -2.78! USER MOD Single : A 129 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.9!) USER MOD Single : A 130 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.85) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 173:sc= 0.811 (180deg=0.681) USER MOD Single : A 138 GLN : amide:sc= -0.0319 X(o=-0.032,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.263 -6.044 2.508 1.00 1.26 N ATOM 2 CA GLU A 9 24.450 -6.298 1.298 1.00 1.05 C ATOM 3 C GLU A 9 23.249 -5.363 1.259 1.00 0.90 C ATOM 4 O GLU A 9 22.688 -4.995 2.296 1.00 0.98 O ATOM 5 CB GLU A 9 23.966 -7.748 1.257 1.00 1.37 C ATOM 6 CG GLU A 9 23.136 -8.058 0.022 1.00 2.20 C ATOM 7 CD GLU A 9 23.915 -7.869 -1.263 1.00 2.80 C ATOM 8 OE1 GLU A 9 24.017 -6.721 -1.734 1.00 3.20 O ATOM 9 OE2 GLU A 9 24.425 -8.865 -1.809 1.00 3.26 O ATOM 0 HA GLU A 9 25.081 -6.113 0.429 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.828 -8.415 1.287 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.373 -7.954 2.148 1.00 1.37 H new ATOM 0 HG2 GLU A 9 22.777 -9.086 0.078 1.00 2.20 H new ATOM 0 HG3 GLU A 9 22.257 -7.414 0.008 1.00 2.20 H new ATOM 18 N ASN A 10 22.848 -5.020 0.037 1.00 0.79 N ATOM 19 CA ASN A 10 21.803 -4.038 -0.209 1.00 0.66 C ATOM 20 C ASN A 10 20.467 -4.433 0.409 1.00 0.59 C ATOM 21 O ASN A 10 19.630 -3.576 0.638 1.00 0.53 O ATOM 22 CB ASN A 10 21.640 -3.773 -1.715 1.00 0.62 C ATOM 23 CG ASN A 10 21.450 -5.035 -2.540 1.00 1.14 C ATOM 24 OD1 ASN A 10 20.935 -6.044 -2.060 1.00 1.94 O ATOM 25 ND2 ASN A 10 21.866 -4.983 -3.794 1.00 1.45 N ATOM 0 H ASN A 10 23.244 -5.420 -0.814 1.00 0.79 H new ATOM 0 HA ASN A 10 22.122 -3.118 0.280 1.00 0.66 H new ATOM 0 HB2 ASN A 10 20.784 -3.117 -1.869 1.00 0.62 H new ATOM 0 HB3 ASN A 10 22.519 -3.241 -2.079 1.00 0.62 H new ATOM 0 HD21 ASN A 10 21.765 -5.798 -4.399 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.288 -4.128 -4.156 1.00 1.45 H new ATOM 32 N LYS A 11 20.264 -5.716 0.672 1.00 0.63 N ATOM 33 CA LYS A 11 19.026 -6.179 1.297 1.00 0.62 C ATOM 34 C LYS A 11 18.863 -5.567 2.689 1.00 0.62 C ATOM 35 O LYS A 11 17.800 -5.042 3.031 1.00 0.58 O ATOM 36 CB LYS A 11 19.011 -7.704 1.397 1.00 0.71 C ATOM 37 CG LYS A 11 19.238 -8.407 0.070 1.00 0.79 C ATOM 38 CD LYS A 11 19.118 -9.913 0.218 1.00 1.12 C ATOM 39 CE LYS A 11 19.462 -10.630 -1.077 1.00 1.50 C ATOM 40 NZ LYS A 11 19.409 -12.108 -0.923 1.00 2.19 N ATOM 0 H LYS A 11 20.936 -6.455 0.465 1.00 0.63 H new ATOM 0 HA LYS A 11 18.193 -5.858 0.672 1.00 0.62 H new ATOM 0 HB2 LYS A 11 19.780 -8.020 2.101 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.053 -8.023 1.807 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.512 -8.052 -0.661 1.00 0.79 H new ATOM 0 HG3 LYS A 11 20.226 -8.154 -0.314 1.00 0.79 H new ATOM 0 HD2 LYS A 11 19.782 -10.255 1.012 1.00 1.12 H new ATOM 0 HD3 LYS A 11 18.102 -10.170 0.519 1.00 1.12 H new ATOM 0 HE2 LYS A 11 18.768 -10.321 -1.858 1.00 1.50 H new ATOM 0 HE3 LYS A 11 20.460 -10.334 -1.402 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 19.650 -12.560 -1.828 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 20.090 -12.406 -0.195 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 18.450 -12.393 -0.638 1.00 2.19 H new ATOM 54 N LYS A 12 19.931 -5.618 3.478 1.00 0.70 N ATOM 55 CA LYS A 12 19.915 -5.063 4.825 1.00 0.74 C ATOM 56 C LYS A 12 19.935 -3.543 4.768 1.00 0.66 C ATOM 57 O LYS A 12 19.288 -2.868 5.570 1.00 0.63 O ATOM 58 CB LYS A 12 21.110 -5.571 5.633 1.00 0.90 C ATOM 59 CG LYS A 12 21.089 -7.070 5.895 1.00 1.54 C ATOM 60 CD LYS A 12 19.870 -7.494 6.706 1.00 2.02 C ATOM 61 CE LYS A 12 19.812 -6.802 8.064 1.00 2.38 C ATOM 62 NZ LYS A 12 21.012 -7.088 8.896 1.00 2.83 N ATOM 0 H LYS A 12 20.820 -6.039 3.207 1.00 0.70 H new ATOM 0 HA LYS A 12 18.999 -5.388 5.318 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.028 -5.318 5.102 1.00 0.90 H new ATOM 0 HB3 LYS A 12 21.139 -5.046 6.588 1.00 0.90 H new ATOM 0 HG2 LYS A 12 21.095 -7.604 4.945 1.00 1.54 H new ATOM 0 HG3 LYS A 12 21.996 -7.357 6.427 1.00 1.54 H new ATOM 0 HD2 LYS A 12 18.964 -7.265 6.144 1.00 2.02 H new ATOM 0 HD3 LYS A 12 19.890 -8.574 6.851 1.00 2.02 H new ATOM 0 HE2 LYS A 12 19.723 -5.726 7.917 1.00 2.38 H new ATOM 0 HE3 LYS A 12 18.918 -7.126 8.596 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 20.875 -6.696 9.850 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 21.152 -8.116 8.961 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 21.849 -6.651 8.460 1.00 2.83 H new ATOM 76 N GLN A 13 20.680 -3.013 3.806 1.00 0.64 N ATOM 77 CA GLN A 13 20.738 -1.581 3.577 1.00 0.59 C ATOM 78 C GLN A 13 19.376 -1.048 3.149 1.00 0.50 C ATOM 79 O GLN A 13 18.989 0.062 3.508 1.00 0.49 O ATOM 80 CB GLN A 13 21.786 -1.278 2.513 1.00 0.62 C ATOM 81 CG GLN A 13 23.155 -0.935 3.066 1.00 0.90 C ATOM 82 CD GLN A 13 23.807 -2.091 3.801 1.00 1.51 C ATOM 83 OE1 GLN A 13 24.540 -2.884 3.210 1.00 2.07 O ATOM 84 NE2 GLN A 13 23.543 -2.200 5.093 1.00 2.26 N ATOM 0 H GLN A 13 21.256 -3.562 3.168 1.00 0.64 H new ATOM 0 HA GLN A 13 21.017 -1.085 4.507 1.00 0.59 H new ATOM 0 HB2 GLN A 13 21.879 -2.142 1.855 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.436 -0.447 1.901 1.00 0.62 H new ATOM 0 HG2 GLN A 13 23.803 -0.621 2.247 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.064 -0.086 3.744 1.00 0.90 H new ATOM 0 HE21 GLN A 13 22.930 -1.523 5.547 1.00 2.26 H new ATOM 0 HE22 GLN A 13 23.952 -2.961 5.635 1.00 2.26 H new ATOM 93 N ALA A 14 18.651 -1.859 2.389 1.00 0.46 N ATOM 94 CA ALA A 14 17.314 -1.510 1.937 1.00 0.38 C ATOM 95 C ALA A 14 16.385 -1.313 3.121 1.00 0.39 C ATOM 96 O ALA A 14 15.494 -0.468 3.093 1.00 0.36 O ATOM 97 CB ALA A 14 16.772 -2.588 1.013 1.00 0.36 C ATOM 0 H ALA A 14 18.973 -2.773 2.071 1.00 0.46 H new ATOM 0 HA ALA A 14 17.370 -0.572 1.384 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.770 -2.314 0.682 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.426 -2.687 0.147 1.00 0.36 H new ATOM 0 HB3 ALA A 14 16.731 -3.538 1.547 1.00 0.36 H new ATOM 103 N LEU A 15 16.600 -2.100 4.167 1.00 0.45 N ATOM 104 CA LEU A 15 15.810 -1.969 5.381 1.00 0.47 C ATOM 105 C LEU A 15 16.054 -0.591 5.989 1.00 0.49 C ATOM 106 O LEU A 15 15.115 0.095 6.397 1.00 0.49 O ATOM 107 CB LEU A 15 16.170 -3.091 6.373 1.00 0.54 C ATOM 108 CG LEU A 15 15.152 -3.379 7.495 1.00 1.13 C ATOM 109 CD1 LEU A 15 15.125 -2.265 8.530 1.00 1.98 C ATOM 110 CD2 LEU A 15 13.761 -3.595 6.918 1.00 1.31 C ATOM 0 H LEU A 15 17.311 -2.831 4.198 1.00 0.45 H new ATOM 0 HA LEU A 15 14.750 -2.065 5.146 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.321 -4.010 5.807 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.125 -2.842 6.836 1.00 0.54 H new ATOM 0 HG LEU A 15 15.472 -4.293 7.996 1.00 1.13 H new ATOM 0 HD11 LEU A 15 14.396 -2.505 9.304 1.00 1.98 H new ATOM 0 HD12 LEU A 15 16.112 -2.163 8.981 1.00 1.98 H new ATOM 0 HD13 LEU A 15 14.848 -1.327 8.048 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.059 -3.797 7.727 1.00 1.31 H new ATOM 0 HD22 LEU A 15 13.447 -2.701 6.380 1.00 1.31 H new ATOM 0 HD23 LEU A 15 13.779 -4.443 6.233 1.00 1.31 H new ATOM 122 N LYS A 16 17.315 -0.175 5.998 1.00 0.51 N ATOM 123 CA LYS A 16 17.680 1.131 6.524 1.00 0.54 C ATOM 124 C LYS A 16 17.138 2.243 5.631 1.00 0.48 C ATOM 125 O LYS A 16 16.674 3.266 6.126 1.00 0.49 O ATOM 126 CB LYS A 16 19.198 1.260 6.667 1.00 0.62 C ATOM 127 CG LYS A 16 19.634 2.610 7.212 1.00 0.79 C ATOM 128 CD LYS A 16 21.140 2.705 7.357 1.00 1.64 C ATOM 129 CE LYS A 16 21.565 4.090 7.820 1.00 1.89 C ATOM 130 NZ LYS A 16 21.018 4.431 9.160 1.00 2.88 N ATOM 0 H LYS A 16 18.100 -0.724 5.647 1.00 0.51 H new ATOM 0 HA LYS A 16 17.233 1.229 7.513 1.00 0.54 H new ATOM 0 HB2 LYS A 16 19.563 0.473 7.328 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.663 1.100 5.694 1.00 0.62 H new ATOM 0 HG2 LYS A 16 19.283 3.400 6.547 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.165 2.778 8.182 1.00 0.79 H new ATOM 0 HD2 LYS A 16 21.486 1.958 8.072 1.00 1.64 H new ATOM 0 HD3 LYS A 16 21.614 2.477 6.403 1.00 1.64 H new ATOM 0 HE2 LYS A 16 22.653 4.142 7.851 1.00 1.89 H new ATOM 0 HE3 LYS A 16 21.231 4.831 7.094 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 21.454 5.312 9.499 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 19.988 4.558 9.092 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 21.229 3.662 9.827 1.00 2.88 H new ATOM 144 N GLU A 17 17.196 2.045 4.316 1.00 0.42 N ATOM 145 CA GLU A 17 16.618 3.003 3.381 1.00 0.38 C ATOM 146 C GLU A 17 15.110 3.125 3.597 1.00 0.35 C ATOM 147 O GLU A 17 14.542 4.208 3.454 1.00 0.34 O ATOM 148 CB GLU A 17 16.933 2.613 1.934 1.00 0.35 C ATOM 149 CG GLU A 17 18.389 2.798 1.555 1.00 0.39 C ATOM 150 CD GLU A 17 18.945 4.145 1.985 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.439 5.191 1.514 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.902 4.165 2.787 1.00 0.54 O ATOM 0 H GLU A 17 17.635 1.235 3.878 1.00 0.42 H new ATOM 0 HA GLU A 17 17.068 3.977 3.571 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.657 1.570 1.780 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.314 3.209 1.264 1.00 0.35 H new ATOM 0 HG2 GLU A 17 18.981 2.004 2.010 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.494 2.695 0.475 1.00 0.39 H new ATOM 159 N LYS A 18 14.462 2.022 3.964 1.00 0.34 N ATOM 160 CA LYS A 18 13.044 2.062 4.297 1.00 0.34 C ATOM 161 C LYS A 18 12.834 2.915 5.545 1.00 0.40 C ATOM 162 O LYS A 18 11.876 3.679 5.629 1.00 0.41 O ATOM 163 CB LYS A 18 12.476 0.653 4.519 1.00 0.34 C ATOM 164 CG LYS A 18 10.959 0.633 4.693 1.00 0.33 C ATOM 165 CD LYS A 18 10.420 -0.761 5.003 1.00 0.36 C ATOM 166 CE LYS A 18 10.853 -1.266 6.372 1.00 0.50 C ATOM 167 NZ LYS A 18 10.130 -0.581 7.476 1.00 0.80 N ATOM 0 H LYS A 18 14.892 1.100 4.037 1.00 0.34 H new ATOM 0 HA LYS A 18 12.510 2.505 3.456 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.746 0.023 3.672 1.00 0.34 H new ATOM 0 HB3 LYS A 18 12.942 0.216 5.402 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.681 1.313 5.498 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.488 1.006 3.784 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.331 -0.745 4.954 1.00 0.36 H new ATOM 0 HD3 LYS A 18 10.763 -1.457 4.238 1.00 0.36 H new ATOM 0 HE2 LYS A 18 10.676 -2.340 6.434 1.00 0.50 H new ATOM 0 HE3 LYS A 18 11.925 -1.113 6.492 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 10.444 -0.968 8.389 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.333 0.439 7.444 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 9.107 -0.734 7.369 1.00 0.80 H new ATOM 181 N GLU A 19 13.748 2.791 6.503 1.00 0.46 N ATOM 182 CA GLU A 19 13.702 3.583 7.729 1.00 0.52 C ATOM 183 C GLU A 19 13.976 5.049 7.438 1.00 0.50 C ATOM 184 O GLU A 19 13.315 5.922 7.985 1.00 0.53 O ATOM 185 CB GLU A 19 14.719 3.064 8.743 1.00 0.58 C ATOM 186 CG GLU A 19 14.504 1.616 9.140 1.00 0.63 C ATOM 187 CD GLU A 19 15.486 1.165 10.196 1.00 1.32 C ATOM 188 OE1 GLU A 19 16.605 0.744 9.830 1.00 2.32 O ATOM 189 OE2 GLU A 19 15.146 1.211 11.392 1.00 1.29 O ATOM 0 H GLU A 19 14.535 2.144 6.453 1.00 0.46 H new ATOM 0 HA GLU A 19 12.700 3.489 8.148 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.721 3.172 8.327 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.677 3.686 9.637 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.488 1.490 9.513 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.602 0.981 8.260 1.00 0.63 H new ATOM 196 N LEU A 20 14.954 5.305 6.584 1.00 0.47 N ATOM 197 CA LEU A 20 15.299 6.664 6.186 1.00 0.46 C ATOM 198 C LEU A 20 14.134 7.326 5.457 1.00 0.43 C ATOM 199 O LEU A 20 13.815 8.490 5.701 1.00 0.45 O ATOM 200 CB LEU A 20 16.546 6.649 5.292 1.00 0.45 C ATOM 201 CG LEU A 20 17.874 6.963 5.984 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.859 8.376 6.536 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.165 5.962 7.089 1.00 0.60 C ATOM 0 H LEU A 20 15.529 4.583 6.149 1.00 0.47 H new ATOM 0 HA LEU A 20 15.513 7.244 7.084 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.624 5.665 4.829 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.400 7.369 4.487 1.00 0.45 H new ATOM 0 HG LEU A 20 18.670 6.885 5.243 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.810 8.585 7.026 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.707 9.083 5.721 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.049 8.476 7.259 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.115 6.210 7.563 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.368 5.998 7.832 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.221 4.959 6.666 1.00 0.60 H new ATOM 215 N GLY A 21 13.505 6.576 4.560 1.00 0.39 N ATOM 216 CA GLY A 21 12.323 7.067 3.879 1.00 0.37 C ATOM 217 C GLY A 21 11.186 7.279 4.847 1.00 0.40 C ATOM 218 O GLY A 21 10.584 8.343 4.883 1.00 0.41 O ATOM 0 H GLY A 21 13.793 5.635 4.292 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.554 8.005 3.374 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.022 6.356 3.109 1.00 0.37 H new ATOM 222 N ASN A 22 10.917 6.268 5.654 1.00 0.43 N ATOM 223 CA ASN A 22 9.869 6.337 6.667 1.00 0.47 C ATOM 224 C ASN A 22 10.105 7.496 7.638 1.00 0.53 C ATOM 225 O ASN A 22 9.166 8.129 8.112 1.00 0.56 O ATOM 226 CB ASN A 22 9.819 5.012 7.430 1.00 0.52 C ATOM 227 CG ASN A 22 8.697 4.947 8.440 1.00 0.59 C ATOM 228 OD1 ASN A 22 8.897 5.191 9.625 1.00 1.27 O ATOM 229 ND2 ASN A 22 7.505 4.614 7.971 1.00 1.23 N ATOM 0 H ASN A 22 11.414 5.378 5.629 1.00 0.43 H new ATOM 0 HA ASN A 22 8.916 6.514 6.169 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.706 4.195 6.718 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.769 4.859 7.942 1.00 0.52 H new ATOM 0 HD21 ASN A 22 6.707 4.552 8.603 1.00 1.23 H new ATOM 0 HD22 ASN A 22 7.384 4.419 6.977 1.00 1.23 H new ATOM 236 N ASP A 23 11.366 7.761 7.921 1.00 0.54 N ATOM 237 CA ASP A 23 11.760 8.859 8.800 1.00 0.59 C ATOM 238 C ASP A 23 11.391 10.206 8.187 1.00 0.58 C ATOM 239 O ASP A 23 10.745 11.037 8.830 1.00 0.62 O ATOM 240 CB ASP A 23 13.264 8.789 9.039 1.00 0.61 C ATOM 241 CG ASP A 23 13.756 9.821 10.032 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.659 9.569 11.254 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.213 10.899 9.598 1.00 0.79 O ATOM 0 H ASP A 23 12.151 7.224 7.551 1.00 0.54 H new ATOM 0 HA ASP A 23 11.229 8.763 9.747 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.523 7.794 9.400 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.783 8.929 8.091 1.00 0.61 H new ATOM 248 N ALA A 24 11.803 10.408 6.940 1.00 0.53 N ATOM 249 CA ALA A 24 11.451 11.607 6.184 1.00 0.53 C ATOM 250 C ALA A 24 9.935 11.706 6.026 1.00 0.53 C ATOM 251 O ALA A 24 9.363 12.794 6.020 1.00 0.58 O ATOM 252 CB ALA A 24 12.132 11.566 4.828 1.00 0.49 C ATOM 0 H ALA A 24 12.388 9.749 6.426 1.00 0.53 H new ATOM 0 HA ALA A 24 11.792 12.490 6.724 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.870 12.460 4.262 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.213 11.526 4.965 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.803 10.682 4.282 1.00 0.49 H new ATOM 258 N TYR A 25 9.306 10.544 5.920 1.00 0.48 N ATOM 259 CA TYR A 25 7.854 10.418 5.823 1.00 0.49 C ATOM 260 C TYR A 25 7.172 11.089 7.016 1.00 0.59 C ATOM 261 O TYR A 25 6.169 11.786 6.862 1.00 0.63 O ATOM 262 CB TYR A 25 7.516 8.925 5.765 1.00 0.46 C ATOM 263 CG TYR A 25 6.069 8.581 5.514 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.566 8.496 4.224 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.199 8.386 6.574 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.233 8.216 3.999 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.864 8.112 6.360 1.00 0.68 C ATOM 268 CZ TYR A 25 3.428 7.869 5.035 1.00 0.54 C ATOM 269 OH TYR A 25 2.053 7.761 4.847 1.00 0.63 O ATOM 0 H TYR A 25 9.794 9.649 5.898 1.00 0.48 H new ATOM 0 HA TYR A 25 7.490 10.917 4.925 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.118 8.467 4.980 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.819 8.468 6.707 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.227 8.651 3.384 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.572 8.450 7.585 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.831 8.273 2.998 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.167 8.083 7.185 1.00 0.68 H new ATOM 0 HH TYR A 25 1.627 7.503 5.691 1.00 0.63 H new ATOM 279 N LYS A 26 7.741 10.887 8.201 1.00 0.65 N ATOM 280 CA LYS A 26 7.232 11.504 9.424 1.00 0.77 C ATOM 281 C LYS A 26 7.439 13.015 9.409 1.00 0.81 C ATOM 282 O LYS A 26 6.645 13.768 9.972 1.00 0.94 O ATOM 283 CB LYS A 26 7.938 10.920 10.654 1.00 0.82 C ATOM 284 CG LYS A 26 7.238 9.726 11.283 1.00 0.86 C ATOM 285 CD LYS A 26 7.192 8.536 10.345 1.00 1.03 C ATOM 286 CE LYS A 26 7.321 7.230 11.105 1.00 0.90 C ATOM 287 NZ LYS A 26 6.231 7.042 12.100 1.00 1.62 N ATOM 0 H LYS A 26 8.561 10.297 8.341 1.00 0.65 H new ATOM 0 HA LYS A 26 6.164 11.292 9.475 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.947 10.623 10.369 1.00 0.82 H new ATOM 0 HB3 LYS A 26 8.036 11.703 11.405 1.00 0.82 H new ATOM 0 HG2 LYS A 26 7.755 9.445 12.201 1.00 0.86 H new ATOM 0 HG3 LYS A 26 6.223 10.007 11.562 1.00 0.86 H new ATOM 0 HD2 LYS A 26 6.255 8.545 9.789 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.997 8.615 9.614 1.00 1.03 H new ATOM 0 HE2 LYS A 26 7.312 6.400 10.399 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.284 7.204 11.616 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 6.294 6.088 12.508 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 6.326 7.749 12.857 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 5.310 7.158 11.632 1.00 1.62 H new ATOM 301 N LYS A 27 8.502 13.447 8.748 1.00 0.75 N ATOM 302 CA LYS A 27 8.919 14.844 8.773 1.00 0.80 C ATOM 303 C LYS A 27 8.322 15.634 7.613 1.00 0.79 C ATOM 304 O LYS A 27 8.800 16.725 7.291 1.00 0.84 O ATOM 305 CB LYS A 27 10.445 14.918 8.715 1.00 0.80 C ATOM 306 CG LYS A 27 11.130 14.188 9.857 1.00 1.16 C ATOM 307 CD LYS A 27 12.622 14.027 9.613 1.00 1.58 C ATOM 308 CE LYS A 27 13.329 15.367 9.491 1.00 1.93 C ATOM 309 NZ LYS A 27 14.791 15.204 9.276 1.00 2.31 N ATOM 0 H LYS A 27 9.098 12.844 8.181 1.00 0.75 H new ATOM 0 HA LYS A 27 8.555 15.289 9.699 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.786 14.497 7.769 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.751 15.964 8.727 1.00 0.80 H new ATOM 0 HG2 LYS A 27 10.971 14.736 10.786 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.675 13.206 9.985 1.00 1.16 H new ATOM 0 HD2 LYS A 27 13.063 13.458 10.431 1.00 1.58 H new ATOM 0 HD3 LYS A 27 12.780 13.450 8.702 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.900 15.930 8.662 1.00 1.93 H new ATOM 0 HE3 LYS A 27 13.158 15.952 10.395 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 15.237 16.140 9.198 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 15.205 14.689 10.079 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 14.955 14.668 8.400 1.00 2.31 H new ATOM 323 N LYS A 28 7.273 15.085 6.996 1.00 0.77 N ATOM 324 CA LYS A 28 6.638 15.689 5.823 1.00 0.80 C ATOM 325 C LYS A 28 7.631 15.898 4.684 1.00 0.71 C ATOM 326 O LYS A 28 7.385 16.672 3.757 1.00 0.75 O ATOM 327 CB LYS A 28 5.971 17.001 6.204 1.00 0.96 C ATOM 328 CG LYS A 28 4.981 16.843 7.343 1.00 1.07 C ATOM 329 CD LYS A 28 4.283 18.146 7.667 1.00 1.24 C ATOM 330 CE LYS A 28 5.265 19.220 8.105 1.00 1.77 C ATOM 331 NZ LYS A 28 4.583 20.508 8.395 1.00 2.39 N ATOM 0 H LYS A 28 6.841 14.211 7.295 1.00 0.77 H new ATOM 0 HA LYS A 28 5.877 14.997 5.463 1.00 0.80 H new ATOM 0 HB2 LYS A 28 6.736 17.723 6.490 1.00 0.96 H new ATOM 0 HB3 LYS A 28 5.456 17.409 5.334 1.00 0.96 H new ATOM 0 HG2 LYS A 28 4.239 16.090 7.078 1.00 1.07 H new ATOM 0 HG3 LYS A 28 5.502 16.480 8.229 1.00 1.07 H new ATOM 0 HD2 LYS A 28 3.734 18.491 6.791 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.551 17.979 8.457 1.00 1.24 H new ATOM 0 HE2 LYS A 28 5.799 18.883 8.994 1.00 1.77 H new ATOM 0 HE3 LYS A 28 6.010 19.371 7.324 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 5.287 21.215 8.690 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 4.094 20.842 7.540 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 3.890 20.370 9.158 1.00 2.39 H new ATOM 345 N ASP A 29 8.741 15.184 4.752 1.00 0.64 N ATOM 346 CA ASP A 29 9.726 15.181 3.695 1.00 0.59 C ATOM 347 C ASP A 29 9.391 14.059 2.731 1.00 0.50 C ATOM 348 O ASP A 29 10.194 13.165 2.503 1.00 0.47 O ATOM 349 CB ASP A 29 11.133 14.991 4.278 1.00 0.60 C ATOM 350 CG ASP A 29 11.664 16.239 4.953 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.616 17.322 4.332 1.00 1.62 O ATOM 352 OD2 ASP A 29 12.133 16.148 6.109 1.00 1.39 O ATOM 0 H ASP A 29 8.981 14.590 5.546 1.00 0.64 H new ATOM 0 HA ASP A 29 9.710 16.135 3.168 1.00 0.59 H new ATOM 0 HB2 ASP A 29 11.115 14.174 4.999 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.815 14.697 3.480 1.00 0.60 H new ATOM 357 N PHE A 30 8.190 14.123 2.170 1.00 0.49 N ATOM 358 CA PHE A 30 7.628 13.024 1.393 1.00 0.44 C ATOM 359 C PHE A 30 8.459 12.705 0.153 1.00 0.42 C ATOM 360 O PHE A 30 8.571 11.542 -0.229 1.00 0.43 O ATOM 361 CB PHE A 30 6.175 13.327 1.028 1.00 0.45 C ATOM 362 CG PHE A 30 5.283 13.410 2.238 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.898 12.258 2.902 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.842 14.633 2.720 1.00 0.64 C ATOM 365 CE1 PHE A 30 4.092 12.321 4.021 1.00 0.58 C ATOM 366 CE2 PHE A 30 4.032 14.701 3.837 1.00 0.71 C ATOM 367 CZ PHE A 30 3.657 13.543 4.488 1.00 0.66 C ATOM 0 H PHE A 30 7.579 14.936 2.240 1.00 0.49 H new ATOM 0 HA PHE A 30 7.653 12.130 2.017 1.00 0.44 H new ATOM 0 HB2 PHE A 30 6.130 14.269 0.482 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.803 12.552 0.358 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.233 11.297 2.540 1.00 0.52 H new ATOM 0 HD2 PHE A 30 5.135 15.542 2.217 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.802 11.414 4.530 1.00 0.58 H new ATOM 0 HE2 PHE A 30 3.692 15.660 4.201 1.00 0.71 H new ATOM 0 HZ PHE A 30 3.024 13.594 5.362 1.00 0.66 H new ATOM 377 N ASP A 31 9.062 13.719 -0.462 1.00 0.46 N ATOM 378 CA ASP A 31 9.952 13.479 -1.600 1.00 0.48 C ATOM 379 C ASP A 31 11.167 12.686 -1.149 1.00 0.44 C ATOM 380 O ASP A 31 11.612 11.766 -1.825 1.00 0.42 O ATOM 381 CB ASP A 31 10.412 14.789 -2.258 1.00 0.57 C ATOM 382 CG ASP A 31 11.195 15.690 -1.319 1.00 1.30 C ATOM 383 OD1 ASP A 31 12.427 15.511 -1.188 1.00 1.93 O ATOM 384 OD2 ASP A 31 10.581 16.575 -0.697 1.00 1.61 O ATOM 0 H ASP A 31 8.955 14.699 -0.200 1.00 0.46 H new ATOM 0 HA ASP A 31 9.388 12.912 -2.341 1.00 0.48 H new ATOM 0 HB2 ASP A 31 11.030 14.555 -3.125 1.00 0.57 H new ATOM 0 HB3 ASP A 31 9.539 15.329 -2.625 1.00 0.57 H new ATOM 389 N THR A 32 11.680 13.042 0.015 1.00 0.45 N ATOM 390 CA THR A 32 12.843 12.392 0.580 1.00 0.45 C ATOM 391 C THR A 32 12.461 11.016 1.119 1.00 0.39 C ATOM 392 O THR A 32 13.229 10.055 1.024 1.00 0.38 O ATOM 393 CB THR A 32 13.423 13.259 1.707 1.00 0.50 C ATOM 394 OG1 THR A 32 13.683 14.584 1.215 1.00 0.57 O ATOM 395 CG2 THR A 32 14.700 12.661 2.266 1.00 0.52 C ATOM 0 H THR A 32 11.300 13.791 0.594 1.00 0.45 H new ATOM 0 HA THR A 32 13.597 12.267 -0.197 1.00 0.45 H new ATOM 0 HB THR A 32 12.689 13.301 2.512 1.00 0.50 H new ATOM 0 HG1 THR A 32 13.294 14.683 0.321 1.00 0.57 H new ATOM 0 HG21 THR A 32 15.083 13.300 3.061 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.492 11.669 2.666 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.443 12.584 1.473 1.00 0.52 H new ATOM 403 N ALA A 33 11.260 10.938 1.675 1.00 0.38 N ATOM 404 CA ALA A 33 10.700 9.685 2.143 1.00 0.36 C ATOM 405 C ALA A 33 10.639 8.693 1.009 1.00 0.30 C ATOM 406 O ALA A 33 11.247 7.623 1.061 1.00 0.28 O ATOM 407 CB ALA A 33 9.309 9.909 2.709 1.00 0.39 C ATOM 0 H ALA A 33 10.649 11.743 1.813 1.00 0.38 H new ATOM 0 HA ALA A 33 11.340 9.288 2.931 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.900 8.960 3.057 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.364 10.608 3.544 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.663 10.320 1.934 1.00 0.39 H new ATOM 413 N LEU A 34 9.924 9.084 -0.031 1.00 0.29 N ATOM 414 CA LEU A 34 9.770 8.269 -1.211 1.00 0.26 C ATOM 415 C LEU A 34 11.129 7.966 -1.823 1.00 0.26 C ATOM 416 O LEU A 34 11.343 6.899 -2.375 1.00 0.26 O ATOM 417 CB LEU A 34 8.890 8.991 -2.211 1.00 0.28 C ATOM 418 CG LEU A 34 8.228 8.101 -3.251 1.00 0.33 C ATOM 419 CD1 LEU A 34 9.153 7.858 -4.428 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.834 6.776 -2.639 1.00 0.53 C ATOM 0 H LEU A 34 9.435 9.978 -0.076 1.00 0.29 H new ATOM 0 HA LEU A 34 9.300 7.325 -0.937 1.00 0.26 H new ATOM 0 HB2 LEU A 34 8.112 9.527 -1.666 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.492 9.740 -2.726 1.00 0.28 H new ATOM 0 HG LEU A 34 7.335 8.615 -3.607 1.00 0.33 H new ATOM 0 HD11 LEU A 34 8.655 7.219 -5.157 1.00 0.81 H new ATOM 0 HD12 LEU A 34 9.407 8.810 -4.894 1.00 0.81 H new ATOM 0 HD13 LEU A 34 10.064 7.370 -4.080 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.362 6.151 -3.397 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.722 6.273 -2.257 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.134 6.947 -1.822 1.00 0.53 H new ATOM 432 N LYS A 35 12.042 8.915 -1.696 1.00 0.31 N ATOM 433 CA LYS A 35 13.375 8.792 -2.265 1.00 0.33 C ATOM 434 C LYS A 35 14.136 7.623 -1.644 1.00 0.29 C ATOM 435 O LYS A 35 14.713 6.804 -2.357 1.00 0.30 O ATOM 436 CB LYS A 35 14.148 10.093 -2.041 1.00 0.40 C ATOM 437 CG LYS A 35 15.083 10.473 -3.174 1.00 0.49 C ATOM 438 CD LYS A 35 14.319 10.902 -4.420 1.00 0.53 C ATOM 439 CE LYS A 35 13.567 12.213 -4.208 1.00 0.60 C ATOM 440 NZ LYS A 35 14.485 13.340 -3.894 1.00 1.41 N ATOM 0 H LYS A 35 11.881 9.790 -1.197 1.00 0.31 H new ATOM 0 HA LYS A 35 13.276 8.600 -3.333 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.435 10.903 -1.889 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.728 10.002 -1.123 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.735 11.284 -2.850 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.725 9.626 -3.415 1.00 0.49 H new ATOM 0 HD2 LYS A 35 15.015 11.014 -5.251 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.613 10.120 -4.699 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.995 12.451 -5.105 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.851 12.092 -3.395 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 13.975 14.241 -3.991 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.833 13.243 -2.919 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 15.290 13.326 -4.552 1.00 1.41 H new ATOM 454 N HIS A 36 14.144 7.537 -0.316 1.00 0.29 N ATOM 455 CA HIS A 36 14.830 6.432 0.355 1.00 0.29 C ATOM 456 C HIS A 36 14.031 5.157 0.215 1.00 0.25 C ATOM 457 O HIS A 36 14.593 4.070 0.158 1.00 0.27 O ATOM 458 CB HIS A 36 15.065 6.704 1.833 1.00 0.38 C ATOM 459 CG HIS A 36 16.004 7.820 2.113 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.372 7.690 2.046 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.760 9.090 2.485 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.934 8.841 2.363 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.976 9.710 2.634 1.00 0.46 N ATOM 0 H HIS A 36 13.693 8.205 0.309 1.00 0.29 H new ATOM 0 HA HIS A 36 15.801 6.328 -0.129 1.00 0.29 H new ATOM 0 HB2 HIS A 36 14.108 6.924 2.305 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.449 5.797 2.300 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.873 6.839 1.792 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.789 9.538 2.638 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.995 9.039 2.395 1.00 0.47 H new ATOM 472 N TYR A 37 12.714 5.289 0.179 1.00 0.22 N ATOM 473 CA TYR A 37 11.855 4.155 -0.099 1.00 0.21 C ATOM 474 C TYR A 37 12.189 3.582 -1.472 1.00 0.21 C ATOM 475 O TYR A 37 12.262 2.368 -1.659 1.00 0.24 O ATOM 476 CB TYR A 37 10.388 4.574 -0.058 1.00 0.22 C ATOM 477 CG TYR A 37 9.780 4.628 1.331 1.00 0.23 C ATOM 478 CD1 TYR A 37 9.977 3.597 2.237 1.00 0.33 C ATOM 479 CD2 TYR A 37 9.064 5.739 1.753 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.472 3.664 3.520 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.568 5.819 3.039 1.00 0.41 C ATOM 482 CZ TYR A 37 8.560 4.676 3.828 1.00 0.36 C ATOM 483 OH TYR A 37 8.306 4.869 5.208 1.00 0.48 O ATOM 0 H TYR A 37 12.221 6.168 0.338 1.00 0.22 H new ATOM 0 HA TYR A 37 12.022 3.394 0.663 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.292 5.557 -0.520 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.809 3.879 -0.666 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.536 2.725 1.933 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.892 6.554 1.065 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.776 2.949 4.270 1.00 0.40 H new ATOM 0 HE2 TYR A 37 8.192 6.755 3.425 1.00 0.41 H new ATOM 0 HH TYR A 37 7.491 5.401 5.319 1.00 0.48 H new ATOM 493 N ASP A 38 12.396 4.486 -2.418 1.00 0.25 N ATOM 494 CA ASP A 38 12.776 4.143 -3.782 1.00 0.31 C ATOM 495 C ASP A 38 14.175 3.541 -3.794 1.00 0.30 C ATOM 496 O ASP A 38 14.458 2.599 -4.535 1.00 0.32 O ATOM 497 CB ASP A 38 12.748 5.405 -4.645 1.00 0.42 C ATOM 498 CG ASP A 38 12.856 5.113 -6.125 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.870 4.616 -6.709 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.929 5.368 -6.714 1.00 1.51 O ATOM 0 H ASP A 38 12.304 5.489 -2.259 1.00 0.25 H new ATOM 0 HA ASP A 38 12.073 3.412 -4.182 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.822 5.948 -4.454 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.568 6.059 -4.349 1.00 0.42 H new ATOM 505 N LYS A 39 15.043 4.106 -2.963 1.00 0.30 N ATOM 506 CA LYS A 39 16.391 3.591 -2.768 1.00 0.32 C ATOM 507 C LYS A 39 16.327 2.167 -2.229 1.00 0.29 C ATOM 508 O LYS A 39 17.022 1.282 -2.709 1.00 0.32 O ATOM 509 CB LYS A 39 17.161 4.487 -1.796 1.00 0.35 C ATOM 510 CG LYS A 39 18.637 4.149 -1.688 1.00 0.41 C ATOM 511 CD LYS A 39 19.352 4.357 -3.011 1.00 0.47 C ATOM 512 CE LYS A 39 20.812 3.966 -2.916 1.00 0.54 C ATOM 513 NZ LYS A 39 21.590 4.891 -2.047 1.00 1.25 N ATOM 0 H LYS A 39 14.831 4.934 -2.406 1.00 0.30 H new ATOM 0 HA LYS A 39 16.911 3.585 -3.726 1.00 0.32 H new ATOM 0 HB2 LYS A 39 17.058 5.525 -2.114 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.707 4.410 -0.808 1.00 0.35 H new ATOM 0 HG2 LYS A 39 19.099 4.771 -0.921 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.752 3.113 -1.370 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.865 3.766 -3.787 1.00 0.47 H new ATOM 0 HD3 LYS A 39 19.272 5.402 -3.309 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.889 2.952 -2.524 1.00 0.54 H new ATOM 0 HE3 LYS A 39 21.249 3.956 -3.915 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.599 4.644 -2.093 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 21.457 5.869 -2.374 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.258 4.807 -1.065 1.00 1.25 H new ATOM 527 N ALA A 40 15.463 1.955 -1.247 1.00 0.25 N ATOM 528 CA ALA A 40 15.266 0.635 -0.659 1.00 0.24 C ATOM 529 C ALA A 40 14.773 -0.354 -1.707 1.00 0.22 C ATOM 530 O ALA A 40 15.050 -1.543 -1.622 1.00 0.26 O ATOM 531 CB ALA A 40 14.286 0.718 0.506 1.00 0.22 C ATOM 0 H ALA A 40 14.882 2.686 -0.837 1.00 0.25 H new ATOM 0 HA ALA A 40 16.224 0.278 -0.282 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.147 -0.274 0.936 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.681 1.392 1.267 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.328 1.096 0.149 1.00 0.22 H new ATOM 537 N LYS A 41 14.053 0.151 -2.697 1.00 0.23 N ATOM 538 CA LYS A 41 13.576 -0.673 -3.801 1.00 0.26 C ATOM 539 C LYS A 41 14.693 -0.914 -4.816 1.00 0.31 C ATOM 540 O LYS A 41 14.727 -1.942 -5.490 1.00 0.37 O ATOM 541 CB LYS A 41 12.392 0.012 -4.474 1.00 0.29 C ATOM 542 CG LYS A 41 11.882 -0.683 -5.718 1.00 0.41 C ATOM 543 CD LYS A 41 10.646 0.012 -6.255 1.00 0.78 C ATOM 544 CE LYS A 41 10.235 -0.542 -7.603 1.00 0.89 C ATOM 545 NZ LYS A 41 11.220 -0.210 -8.667 1.00 1.37 N ATOM 0 H LYS A 41 13.784 1.133 -2.760 1.00 0.23 H new ATOM 0 HA LYS A 41 13.259 -1.639 -3.408 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.576 0.086 -3.755 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.680 1.030 -4.735 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.661 -0.691 -6.481 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.649 -1.723 -5.489 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.825 -0.106 -5.547 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.839 1.081 -6.344 1.00 0.78 H new ATOM 0 HE2 LYS A 41 10.129 -1.625 -7.533 1.00 0.89 H new ATOM 0 HE3 LYS A 41 9.258 -0.143 -7.876 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.793 -0.377 -9.600 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 11.495 0.790 -8.586 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 12.063 -0.810 -8.560 1.00 1.37 H new ATOM 559 N GLU A 42 15.595 0.048 -4.930 1.00 0.32 N ATOM 560 CA GLU A 42 16.766 -0.101 -5.778 1.00 0.38 C ATOM 561 C GLU A 42 17.709 -1.119 -5.148 1.00 0.40 C ATOM 562 O GLU A 42 18.377 -1.894 -5.837 1.00 0.50 O ATOM 563 CB GLU A 42 17.474 1.248 -5.945 1.00 0.43 C ATOM 564 CG GLU A 42 18.587 1.236 -6.976 1.00 1.11 C ATOM 565 CD GLU A 42 19.302 2.567 -7.078 1.00 1.81 C ATOM 566 OE1 GLU A 42 18.826 3.450 -7.818 1.00 2.03 O ATOM 567 OE2 GLU A 42 20.350 2.732 -6.422 1.00 2.78 O ATOM 0 H GLU A 42 15.538 0.943 -4.444 1.00 0.32 H new ATOM 0 HA GLU A 42 16.460 -0.451 -6.764 1.00 0.38 H new ATOM 0 HB2 GLU A 42 16.738 2.001 -6.228 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.887 1.552 -4.983 1.00 0.43 H new ATOM 0 HG2 GLU A 42 19.307 0.460 -6.718 1.00 1.11 H new ATOM 0 HG3 GLU A 42 18.172 0.975 -7.950 1.00 1.11 H new ATOM 574 N LEU A 43 17.746 -1.105 -3.824 1.00 0.36 N ATOM 575 CA LEU A 43 18.537 -2.054 -3.063 1.00 0.39 C ATOM 576 C LEU A 43 17.869 -3.421 -3.065 1.00 0.39 C ATOM 577 O LEU A 43 18.490 -4.422 -3.421 1.00 0.49 O ATOM 578 CB LEU A 43 18.755 -1.555 -1.633 1.00 0.39 C ATOM 579 CG LEU A 43 19.968 -0.640 -1.461 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.862 0.531 -2.393 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.079 -0.149 -0.038 1.00 0.45 C ATOM 0 H LEU A 43 17.230 -0.437 -3.251 1.00 0.36 H new ATOM 0 HA LEU A 43 19.514 -2.149 -3.537 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.863 -1.020 -1.308 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.868 -2.416 -0.974 1.00 0.39 H new ATOM 0 HG LEU A 43 20.863 -1.215 -1.698 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.730 1.178 -2.264 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.825 0.175 -3.422 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.955 1.092 -2.170 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.950 0.500 0.056 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.181 0.409 0.225 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.187 -1.001 0.633 1.00 0.45 H new ATOM 593 N ASP A 44 16.600 -3.462 -2.689 1.00 0.32 N ATOM 594 CA ASP A 44 15.857 -4.709 -2.704 1.00 0.33 C ATOM 595 C ASP A 44 14.492 -4.533 -3.364 1.00 0.32 C ATOM 596 O ASP A 44 13.521 -4.134 -2.719 1.00 0.33 O ATOM 597 CB ASP A 44 15.675 -5.263 -1.297 1.00 0.40 C ATOM 598 CG ASP A 44 15.263 -6.724 -1.296 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.742 -7.200 -2.327 1.00 0.52 O ATOM 600 OD2 ASP A 44 15.444 -7.403 -0.261 1.00 1.11 O ATOM 0 H ASP A 44 16.068 -2.652 -2.372 1.00 0.32 H new ATOM 0 HA ASP A 44 16.441 -5.420 -3.288 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.607 -5.151 -0.743 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.920 -4.676 -0.774 1.00 0.40 H new ATOM 605 N PRO A 45 14.404 -4.833 -4.665 1.00 0.41 N ATOM 606 CA PRO A 45 13.151 -4.750 -5.419 1.00 0.49 C ATOM 607 C PRO A 45 12.193 -5.897 -5.114 1.00 0.47 C ATOM 608 O PRO A 45 11.009 -5.826 -5.446 1.00 0.59 O ATOM 609 CB PRO A 45 13.617 -4.834 -6.870 1.00 0.64 C ATOM 610 CG PRO A 45 14.866 -5.638 -6.802 1.00 0.63 C ATOM 611 CD PRO A 45 15.530 -5.246 -5.517 1.00 0.52 C ATOM 0 HA PRO A 45 12.594 -3.846 -5.172 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.869 -5.312 -7.502 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.802 -3.844 -7.288 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.646 -6.705 -6.820 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.512 -5.431 -7.656 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.081 -6.078 -5.079 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.242 -4.434 -5.664 1.00 0.52 H new ATOM 619 N THR A 46 12.703 -6.955 -4.492 1.00 0.39 N ATOM 620 CA THR A 46 11.884 -8.124 -4.198 1.00 0.40 C ATOM 621 C THR A 46 11.181 -7.967 -2.858 1.00 0.40 C ATOM 622 O THR A 46 10.210 -8.666 -2.563 1.00 0.42 O ATOM 623 CB THR A 46 12.708 -9.426 -4.201 1.00 0.42 C ATOM 624 OG1 THR A 46 13.746 -9.380 -3.210 1.00 0.45 O ATOM 625 CG2 THR A 46 13.322 -9.670 -5.569 1.00 0.46 C ATOM 0 H THR A 46 13.673 -7.027 -4.184 1.00 0.39 H new ATOM 0 HA THR A 46 11.140 -8.195 -4.992 1.00 0.40 H new ATOM 0 HB THR A 46 12.030 -10.246 -3.963 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.801 -8.476 -2.835 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.900 -10.594 -5.549 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.530 -9.753 -6.314 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.977 -8.838 -5.827 1.00 0.46 H new ATOM 633 N ASN A 47 11.674 -7.045 -2.046 1.00 0.52 N ATOM 634 CA ASN A 47 11.046 -6.752 -0.772 1.00 0.56 C ATOM 635 C ASN A 47 9.884 -5.803 -0.990 1.00 0.56 C ATOM 636 O ASN A 47 10.047 -4.580 -0.998 1.00 0.89 O ATOM 637 CB ASN A 47 12.049 -6.153 0.206 1.00 0.78 C ATOM 638 CG ASN A 47 11.493 -6.059 1.613 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.628 -6.987 2.408 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.866 -4.940 1.934 1.00 1.47 N ATOM 0 H ASN A 47 12.505 -6.489 -2.248 1.00 0.52 H new ATOM 0 HA ASN A 47 10.676 -7.682 -0.339 1.00 0.56 H new ATOM 0 HB2 ASN A 47 12.953 -6.762 0.215 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.337 -5.159 -0.136 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.474 -4.825 2.869 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.774 -4.192 1.247 1.00 1.47 H new ATOM 647 N MET A 48 8.707 -6.389 -1.160 1.00 0.29 N ATOM 648 CA MET A 48 7.505 -5.651 -1.520 1.00 0.26 C ATOM 649 C MET A 48 7.180 -4.538 -0.526 1.00 0.24 C ATOM 650 O MET A 48 6.536 -3.553 -0.882 1.00 0.24 O ATOM 651 CB MET A 48 6.321 -6.603 -1.608 1.00 0.22 C ATOM 652 CG MET A 48 5.868 -7.145 -0.264 1.00 0.19 C ATOM 653 SD MET A 48 4.313 -8.032 -0.374 1.00 1.05 S ATOM 654 CE MET A 48 3.254 -6.738 -1.012 1.00 0.27 C ATOM 0 H MET A 48 8.559 -7.392 -1.052 1.00 0.29 H new ATOM 0 HA MET A 48 7.695 -5.186 -2.487 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.486 -6.086 -2.081 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.586 -7.439 -2.255 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.635 -7.809 0.134 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.764 -6.320 0.441 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.359 -6.663 -0.394 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.789 -5.788 -0.994 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.969 -6.974 -2.037 1.00 0.27 H new ATOM 664 N THR A 49 7.630 -4.698 0.712 1.00 0.24 N ATOM 665 CA THR A 49 7.352 -3.732 1.764 1.00 0.26 C ATOM 666 C THR A 49 7.892 -2.350 1.407 1.00 0.28 C ATOM 667 O THR A 49 7.311 -1.330 1.776 1.00 0.39 O ATOM 668 CB THR A 49 7.963 -4.193 3.094 1.00 0.29 C ATOM 669 OG1 THR A 49 7.604 -5.559 3.342 1.00 0.71 O ATOM 670 CG2 THR A 49 7.491 -3.319 4.244 1.00 0.64 C ATOM 0 H THR A 49 8.193 -5.494 1.012 1.00 0.24 H new ATOM 0 HA THR A 49 6.269 -3.665 1.868 1.00 0.26 H new ATOM 0 HB THR A 49 9.047 -4.106 3.023 1.00 0.29 H new ATOM 0 HG1 THR A 49 7.997 -5.852 4.191 1.00 0.71 H new ATOM 0 HG21 THR A 49 7.939 -3.668 5.174 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.789 -2.286 4.063 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.405 -3.375 4.321 1.00 0.64 H new ATOM 678 N TYR A 50 8.987 -2.317 0.657 1.00 0.23 N ATOM 679 CA TYR A 50 9.591 -1.052 0.276 1.00 0.23 C ATOM 680 C TYR A 50 8.712 -0.351 -0.735 1.00 0.26 C ATOM 681 O TYR A 50 8.615 0.871 -0.756 1.00 0.42 O ATOM 682 CB TYR A 50 10.993 -1.260 -0.296 1.00 0.21 C ATOM 683 CG TYR A 50 11.917 -1.953 0.670 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.807 -1.732 2.033 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.890 -2.831 0.224 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.634 -2.370 2.927 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.727 -3.471 1.114 1.00 0.31 C ATOM 688 CZ TYR A 50 13.594 -3.240 2.465 1.00 0.34 C ATOM 689 OH TYR A 50 14.413 -3.896 3.354 1.00 0.44 O ATOM 0 H TYR A 50 9.469 -3.144 0.305 1.00 0.23 H new ATOM 0 HA TYR A 50 9.682 -0.432 1.168 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.924 -1.847 -1.212 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.417 -0.294 -0.568 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.058 -1.046 2.400 1.00 0.28 H new ATOM 0 HD2 TYR A 50 12.995 -3.017 -0.835 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.530 -2.189 3.987 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.484 -4.151 0.753 1.00 0.31 H new ATOM 0 HH TYR A 50 15.034 -4.473 2.862 1.00 0.44 H new ATOM 699 N ILE A 51 8.043 -1.151 -1.542 1.00 0.18 N ATOM 700 CA ILE A 51 7.211 -0.643 -2.608 1.00 0.19 C ATOM 701 C ILE A 51 5.866 -0.155 -2.066 1.00 0.19 C ATOM 702 O ILE A 51 5.353 0.882 -2.485 1.00 0.22 O ATOM 703 CB ILE A 51 6.974 -1.732 -3.672 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.309 -2.264 -4.202 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.122 -1.187 -4.810 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.175 -3.538 -5.006 1.00 0.33 C ATOM 0 H ILE A 51 8.063 -2.169 -1.475 1.00 0.18 H new ATOM 0 HA ILE A 51 7.731 0.199 -3.065 1.00 0.19 H new ATOM 0 HB ILE A 51 6.437 -2.559 -3.207 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.775 -1.499 -4.823 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.979 -2.443 -3.361 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.964 -1.969 -5.553 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.159 -0.858 -4.419 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.632 -0.343 -5.274 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.159 -3.857 -5.349 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.738 -4.318 -4.382 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.531 -3.359 -5.867 1.00 0.33 H new ATOM 718 N THR A 52 5.305 -0.901 -1.119 1.00 0.20 N ATOM 719 CA THR A 52 4.023 -0.536 -0.526 1.00 0.24 C ATOM 720 C THR A 52 4.160 0.729 0.311 1.00 0.24 C ATOM 721 O THR A 52 3.238 1.540 0.392 1.00 0.27 O ATOM 722 CB THR A 52 3.465 -1.672 0.356 1.00 0.27 C ATOM 723 OG1 THR A 52 4.393 -2.005 1.400 1.00 0.28 O ATOM 724 CG2 THR A 52 3.185 -2.907 -0.471 1.00 0.26 C ATOM 0 H THR A 52 5.716 -1.758 -0.747 1.00 0.20 H new ATOM 0 HA THR A 52 3.327 -0.357 -1.346 1.00 0.24 H new ATOM 0 HB THR A 52 2.534 -1.319 0.799 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.273 -1.630 1.188 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.792 -3.694 0.172 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.452 -2.670 -1.243 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.108 -3.248 -0.940 1.00 0.26 H new ATOM 732 N ASN A 53 5.322 0.887 0.924 1.00 0.25 N ATOM 733 CA ASN A 53 5.614 2.072 1.712 1.00 0.27 C ATOM 734 C ASN A 53 5.828 3.270 0.797 1.00 0.24 C ATOM 735 O ASN A 53 5.508 4.406 1.154 1.00 0.27 O ATOM 736 CB ASN A 53 6.837 1.834 2.592 1.00 0.34 C ATOM 737 CG ASN A 53 6.521 1.002 3.822 1.00 0.81 C ATOM 738 OD1 ASN A 53 5.628 0.154 3.806 1.00 1.59 O ATOM 739 ND2 ASN A 53 7.248 1.248 4.902 1.00 1.42 N ATOM 0 H ASN A 53 6.081 0.206 0.890 1.00 0.25 H new ATOM 0 HA ASN A 53 4.764 2.284 2.361 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.608 1.332 2.007 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.248 2.794 2.904 1.00 0.34 H new ATOM 0 HD21 ASN A 53 7.077 0.726 5.762 1.00 1.42 H new ATOM 0 HD22 ASN A 53 7.979 1.959 4.874 1.00 1.42 H new ATOM 746 N GLN A 54 6.368 3.006 -0.386 1.00 0.23 N ATOM 747 CA GLN A 54 6.465 4.017 -1.430 1.00 0.25 C ATOM 748 C GLN A 54 5.079 4.495 -1.821 1.00 0.25 C ATOM 749 O GLN A 54 4.809 5.696 -1.889 1.00 0.28 O ATOM 750 CB GLN A 54 7.138 3.447 -2.671 1.00 0.27 C ATOM 751 CG GLN A 54 8.632 3.278 -2.546 1.00 0.40 C ATOM 752 CD GLN A 54 9.222 2.604 -3.759 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.703 2.719 -4.867 1.00 1.27 O ATOM 754 NE2 GLN A 54 10.313 1.903 -3.563 1.00 1.34 N ATOM 0 H GLN A 54 6.747 2.096 -0.647 1.00 0.23 H new ATOM 0 HA GLN A 54 7.056 4.845 -1.039 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.693 2.479 -2.899 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.928 4.102 -3.517 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.098 4.254 -2.409 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.858 2.689 -1.657 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.713 1.832 -2.627 1.00 1.34 H new ATOM 0 HE22 GLN A 54 10.762 1.429 -4.346 1.00 1.34 H new ATOM 763 N ALA A 55 4.213 3.527 -2.084 1.00 0.24 N ATOM 764 CA ALA A 55 2.838 3.790 -2.469 1.00 0.25 C ATOM 765 C ALA A 55 2.145 4.679 -1.442 1.00 0.26 C ATOM 766 O ALA A 55 1.351 5.554 -1.789 1.00 0.30 O ATOM 767 CB ALA A 55 2.099 2.468 -2.627 1.00 0.24 C ATOM 0 H ALA A 55 4.447 2.535 -2.036 1.00 0.24 H new ATOM 0 HA ALA A 55 2.830 4.321 -3.421 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.066 2.661 -2.916 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.585 1.869 -3.397 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.116 1.926 -1.681 1.00 0.24 H new ATOM 773 N ALA A 56 2.481 4.460 -0.174 1.00 0.26 N ATOM 774 CA ALA A 56 1.929 5.245 0.918 1.00 0.27 C ATOM 775 C ALA A 56 2.300 6.718 0.789 1.00 0.26 C ATOM 776 O ALA A 56 1.492 7.595 1.103 1.00 0.30 O ATOM 777 CB ALA A 56 2.409 4.714 2.254 1.00 0.29 C ATOM 0 H ALA A 56 3.139 3.738 0.121 1.00 0.26 H new ATOM 0 HA ALA A 56 0.844 5.157 0.865 1.00 0.27 H new ATOM 0 HB1 ALA A 56 1.985 5.315 3.058 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.091 3.678 2.369 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.497 4.767 2.297 1.00 0.29 H new ATOM 783 N VAL A 57 3.524 6.991 0.330 1.00 0.26 N ATOM 784 CA VAL A 57 3.963 8.368 0.146 1.00 0.27 C ATOM 785 C VAL A 57 3.115 9.047 -0.905 1.00 0.26 C ATOM 786 O VAL A 57 2.661 10.163 -0.709 1.00 0.30 O ATOM 787 CB VAL A 57 5.435 8.507 -0.286 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.821 9.977 -0.301 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.353 7.721 0.627 1.00 0.30 C ATOM 0 H VAL A 57 4.217 6.285 0.083 1.00 0.26 H new ATOM 0 HA VAL A 57 3.856 8.835 1.125 1.00 0.27 H new ATOM 0 HB VAL A 57 5.545 8.096 -1.289 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.863 10.077 -0.607 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.184 10.513 -1.004 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.694 10.397 0.697 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.385 7.840 0.295 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.255 8.091 1.648 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.081 6.666 0.596 1.00 0.30 H new ATOM 799 N TYR A 58 2.904 8.363 -2.021 1.00 0.25 N ATOM 800 CA TYR A 58 2.092 8.899 -3.102 1.00 0.27 C ATOM 801 C TYR A 58 0.697 9.223 -2.612 1.00 0.28 C ATOM 802 O TYR A 58 0.098 10.198 -3.044 1.00 0.29 O ATOM 803 CB TYR A 58 2.020 7.912 -4.254 1.00 0.27 C ATOM 804 CG TYR A 58 3.300 7.823 -5.037 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.603 8.768 -6.002 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.209 6.807 -4.805 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.779 8.703 -6.715 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.388 6.735 -5.513 1.00 0.30 C ATOM 809 CZ TYR A 58 5.672 7.687 -6.467 1.00 0.33 C ATOM 810 OH TYR A 58 6.844 7.617 -7.177 1.00 0.37 O ATOM 0 H TYR A 58 3.285 7.434 -2.201 1.00 0.25 H new ATOM 0 HA TYR A 58 2.561 9.818 -3.454 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.771 6.925 -3.864 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.211 8.203 -4.924 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.906 9.569 -6.199 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.991 6.059 -4.057 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.999 9.447 -7.466 1.00 0.38 H new ATOM 0 HE2 TYR A 58 6.087 5.935 -5.321 1.00 0.30 H new ATOM 0 HH TYR A 58 7.362 6.841 -6.878 1.00 0.37 H new ATOM 820 N PHE A 59 0.192 8.414 -1.700 1.00 0.30 N ATOM 821 CA PHE A 59 -1.089 8.686 -1.085 1.00 0.32 C ATOM 822 C PHE A 59 -1.030 10.035 -0.364 1.00 0.35 C ATOM 823 O PHE A 59 -1.923 10.873 -0.507 1.00 0.42 O ATOM 824 CB PHE A 59 -1.461 7.564 -0.121 1.00 0.33 C ATOM 825 CG PHE A 59 -2.920 7.551 0.241 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.495 8.621 0.910 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.721 6.480 -0.109 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.839 8.624 1.216 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.066 6.476 0.203 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.624 7.550 0.863 1.00 0.47 C ATOM 0 H PHE A 59 0.650 7.564 -1.370 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.860 8.734 -1.854 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.196 6.606 -0.569 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.869 7.665 0.789 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.882 9.463 1.195 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.291 5.638 -0.631 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -5.275 9.467 1.731 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.681 5.631 -0.070 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.677 7.549 1.103 1.00 0.47 H new ATOM 840 N GLU A 60 0.052 10.244 0.377 1.00 0.34 N ATOM 841 CA GLU A 60 0.293 11.506 1.070 1.00 0.37 C ATOM 842 C GLU A 60 0.548 12.631 0.066 1.00 0.35 C ATOM 843 O GLU A 60 0.267 13.801 0.332 1.00 0.41 O ATOM 844 CB GLU A 60 1.497 11.363 1.993 1.00 0.39 C ATOM 845 CG GLU A 60 1.322 10.291 3.051 1.00 0.44 C ATOM 846 CD GLU A 60 0.228 10.609 4.047 1.00 0.91 C ATOM 847 OE1 GLU A 60 0.486 11.371 4.999 1.00 1.42 O ATOM 848 OE2 GLU A 60 -0.894 10.081 3.889 1.00 1.07 O ATOM 0 H GLU A 60 0.784 9.548 0.515 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.591 11.755 1.657 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.378 11.132 1.395 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.686 12.319 2.482 1.00 0.39 H new ATOM 0 HG2 GLU A 60 1.096 9.342 2.564 1.00 0.44 H new ATOM 0 HG3 GLU A 60 2.263 10.159 3.585 1.00 0.44 H new ATOM 855 N LYS A 61 1.091 12.251 -1.086 1.00 0.32 N ATOM 856 CA LYS A 61 1.438 13.193 -2.143 1.00 0.33 C ATOM 857 C LYS A 61 0.206 13.619 -2.941 1.00 0.35 C ATOM 858 O LYS A 61 0.209 14.661 -3.598 1.00 0.40 O ATOM 859 CB LYS A 61 2.478 12.571 -3.087 1.00 0.33 C ATOM 860 CG LYS A 61 3.826 12.323 -2.426 1.00 0.48 C ATOM 861 CD LYS A 61 4.977 12.373 -3.420 1.00 0.49 C ATOM 862 CE LYS A 61 4.852 11.330 -4.518 1.00 0.36 C ATOM 863 NZ LYS A 61 6.052 11.326 -5.399 1.00 1.10 N ATOM 0 H LYS A 61 1.303 11.279 -1.313 1.00 0.32 H new ATOM 0 HA LYS A 61 1.860 14.080 -1.670 1.00 0.33 H new ATOM 0 HB2 LYS A 61 2.091 11.627 -3.470 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.618 13.229 -3.945 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.989 13.069 -1.648 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.814 11.349 -1.937 1.00 0.48 H new ATOM 0 HD2 LYS A 61 5.019 13.365 -3.870 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.917 12.224 -2.889 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.722 10.344 -4.073 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.961 11.531 -5.114 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 6.000 10.518 -6.052 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 6.085 12.211 -5.944 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.910 11.246 -4.817 1.00 1.10 H new ATOM 877 N GLY A 62 -0.843 12.809 -2.885 1.00 0.34 N ATOM 878 CA GLY A 62 -2.040 13.085 -3.659 1.00 0.36 C ATOM 879 C GLY A 62 -2.088 12.261 -4.930 1.00 0.33 C ATOM 880 O GLY A 62 -2.990 12.411 -5.753 1.00 0.35 O ATOM 0 H GLY A 62 -0.887 11.963 -2.316 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -2.922 12.873 -3.054 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.074 14.145 -3.911 1.00 0.36 H new ATOM 884 N ASP A 63 -1.112 11.380 -5.075 1.00 0.31 N ATOM 885 CA ASP A 63 -0.999 10.520 -6.242 1.00 0.30 C ATOM 886 C ASP A 63 -1.608 9.154 -5.956 1.00 0.27 C ATOM 887 O ASP A 63 -0.895 8.158 -5.812 1.00 0.32 O ATOM 888 CB ASP A 63 0.467 10.363 -6.639 1.00 0.32 C ATOM 889 CG ASP A 63 1.027 11.593 -7.320 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.685 11.835 -8.500 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.806 12.328 -6.677 1.00 1.26 O ATOM 0 H ASP A 63 -0.374 11.241 -4.385 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.543 10.981 -7.066 1.00 0.30 H new ATOM 0 HB2 ASP A 63 1.058 10.146 -5.749 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.568 9.507 -7.306 1.00 0.32 H new ATOM 896 N TYR A 64 -2.931 9.110 -5.882 1.00 0.27 N ATOM 897 CA TYR A 64 -3.634 7.883 -5.522 1.00 0.28 C ATOM 898 C TYR A 64 -3.518 6.843 -6.631 1.00 0.29 C ATOM 899 O TYR A 64 -3.576 5.641 -6.373 1.00 0.34 O ATOM 900 CB TYR A 64 -5.105 8.177 -5.204 1.00 0.29 C ATOM 901 CG TYR A 64 -5.279 9.271 -4.173 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.111 9.010 -2.820 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.627 10.560 -4.552 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.283 10.004 -1.874 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.803 11.556 -3.614 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.568 11.285 -2.279 1.00 0.38 C ATOM 907 OH TYR A 64 -5.808 12.268 -1.341 1.00 0.43 O ATOM 0 H TYR A 64 -3.540 9.908 -6.066 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.165 7.474 -4.627 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.619 8.464 -6.121 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.582 7.266 -4.843 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.841 8.014 -2.501 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -5.762 10.787 -5.599 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.194 9.774 -0.823 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.122 12.541 -3.921 1.00 0.39 H new ATOM 0 HH TYR A 64 -5.992 13.116 -1.796 1.00 0.43 H new ATOM 917 N ASN A 65 -3.331 7.309 -7.863 1.00 0.31 N ATOM 918 CA ASN A 65 -3.156 6.405 -8.993 1.00 0.37 C ATOM 919 C ASN A 65 -1.810 5.704 -8.909 1.00 0.33 C ATOM 920 O ASN A 65 -1.715 4.500 -9.132 1.00 0.34 O ATOM 921 CB ASN A 65 -3.272 7.147 -10.321 1.00 0.47 C ATOM 922 CG ASN A 65 -3.203 6.212 -11.519 1.00 1.17 C ATOM 923 OD1 ASN A 65 -4.217 5.662 -11.945 1.00 1.66 O ATOM 924 ND2 ASN A 65 -2.013 6.032 -12.075 1.00 2.18 N ATOM 0 H ASN A 65 -3.297 8.300 -8.102 1.00 0.31 H new ATOM 0 HA ASN A 65 -3.951 5.661 -8.947 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -4.214 7.695 -10.346 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -2.472 7.884 -10.393 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -1.916 5.420 -12.885 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -1.195 6.506 -11.693 1.00 2.18 H new ATOM 931 N LYS A 66 -0.766 6.455 -8.575 1.00 0.34 N ATOM 932 CA LYS A 66 0.560 5.874 -8.439 1.00 0.32 C ATOM 933 C LYS A 66 0.615 4.939 -7.238 1.00 0.31 C ATOM 934 O LYS A 66 1.349 3.951 -7.244 1.00 0.32 O ATOM 935 CB LYS A 66 1.628 6.945 -8.291 1.00 0.29 C ATOM 936 CG LYS A 66 3.030 6.370 -8.296 1.00 0.40 C ATOM 937 CD LYS A 66 3.354 5.654 -9.592 1.00 0.63 C ATOM 938 CE LYS A 66 4.738 5.039 -9.526 1.00 0.42 C ATOM 939 NZ LYS A 66 5.114 4.357 -10.790 1.00 0.68 N ATOM 0 H LYS A 66 -0.813 7.458 -8.395 1.00 0.34 H new ATOM 0 HA LYS A 66 0.759 5.310 -9.350 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.531 7.665 -9.103 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.465 7.490 -7.361 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.750 7.173 -8.137 1.00 0.40 H new ATOM 0 HG3 LYS A 66 3.138 5.675 -7.463 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.613 4.877 -9.781 1.00 0.63 H new ATOM 0 HD3 LYS A 66 3.300 6.355 -10.425 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.468 5.817 -9.305 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.776 4.323 -8.705 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 6.068 3.953 -10.696 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 4.434 3.596 -10.990 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 5.105 5.044 -11.571 1.00 0.68 H new ATOM 953 N CYS A 67 -0.147 5.261 -6.202 1.00 0.31 N ATOM 954 CA CYS A 67 -0.282 4.364 -5.067 1.00 0.32 C ATOM 955 C CYS A 67 -0.832 3.029 -5.557 1.00 0.36 C ATOM 956 O CYS A 67 -0.304 1.968 -5.225 1.00 0.39 O ATOM 957 CB CYS A 67 -1.194 4.974 -3.999 1.00 0.33 C ATOM 958 SG CYS A 67 -1.513 3.897 -2.583 1.00 1.29 S ATOM 0 H CYS A 67 -0.676 6.130 -6.125 1.00 0.31 H new ATOM 0 HA CYS A 67 0.694 4.205 -4.609 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.744 5.900 -3.641 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.146 5.239 -4.460 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.795 3.736 -2.440 1.00 1.29 H new ATOM 964 N ARG A 68 -1.868 3.105 -6.392 1.00 0.38 N ATOM 965 CA ARG A 68 -2.464 1.930 -7.021 1.00 0.45 C ATOM 966 C ARG A 68 -1.421 1.196 -7.875 1.00 0.42 C ATOM 967 O ARG A 68 -1.355 -0.041 -7.888 1.00 0.48 O ATOM 968 CB ARG A 68 -3.669 2.372 -7.865 1.00 0.60 C ATOM 969 CG ARG A 68 -4.591 1.245 -8.306 1.00 1.00 C ATOM 970 CD ARG A 68 -4.038 0.475 -9.492 1.00 1.21 C ATOM 971 NE ARG A 68 -4.900 -0.645 -9.852 1.00 1.92 N ATOM 972 CZ ARG A 68 -4.465 -1.891 -10.026 1.00 2.48 C ATOM 973 NH1 ARG A 68 -3.171 -2.170 -9.946 1.00 2.64 N ATOM 974 NH2 ARG A 68 -5.321 -2.864 -10.298 1.00 3.39 N ATOM 0 H ARG A 68 -2.317 3.984 -6.651 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.808 1.234 -6.256 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.250 3.094 -7.291 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.303 2.890 -8.751 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.747 0.560 -7.473 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.566 1.658 -8.567 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -3.935 1.145 -10.346 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -3.040 0.106 -9.254 1.00 1.21 H new ATOM 0 HE ARG A 68 -5.896 -0.463 -9.978 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -2.500 -1.427 -9.750 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -2.846 -3.128 -10.081 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -6.317 -2.660 -10.375 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -4.984 -3.818 -10.431 1.00 3.39 H new ATOM 988 N GLU A 69 -0.605 1.976 -8.571 1.00 0.38 N ATOM 989 CA GLU A 69 0.490 1.446 -9.376 1.00 0.37 C ATOM 990 C GLU A 69 1.425 0.565 -8.544 1.00 0.31 C ATOM 991 O GLU A 69 1.713 -0.577 -8.909 1.00 0.34 O ATOM 992 CB GLU A 69 1.291 2.604 -9.987 1.00 0.38 C ATOM 993 CG GLU A 69 0.547 3.367 -11.069 1.00 0.67 C ATOM 994 CD GLU A 69 0.268 2.520 -12.292 1.00 1.20 C ATOM 995 OE1 GLU A 69 1.176 2.354 -13.131 1.00 1.19 O ATOM 996 OE2 GLU A 69 -0.868 2.021 -12.424 1.00 2.08 O ATOM 0 H GLU A 69 -0.682 2.993 -8.594 1.00 0.38 H new ATOM 0 HA GLU A 69 0.057 0.832 -10.166 1.00 0.37 H new ATOM 0 HB2 GLU A 69 1.570 3.298 -9.194 1.00 0.38 H new ATOM 0 HB3 GLU A 69 2.217 2.210 -10.406 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -0.395 3.737 -10.665 1.00 0.67 H new ATOM 0 HG3 GLU A 69 1.132 4.239 -11.361 1.00 0.67 H new ATOM 1003 N LEU A 70 1.863 1.087 -7.407 1.00 0.24 N ATOM 1004 CA LEU A 70 2.926 0.454 -6.644 1.00 0.21 C ATOM 1005 C LEU A 70 2.414 -0.658 -5.746 1.00 0.22 C ATOM 1006 O LEU A 70 3.105 -1.646 -5.537 1.00 0.23 O ATOM 1007 CB LEU A 70 3.664 1.490 -5.807 1.00 0.20 C ATOM 1008 CG LEU A 70 4.461 2.523 -6.598 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.141 3.478 -5.646 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.488 1.844 -7.493 1.00 0.24 C ATOM 0 H LEU A 70 1.499 1.946 -6.994 1.00 0.24 H new ATOM 0 HA LEU A 70 3.609 0.005 -7.365 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.938 2.014 -5.186 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.344 0.970 -5.133 1.00 0.20 H new ATOM 0 HG LEU A 70 3.776 3.081 -7.236 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.709 4.215 -6.214 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.389 3.987 -5.042 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.816 2.923 -4.994 1.00 0.22 H new ATOM 0 HD21 LEU A 70 6.044 2.600 -8.047 1.00 0.24 H new ATOM 0 HD22 LEU A 70 6.177 1.263 -6.880 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.979 1.182 -8.193 1.00 0.24 H new ATOM 1022 N CYS A 71 1.216 -0.503 -5.210 1.00 0.24 N ATOM 1023 CA CYS A 71 0.663 -1.501 -4.302 1.00 0.25 C ATOM 1024 C CYS A 71 0.537 -2.854 -4.978 1.00 0.24 C ATOM 1025 O CYS A 71 1.086 -3.843 -4.497 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.700 -1.065 -3.797 1.00 0.32 C ATOM 1027 SG CYS A 71 -1.788 -0.451 -5.088 1.00 1.10 S ATOM 0 H CYS A 71 0.608 0.298 -5.384 1.00 0.24 H new ATOM 0 HA CYS A 71 1.351 -1.593 -3.462 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.180 -1.908 -3.301 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.567 -0.286 -3.046 1.00 0.32 H new ATOM 0 HG CYS A 71 -1.158 -0.456 -6.225 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.182 -2.898 -6.091 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.389 -4.156 -6.793 1.00 0.26 C ATOM 1035 C GLU A 72 0.920 -4.669 -7.394 1.00 0.23 C ATOM 1036 O GLU A 72 1.092 -5.872 -7.581 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.461 -4.012 -7.861 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.729 -4.793 -7.554 1.00 0.87 C ATOM 1039 CD GLU A 72 -3.256 -5.543 -8.760 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -3.594 -4.887 -9.765 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -3.350 -6.785 -8.702 1.00 1.68 O ATOM 0 H GLU A 72 -0.627 -2.088 -6.523 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.735 -4.893 -6.068 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.711 -2.957 -7.974 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -1.059 -4.348 -8.817 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -2.530 -5.500 -6.749 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.496 -4.107 -7.193 1.00 0.87 H new ATOM 1048 N LYS A 73 1.841 -3.752 -7.689 1.00 0.23 N ATOM 1049 CA LYS A 73 3.199 -4.126 -8.074 1.00 0.23 C ATOM 1050 C LYS A 73 3.867 -4.860 -6.924 1.00 0.20 C ATOM 1051 O LYS A 73 4.345 -5.979 -7.081 1.00 0.21 O ATOM 1052 CB LYS A 73 4.013 -2.877 -8.465 1.00 0.27 C ATOM 1053 CG LYS A 73 5.531 -3.031 -8.357 1.00 0.33 C ATOM 1054 CD LYS A 73 6.062 -4.193 -9.181 1.00 0.57 C ATOM 1055 CE LYS A 73 5.866 -3.982 -10.667 1.00 0.60 C ATOM 1056 NZ LYS A 73 6.700 -2.867 -11.194 1.00 1.23 N ATOM 0 H LYS A 73 1.671 -2.747 -7.668 1.00 0.23 H new ATOM 0 HA LYS A 73 3.156 -4.785 -8.941 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.763 -2.606 -9.491 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.702 -2.047 -7.831 1.00 0.27 H new ATOM 0 HG2 LYS A 73 6.010 -2.109 -8.686 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.804 -3.177 -7.312 1.00 0.33 H new ATOM 0 HD2 LYS A 73 7.123 -4.328 -8.973 1.00 0.57 H new ATOM 0 HD3 LYS A 73 5.558 -5.111 -8.877 1.00 0.57 H new ATOM 0 HE2 LYS A 73 6.114 -4.901 -11.198 1.00 0.60 H new ATOM 0 HE3 LYS A 73 4.815 -3.772 -10.867 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 6.650 -2.857 -12.233 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 6.346 -1.963 -10.822 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 7.687 -3.001 -10.896 1.00 1.23 H new ATOM 1070 N ALA A 74 3.873 -4.220 -5.767 1.00 0.19 N ATOM 1071 CA ALA A 74 4.447 -4.789 -4.565 1.00 0.17 C ATOM 1072 C ALA A 74 3.815 -6.131 -4.254 1.00 0.16 C ATOM 1073 O ALA A 74 4.508 -7.098 -3.971 1.00 0.16 O ATOM 1074 CB ALA A 74 4.264 -3.827 -3.404 1.00 0.18 C ATOM 0 H ALA A 74 3.478 -3.289 -5.637 1.00 0.19 H new ATOM 0 HA ALA A 74 5.513 -4.950 -4.725 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.697 -4.259 -2.502 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.762 -2.884 -3.630 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.201 -3.646 -3.245 1.00 0.18 H new ATOM 1080 N ILE A 75 2.497 -6.183 -4.327 1.00 0.16 N ATOM 1081 CA ILE A 75 1.772 -7.414 -4.073 1.00 0.16 C ATOM 1082 C ILE A 75 2.159 -8.490 -5.075 1.00 0.17 C ATOM 1083 O ILE A 75 2.363 -9.644 -4.702 1.00 0.18 O ATOM 1084 CB ILE A 75 0.252 -7.178 -4.106 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.153 -6.289 -2.937 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.506 -8.496 -4.069 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.641 -6.074 -2.830 1.00 0.23 C ATOM 0 H ILE A 75 1.906 -5.385 -4.561 1.00 0.16 H new ATOM 0 HA ILE A 75 2.045 -7.757 -3.075 1.00 0.16 H new ATOM 0 HB ILE A 75 -0.005 -6.677 -5.039 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.209 -6.734 -2.010 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.339 -5.322 -3.039 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.578 -8.300 -4.093 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.228 -9.100 -4.933 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.256 -9.034 -3.154 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.855 -5.432 -1.976 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.007 -5.600 -3.741 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.139 -7.034 -2.696 1.00 0.23 H new ATOM 1099 N GLU A 76 2.286 -8.107 -6.338 1.00 0.18 N ATOM 1100 CA GLU A 76 2.720 -9.038 -7.367 1.00 0.21 C ATOM 1101 C GLU A 76 4.120 -9.550 -7.046 1.00 0.20 C ATOM 1102 O GLU A 76 4.395 -10.747 -7.132 1.00 0.24 O ATOM 1103 CB GLU A 76 2.706 -8.357 -8.736 1.00 0.24 C ATOM 1104 CG GLU A 76 2.982 -9.300 -9.895 1.00 0.77 C ATOM 1105 CD GLU A 76 2.714 -8.654 -11.236 1.00 1.47 C ATOM 1106 OE1 GLU A 76 1.542 -8.634 -11.666 1.00 1.62 O ATOM 1107 OE2 GLU A 76 3.673 -8.159 -11.867 1.00 2.35 O ATOM 0 H GLU A 76 2.095 -7.162 -6.672 1.00 0.18 H new ATOM 0 HA GLU A 76 2.032 -9.883 -7.393 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.735 -7.886 -8.887 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.451 -7.561 -8.743 1.00 0.24 H new ATOM 0 HG2 GLU A 76 4.020 -9.629 -9.854 1.00 0.77 H new ATOM 0 HG3 GLU A 76 2.361 -10.190 -9.792 1.00 0.77 H new ATOM 1114 N VAL A 77 4.980 -8.625 -6.645 1.00 0.21 N ATOM 1115 CA VAL A 77 6.355 -8.922 -6.266 1.00 0.22 C ATOM 1116 C VAL A 77 6.422 -9.844 -5.046 1.00 0.21 C ATOM 1117 O VAL A 77 7.180 -10.817 -5.030 1.00 0.24 O ATOM 1118 CB VAL A 77 7.110 -7.607 -5.969 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.428 -7.865 -5.258 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.348 -6.834 -7.255 1.00 0.25 C ATOM 0 H VAL A 77 4.741 -7.636 -6.573 1.00 0.21 H new ATOM 0 HA VAL A 77 6.826 -9.440 -7.101 1.00 0.22 H new ATOM 0 HB VAL A 77 6.486 -7.010 -5.304 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.930 -6.917 -5.066 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.238 -8.373 -4.312 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.063 -8.491 -5.885 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.881 -5.910 -7.031 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.943 -7.439 -7.939 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.391 -6.597 -7.720 1.00 0.25 H new ATOM 1130 N GLY A 78 5.625 -9.542 -4.036 1.00 0.19 N ATOM 1131 CA GLY A 78 5.654 -10.314 -2.811 1.00 0.21 C ATOM 1132 C GLY A 78 5.006 -11.672 -2.966 1.00 0.21 C ATOM 1133 O GLY A 78 5.543 -12.675 -2.505 1.00 0.27 O ATOM 0 H GLY A 78 4.955 -8.773 -4.041 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.688 -10.443 -2.491 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.144 -9.759 -2.024 1.00 0.21 H new ATOM 1137 N ARG A 79 3.861 -11.708 -3.632 1.00 0.21 N ATOM 1138 CA ARG A 79 3.153 -12.959 -3.871 1.00 0.28 C ATOM 1139 C ARG A 79 3.991 -13.864 -4.774 1.00 0.28 C ATOM 1140 O ARG A 79 3.876 -15.090 -4.740 1.00 0.33 O ATOM 1141 CB ARG A 79 1.786 -12.664 -4.490 1.00 0.39 C ATOM 1142 CG ARG A 79 0.857 -13.861 -4.555 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.585 -13.421 -4.738 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.501 -14.557 -4.830 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.692 -14.603 -4.231 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.105 -13.581 -3.489 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.467 -15.668 -4.377 1.00 2.63 N ATOM 0 H ARG A 79 3.401 -10.883 -4.018 1.00 0.21 H new ATOM 0 HA ARG A 79 2.994 -13.480 -2.927 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.302 -11.875 -3.914 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.933 -12.278 -5.499 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.151 -14.509 -5.380 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.949 -14.447 -3.641 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.878 -12.786 -3.902 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.667 -12.816 -5.641 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.212 -15.362 -5.385 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.511 -12.759 -3.377 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -4.016 -13.618 -3.032 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.153 -16.453 -4.948 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.378 -15.703 -3.919 1.00 2.63 H new ATOM 1161 N GLU A 80 4.844 -13.235 -5.569 1.00 0.27 N ATOM 1162 CA GLU A 80 5.818 -13.943 -6.385 1.00 0.32 C ATOM 1163 C GLU A 80 6.845 -14.649 -5.511 1.00 0.31 C ATOM 1164 O GLU A 80 7.067 -15.855 -5.625 1.00 0.37 O ATOM 1165 CB GLU A 80 6.560 -12.947 -7.273 1.00 0.36 C ATOM 1166 CG GLU A 80 7.739 -13.552 -8.010 1.00 0.57 C ATOM 1167 CD GLU A 80 7.316 -14.276 -9.267 1.00 1.18 C ATOM 1168 OE1 GLU A 80 6.967 -13.604 -10.258 1.00 1.22 O ATOM 1169 OE2 GLU A 80 7.357 -15.523 -9.278 1.00 1.96 O ATOM 0 H GLU A 80 4.880 -12.220 -5.666 1.00 0.27 H new ATOM 0 HA GLU A 80 5.284 -14.678 -6.987 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.862 -12.531 -8.000 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.912 -12.118 -6.659 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.447 -12.764 -8.267 1.00 0.57 H new ATOM 0 HG3 GLU A 80 8.260 -14.246 -7.351 1.00 0.57 H new ATOM 1176 N ASN A 81 7.455 -13.878 -4.627 1.00 0.29 N ATOM 1177 CA ASN A 81 8.632 -14.323 -3.901 1.00 0.35 C ATOM 1178 C ASN A 81 8.264 -14.869 -2.520 1.00 0.35 C ATOM 1179 O ASN A 81 9.122 -15.033 -1.652 1.00 0.49 O ATOM 1180 CB ASN A 81 9.616 -13.161 -3.798 1.00 0.40 C ATOM 1181 CG ASN A 81 11.052 -13.609 -3.576 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.776 -13.901 -4.528 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.482 -13.644 -2.326 1.00 1.13 N ATOM 0 H ASN A 81 7.151 -12.933 -4.393 1.00 0.29 H new ATOM 0 HA ASN A 81 9.101 -15.144 -4.444 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.564 -12.568 -4.711 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.315 -12.510 -2.977 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.443 -13.920 -2.125 1.00 1.13 H new ATOM 0 HD22 ASN A 81 10.853 -13.395 -1.563 1.00 1.13 H new ATOM 1190 N ARG A 82 6.974 -15.155 -2.334 1.00 0.32 N ATOM 1191 CA ARG A 82 6.462 -15.760 -1.101 1.00 0.37 C ATOM 1192 C ARG A 82 6.679 -14.845 0.101 1.00 0.32 C ATOM 1193 O ARG A 82 7.065 -15.296 1.184 1.00 0.38 O ATOM 1194 CB ARG A 82 7.121 -17.121 -0.852 1.00 0.47 C ATOM 1195 CG ARG A 82 6.945 -18.105 -1.997 1.00 1.04 C ATOM 1196 CD ARG A 82 5.484 -18.448 -2.225 1.00 1.99 C ATOM 1197 NE ARG A 82 5.312 -19.326 -3.379 1.00 2.83 N ATOM 1198 CZ ARG A 82 4.165 -19.915 -3.709 1.00 3.77 C ATOM 1199 NH1 ARG A 82 3.085 -19.753 -2.956 1.00 4.01 N ATOM 1200 NH2 ARG A 82 4.104 -20.676 -4.791 1.00 4.67 N ATOM 0 H ARG A 82 6.254 -14.974 -3.033 1.00 0.32 H new ATOM 0 HA ARG A 82 5.389 -15.905 -1.228 1.00 0.37 H new ATOM 0 HB2 ARG A 82 8.186 -16.972 -0.674 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.704 -17.556 0.056 1.00 0.47 H new ATOM 0 HG2 ARG A 82 7.365 -17.681 -2.909 1.00 1.04 H new ATOM 0 HG3 ARG A 82 7.503 -19.016 -1.782 1.00 1.04 H new ATOM 0 HD2 ARG A 82 5.080 -18.932 -1.336 1.00 1.99 H new ATOM 0 HD3 ARG A 82 4.914 -17.531 -2.376 1.00 1.99 H new ATOM 0 HE ARG A 82 6.124 -19.499 -3.971 1.00 2.83 H new ATOM 0 HH11 ARG A 82 3.130 -19.174 -2.118 1.00 4.01 H new ATOM 0 HH12 ARG A 82 2.210 -20.208 -3.215 1.00 4.01 H new ATOM 0 HH21 ARG A 82 4.934 -20.809 -5.368 1.00 4.67 H new ATOM 0 HH22 ARG A 82 3.227 -21.129 -5.047 1.00 4.67 H new ATOM 1214 N GLU A 83 6.425 -13.563 -0.099 1.00 0.27 N ATOM 1215 CA GLU A 83 6.580 -12.570 0.952 1.00 0.27 C ATOM 1216 C GLU A 83 5.332 -12.546 1.834 1.00 0.25 C ATOM 1217 O GLU A 83 4.304 -13.127 1.477 1.00 0.25 O ATOM 1218 CB GLU A 83 6.845 -11.193 0.327 1.00 0.28 C ATOM 1219 CG GLU A 83 7.279 -10.122 1.319 1.00 0.43 C ATOM 1220 CD GLU A 83 8.364 -10.595 2.264 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.525 -10.735 1.828 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.054 -10.833 3.449 1.00 1.60 O ATOM 0 H GLU A 83 6.107 -13.182 -0.990 1.00 0.27 H new ATOM 0 HA GLU A 83 7.432 -12.831 1.580 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.616 -11.297 -0.437 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.939 -10.857 -0.178 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.637 -9.251 0.771 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.414 -9.800 1.899 1.00 0.43 H new ATOM 1229 N ASP A 84 5.448 -11.893 2.985 1.00 0.26 N ATOM 1230 CA ASP A 84 4.368 -11.802 3.967 1.00 0.26 C ATOM 1231 C ASP A 84 3.056 -11.350 3.327 1.00 0.25 C ATOM 1232 O ASP A 84 2.904 -10.186 2.953 1.00 0.26 O ATOM 1233 CB ASP A 84 4.774 -10.826 5.075 1.00 0.29 C ATOM 1234 CG ASP A 84 3.815 -10.823 6.252 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.623 -11.887 6.879 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.265 -9.754 6.569 1.00 0.68 O ATOM 0 H ASP A 84 6.300 -11.408 3.267 1.00 0.26 H new ATOM 0 HA ASP A 84 4.203 -12.795 4.385 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.772 -11.084 5.429 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.833 -9.820 4.660 1.00 0.29 H new ATOM 1241 N TYR A 85 2.108 -12.277 3.204 1.00 0.26 N ATOM 1242 CA TYR A 85 0.809 -11.971 2.613 1.00 0.26 C ATOM 1243 C TYR A 85 0.000 -11.090 3.550 1.00 0.27 C ATOM 1244 O TYR A 85 -0.937 -10.409 3.137 1.00 0.26 O ATOM 1245 CB TYR A 85 0.029 -13.249 2.288 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.273 -14.111 3.491 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.221 -13.722 4.430 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.388 -15.310 3.686 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.496 -14.504 5.530 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.118 -16.102 4.783 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.824 -15.695 5.703 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.096 -16.479 6.800 1.00 0.44 O ATOM 0 H TYR A 85 2.216 -13.245 3.506 1.00 0.26 H new ATOM 0 HA TYR A 85 0.984 -11.436 1.680 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.909 -12.976 1.805 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.599 -13.836 1.568 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.751 -12.791 4.295 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.128 -15.632 2.968 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.233 -14.186 6.252 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.642 -17.036 4.920 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.538 -17.284 6.773 1.00 0.44 H new ATOM 1262 N ARG A 86 0.358 -11.131 4.826 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.254 -10.273 5.822 1.00 0.33 C ATOM 1264 C ARG A 86 0.058 -8.820 5.490 1.00 0.32 C ATOM 1265 O ARG A 86 -0.801 -7.944 5.589 1.00 0.32 O ATOM 1266 CB ARG A 86 0.259 -10.650 7.200 1.00 0.40 C ATOM 1267 CG ARG A 86 -0.076 -12.079 7.566 1.00 0.44 C ATOM 1268 CD ARG A 86 0.307 -12.384 8.989 1.00 0.55 C ATOM 1269 NE ARG A 86 1.756 -12.387 9.190 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.343 -12.604 10.366 1.00 1.98 C ATOM 1271 NH1 ARG A 86 1.614 -12.834 11.450 1.00 1.57 N ATOM 1272 NH2 ARG A 86 3.663 -12.596 10.459 1.00 3.04 N ATOM 0 H ARG A 86 1.075 -11.756 5.194 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.336 -10.401 5.819 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.340 -10.513 7.233 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.171 -9.977 7.942 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.144 -12.251 7.430 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.445 -12.760 6.893 1.00 0.44 H new ATOM 0 HD2 ARG A 86 -0.147 -11.646 9.650 1.00 0.55 H new ATOM 0 HD3 ARG A 86 -0.098 -13.356 9.271 1.00 0.55 H new ATOM 0 HE ARG A 86 2.353 -12.212 8.381 1.00 1.57 H new ATOM 0 HH11 ARG A 86 0.596 -12.846 11.387 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.071 -12.999 12.347 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.232 -12.424 9.630 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.112 -12.762 11.360 1.00 3.04 H new ATOM 1286 N GLN A 87 1.297 -8.602 5.073 1.00 0.33 N ATOM 1287 CA GLN A 87 1.758 -7.324 4.552 1.00 0.33 C ATOM 1288 C GLN A 87 1.037 -6.996 3.242 1.00 0.28 C ATOM 1289 O GLN A 87 0.662 -5.848 2.997 1.00 0.28 O ATOM 1290 CB GLN A 87 3.273 -7.411 4.339 1.00 0.39 C ATOM 1291 CG GLN A 87 3.925 -6.171 3.758 1.00 0.49 C ATOM 1292 CD GLN A 87 3.790 -4.950 4.649 1.00 0.57 C ATOM 1293 OE1 GLN A 87 3.718 -5.059 5.876 1.00 1.14 O ATOM 1294 NE2 GLN A 87 3.762 -3.774 4.039 1.00 1.46 N ATOM 0 H GLN A 87 2.021 -9.320 5.088 1.00 0.33 H new ATOM 0 HA GLN A 87 1.535 -6.524 5.258 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.744 -7.633 5.296 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.481 -8.253 3.678 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.982 -6.372 3.586 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.479 -5.955 2.787 1.00 0.49 H new ATOM 0 HE21 GLN A 87 3.824 -3.725 3.022 1.00 1.46 H new ATOM 0 HE22 GLN A 87 3.678 -2.917 4.586 1.00 1.46 H new ATOM 1303 N ILE A 88 0.841 -8.021 2.413 1.00 0.25 N ATOM 1304 CA ILE A 88 0.089 -7.887 1.164 1.00 0.22 C ATOM 1305 C ILE A 88 -1.326 -7.397 1.421 1.00 0.20 C ATOM 1306 O ILE A 88 -1.840 -6.550 0.694 1.00 0.20 O ATOM 1307 CB ILE A 88 0.052 -9.227 0.391 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.335 -9.375 -0.404 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.156 -9.323 -0.526 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.503 -10.694 -1.094 1.00 0.23 C ATOM 0 H ILE A 88 1.196 -8.962 2.586 1.00 0.25 H new ATOM 0 HA ILE A 88 0.605 -7.146 0.554 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.034 -10.038 1.114 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.375 -8.583 -1.152 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.180 -9.223 0.267 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.141 -10.280 -1.048 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.069 -9.246 0.065 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.126 -8.512 -1.253 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.449 -10.704 -1.635 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.500 -11.495 -0.354 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.682 -10.845 -1.795 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.949 -7.925 2.453 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.283 -7.501 2.823 1.00 0.21 C ATOM 1324 C ALA A 89 -3.286 -6.027 3.215 1.00 0.22 C ATOM 1325 O ALA A 89 -4.218 -5.289 2.897 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.808 -8.361 3.951 1.00 0.24 C ATOM 0 H ALA A 89 -1.553 -8.650 3.052 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.942 -7.622 1.963 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.812 -8.033 4.221 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.840 -9.402 3.630 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.151 -8.268 4.816 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.229 -5.590 3.886 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.104 -4.187 4.253 1.00 0.27 C ATOM 1334 C LYS A 90 -1.864 -3.349 3.000 1.00 0.24 C ATOM 1335 O LYS A 90 -2.260 -2.184 2.932 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.978 -3.979 5.269 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.078 -4.889 6.487 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.494 -4.960 7.067 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.863 -3.735 7.900 1.00 0.67 C ATOM 1340 NZ LYS A 90 -3.022 -2.497 7.094 1.00 1.26 N ATOM 0 H LYS A 90 -1.453 -6.181 4.185 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.033 -3.866 4.724 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.020 -4.149 4.777 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.986 -2.941 5.600 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.754 -5.892 6.211 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.393 -4.533 7.257 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.209 -5.066 6.251 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.582 -5.853 7.686 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -3.793 -3.934 8.433 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -2.092 -3.572 8.654 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -3.640 -1.831 7.599 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -2.091 -2.059 6.943 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -3.446 -2.734 6.174 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.217 -3.960 2.008 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.062 -3.342 0.697 1.00 0.22 C ATOM 1356 C ALA A 91 -2.426 -3.178 0.046 1.00 0.19 C ATOM 1357 O ALA A 91 -2.766 -2.098 -0.425 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.141 -4.171 -0.195 1.00 0.22 C ATOM 0 H ALA A 91 -0.792 -4.884 2.090 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.605 -2.361 0.826 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.043 -3.687 -1.167 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.841 -4.251 0.271 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.563 -5.167 -0.327 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.207 -4.257 0.055 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.569 -4.247 -0.470 1.00 0.16 C ATOM 1366 C TYR A 92 -5.393 -3.149 0.155 1.00 0.16 C ATOM 1367 O TYR A 92 -6.137 -2.451 -0.532 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.261 -5.579 -0.211 1.00 0.15 C ATOM 1369 CG TYR A 92 -5.004 -6.618 -1.258 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.563 -6.498 -2.516 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.210 -7.713 -0.991 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -5.340 -7.448 -3.488 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.974 -8.670 -1.953 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.544 -8.537 -3.202 1.00 0.21 C ATOM 1375 OH TYR A 92 -4.312 -9.484 -4.173 1.00 0.24 O ATOM 0 H TYR A 92 -2.913 -5.161 0.426 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.492 -4.073 -1.543 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.934 -5.964 0.755 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.335 -5.410 -0.139 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -6.185 -5.645 -2.741 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -3.766 -7.822 -0.012 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.785 -7.341 -4.466 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.346 -9.520 -1.731 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.731 -10.186 -3.813 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.265 -3.001 1.457 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.024 -2.001 2.166 1.00 0.21 C ATOM 1387 C ALA A 93 -5.626 -0.604 1.724 1.00 0.23 C ATOM 1388 O ALA A 93 -6.452 0.295 1.714 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.871 -2.166 3.663 1.00 0.25 C ATOM 0 H ALA A 93 -4.644 -3.560 2.041 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.077 -2.140 1.922 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.453 -1.400 4.175 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.229 -3.152 3.959 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.820 -2.065 3.935 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.365 -0.426 1.336 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.927 0.851 0.786 1.00 0.27 C ATOM 1397 C ARG A 94 -4.566 1.077 -0.571 1.00 0.24 C ATOM 1398 O ARG A 94 -5.012 2.177 -0.870 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.406 0.933 0.638 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.650 0.958 1.951 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.251 1.524 1.765 1.00 0.53 C ATOM 1402 NE ARG A 94 0.586 1.304 2.942 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.705 2.163 3.952 1.00 0.69 C ATOM 1404 NH1 ARG A 94 -0.020 3.276 3.983 1.00 1.50 N ATOM 1405 NH2 ARG A 94 1.537 1.899 4.948 1.00 0.88 N ATOM 0 H ARG A 94 -3.639 -1.140 1.392 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.239 1.623 1.490 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.064 0.080 0.052 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.156 1.830 0.072 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.196 1.560 2.677 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -1.586 -0.051 2.357 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.216 1.061 0.896 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.316 2.593 1.560 1.00 0.53 H new ATOM 0 HE ARG A 94 1.115 0.433 2.993 1.00 0.72 H new ATOM 0 HH11 ARG A 94 -0.675 3.479 3.228 1.00 1.50 H new ATOM 0 HH12 ARG A 94 0.079 3.928 4.762 1.00 1.50 H new ATOM 0 HH21 ARG A 94 2.085 1.039 4.940 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.630 2.556 5.723 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.608 0.028 -1.386 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.219 0.114 -2.705 1.00 0.21 C ATOM 1421 C ILE A 95 -6.684 0.468 -2.562 1.00 0.20 C ATOM 1422 O ILE A 95 -7.169 1.432 -3.154 1.00 0.24 O ATOM 1423 CB ILE A 95 -5.114 -1.208 -3.489 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.808 -1.913 -3.156 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.194 -0.934 -4.980 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.447 -3.035 -4.102 1.00 0.22 C ATOM 0 H ILE A 95 -4.227 -0.890 -1.156 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.679 0.883 -3.258 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.944 -1.855 -3.203 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.002 -1.179 -3.157 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.873 -2.313 -2.144 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.119 -1.874 -5.527 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.145 -0.454 -5.211 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -4.375 -0.277 -5.274 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.503 -3.483 -3.792 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -4.231 -3.792 -4.084 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.347 -2.640 -5.113 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.372 -0.310 -1.740 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.763 -0.063 -1.478 1.00 0.18 C ATOM 1440 C GLY A 96 -8.984 1.297 -0.859 1.00 0.20 C ATOM 1441 O GLY A 96 -9.960 1.968 -1.165 1.00 0.23 O ATOM 0 H GLY A 96 -6.982 -1.114 -1.248 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.327 -0.135 -2.408 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.150 -0.833 -0.811 1.00 0.18 H new ATOM 1445 N ASN A 97 -8.065 1.716 0.003 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.188 3.002 0.672 1.00 0.25 C ATOM 1447 C ASN A 97 -7.859 4.145 -0.279 1.00 0.25 C ATOM 1448 O ASN A 97 -8.352 5.253 -0.108 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.304 3.060 1.924 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.589 4.270 2.795 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -8.533 4.273 3.585 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -6.759 5.291 2.685 1.00 1.64 N ATOM 0 H ASN A 97 -7.231 1.185 0.253 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.225 3.115 0.989 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -7.454 2.154 2.510 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.257 3.075 1.622 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -6.889 6.119 3.266 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -5.988 5.252 2.019 1.00 1.64 H new ATOM 1459 N SER A 98 -7.042 3.870 -1.287 1.00 0.26 N ATOM 1460 CA SER A 98 -6.775 4.845 -2.337 1.00 0.29 C ATOM 1461 C SER A 98 -8.056 5.115 -3.104 1.00 0.29 C ATOM 1462 O SER A 98 -8.433 6.264 -3.325 1.00 0.32 O ATOM 1463 CB SER A 98 -5.689 4.335 -3.285 1.00 0.32 C ATOM 1464 OG SER A 98 -4.480 4.091 -2.585 1.00 0.94 O ATOM 0 H SER A 98 -6.553 2.982 -1.400 1.00 0.26 H new ATOM 0 HA SER A 98 -6.419 5.770 -1.883 1.00 0.29 H new ATOM 0 HB2 SER A 98 -6.025 3.418 -3.769 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.516 5.067 -4.074 1.00 0.32 H new ATOM 0 HG SER A 98 -4.557 3.255 -2.080 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.735 4.037 -3.470 1.00 0.28 N ATOM 1471 CA TYR A 99 -10.017 4.127 -4.143 1.00 0.29 C ATOM 1472 C TYR A 99 -11.063 4.747 -3.221 1.00 0.28 C ATOM 1473 O TYR A 99 -11.848 5.596 -3.633 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.473 2.738 -4.588 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.690 2.167 -5.745 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.773 2.740 -6.999 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.895 1.043 -5.589 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -9.090 2.222 -8.072 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.196 0.512 -6.654 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.298 1.105 -7.898 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.620 0.569 -8.971 1.00 0.43 O ATOM 0 H TYR A 99 -8.413 3.083 -3.309 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.904 4.764 -5.020 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.397 2.055 -3.742 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.526 2.786 -4.866 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.389 3.616 -7.139 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.821 0.575 -4.619 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -9.172 2.685 -9.044 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.574 -0.360 -6.516 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.610 1.215 -9.708 1.00 0.43 H new ATOM 1491 N PHE A 100 -11.057 4.307 -1.973 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.943 4.826 -0.933 1.00 0.27 C ATOM 1493 C PHE A 100 -11.786 6.339 -0.806 1.00 0.32 C ATOM 1494 O PHE A 100 -12.763 7.081 -0.720 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.578 4.137 0.384 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.489 4.399 1.550 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.739 3.806 1.618 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -12.113 5.274 2.553 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.591 4.074 2.672 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.963 5.550 3.605 1.00 0.43 C ATOM 1501 CZ PHE A 100 -14.141 4.819 3.744 1.00 0.37 C ATOM 0 H PHE A 100 -10.431 3.571 -1.646 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.983 4.622 -1.188 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.547 3.061 0.210 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.570 4.444 0.662 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -14.051 3.127 0.839 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -11.143 5.747 2.513 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.605 3.702 2.658 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.717 6.326 4.315 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.692 4.835 4.673 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.540 6.780 -0.811 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.192 8.169 -0.686 1.00 0.38 C ATOM 1513 C LYS A 101 -10.482 8.945 -1.975 1.00 0.41 C ATOM 1514 O LYS A 101 -10.663 10.163 -1.949 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.709 8.200 -0.338 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.116 9.559 -0.082 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.821 10.289 1.046 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.459 9.705 2.403 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.096 10.453 3.519 1.00 0.74 N ATOM 0 H LYS A 101 -9.732 6.164 -0.904 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.790 8.654 0.086 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.552 7.585 0.548 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.156 7.733 -1.153 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -7.059 9.452 0.161 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -8.175 10.156 -0.992 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -8.553 11.345 1.020 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -9.900 10.231 0.900 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -8.769 8.661 2.443 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -7.376 9.721 2.527 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -8.823 10.022 4.426 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -8.781 11.444 3.497 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -10.130 10.417 3.416 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.546 8.237 -3.099 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.711 8.887 -4.395 1.00 0.40 C ATOM 1535 C GLU A 102 -12.147 8.756 -4.915 1.00 0.39 C ATOM 1536 O GLU A 102 -12.462 9.217 -6.016 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.719 8.305 -5.394 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.252 7.144 -6.206 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.191 6.566 -7.118 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.005 7.086 -8.231 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.539 5.573 -6.721 1.00 0.45 O ATOM 0 H GLU A 102 -10.487 7.220 -3.139 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.510 9.951 -4.270 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.405 9.095 -6.076 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.830 7.977 -4.855 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.617 6.367 -5.534 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.102 7.476 -6.801 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.001 8.119 -4.110 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.424 7.934 -4.423 1.00 0.35 C ATOM 1550 C GLU A 103 -14.626 6.862 -5.511 1.00 0.35 C ATOM 1551 O GLU A 103 -15.538 6.947 -6.335 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.074 9.270 -4.821 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.595 9.257 -4.805 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.190 10.616 -5.101 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.305 11.440 -4.169 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -17.543 10.871 -6.271 1.00 1.47 O ATOM 0 H GLU A 103 -12.724 7.713 -3.216 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.922 7.576 -3.522 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.722 10.048 -4.143 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.735 9.541 -5.821 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -16.957 8.538 -5.540 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -16.942 8.917 -3.829 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.754 5.861 -5.509 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.922 4.663 -6.323 1.00 0.31 C ATOM 1565 C LYS A 104 -14.221 3.478 -5.415 1.00 0.28 C ATOM 1566 O LYS A 104 -13.493 2.486 -5.392 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.663 4.388 -7.134 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.494 5.303 -8.329 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.279 4.931 -9.157 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.052 5.918 -10.286 1.00 1.11 C ATOM 1571 NZ LYS A 104 -9.635 5.922 -10.726 1.00 1.89 N ATOM 0 H LYS A 104 -12.907 5.857 -4.941 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.751 4.816 -7.014 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.794 4.490 -6.484 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.683 3.354 -7.479 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.387 5.255 -8.952 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.399 6.334 -7.987 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.397 4.900 -8.517 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.410 3.930 -9.568 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.695 5.664 -11.128 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -11.336 6.918 -9.959 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -9.542 6.489 -11.593 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -9.040 6.333 -9.978 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -9.328 4.947 -10.916 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.296 3.605 -4.661 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.638 2.641 -3.616 1.00 0.25 C ATOM 1587 C TYR A 105 -15.846 1.225 -4.146 1.00 0.26 C ATOM 1588 O TYR A 105 -15.593 0.262 -3.425 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.872 3.103 -2.851 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.662 4.421 -2.152 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.792 4.537 -1.078 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.357 5.549 -2.560 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.620 5.744 -0.430 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -17.194 6.756 -1.918 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.227 6.846 -0.873 1.00 0.38 C ATOM 1596 OH TYR A 105 -16.167 8.056 -0.211 1.00 0.46 O ATOM 0 H TYR A 105 -15.959 4.375 -4.750 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.782 2.599 -2.943 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.711 3.192 -3.542 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -17.144 2.346 -2.116 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.241 3.670 -0.744 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -18.038 5.480 -3.396 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.988 5.796 0.444 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.785 7.615 -2.199 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.680 8.727 -0.709 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.291 1.084 -5.392 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.477 -0.247 -5.969 1.00 0.35 C ATOM 1608 C LYS A 106 -15.150 -0.992 -5.997 1.00 0.31 C ATOM 1609 O LYS A 106 -15.061 -2.159 -5.608 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.046 -0.172 -7.387 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.425 0.451 -7.471 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.987 0.342 -8.878 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.384 0.927 -8.970 1.00 0.94 C ATOM 1614 NZ LYS A 106 -20.385 2.406 -8.805 1.00 1.57 N ATOM 0 H LYS A 106 -16.526 1.858 -6.013 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.191 -0.782 -5.342 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.361 0.402 -8.011 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.088 -1.179 -7.803 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.095 -0.045 -6.769 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.373 1.499 -7.177 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.328 0.861 -9.574 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -19.010 -0.705 -9.181 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -20.821 0.670 -9.935 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -21.016 0.477 -8.204 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -21.343 2.774 -8.976 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -20.088 2.648 -7.838 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -19.724 2.832 -9.486 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.115 -0.298 -6.444 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.783 -0.873 -6.516 1.00 0.29 C ATOM 1630 C ASP A 107 -12.156 -0.924 -5.134 1.00 0.23 C ATOM 1631 O ASP A 107 -11.310 -1.776 -4.853 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.905 -0.068 -7.472 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.348 -0.208 -8.910 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -12.206 -1.311 -9.478 1.00 0.67 O ATOM 1635 OD2 ASP A 107 -12.839 0.784 -9.483 1.00 0.64 O ATOM 0 H ASP A 107 -14.174 0.669 -6.764 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.864 -1.891 -6.898 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.930 0.984 -7.187 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.871 -0.399 -7.378 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.591 -0.014 -4.272 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.163 0.001 -2.880 1.00 0.18 C ATOM 1642 C ALA A 108 -12.504 -1.324 -2.221 1.00 0.16 C ATOM 1643 O ALA A 108 -11.630 -2.027 -1.715 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.830 1.149 -2.129 1.00 0.18 C ATOM 0 H ALA A 108 -13.246 0.729 -4.516 1.00 0.22 H new ATOM 0 HA ALA A 108 -11.083 0.148 -2.847 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.499 1.145 -1.090 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.556 2.096 -2.594 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.913 1.027 -2.165 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.781 -1.670 -2.279 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.296 -2.883 -1.664 1.00 0.18 C ATOM 1652 C ILE A 109 -13.669 -4.134 -2.282 1.00 0.19 C ATOM 1653 O ILE A 109 -13.500 -5.152 -1.605 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.830 -2.927 -1.804 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.432 -1.767 -1.026 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.397 -4.240 -1.300 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.719 -1.237 -1.607 1.00 0.51 C ATOM 0 H ILE A 109 -14.492 -1.115 -2.756 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.029 -2.869 -0.607 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.085 -2.843 -2.860 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.614 -2.087 -0.000 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.705 -0.956 -0.983 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.481 -4.236 -1.414 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -15.975 -5.064 -1.876 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.143 -4.366 -0.247 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -18.082 -0.412 -0.994 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.541 -0.883 -2.623 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.465 -2.032 -1.625 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.312 -4.049 -3.560 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.675 -5.166 -4.251 1.00 0.23 C ATOM 1671 C HIS A 110 -11.398 -5.580 -3.529 1.00 0.20 C ATOM 1672 O HIS A 110 -11.291 -6.693 -3.021 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.335 -4.778 -5.695 1.00 0.27 C ATOM 1674 CG HIS A 110 -11.679 -5.881 -6.479 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.358 -6.978 -6.965 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.384 -6.056 -6.842 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -11.508 -7.780 -7.584 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.306 -7.241 -7.526 1.00 0.40 N ATOM 0 H HIS A 110 -13.452 -3.220 -4.137 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.373 -6.003 -4.257 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.249 -4.476 -6.205 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.675 -3.911 -5.683 1.00 0.27 H new ATOM 0 HD2 HIS A 110 -9.565 -5.385 -6.631 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -11.756 -8.718 -8.057 1.00 0.44 H new ATOM 0 HE2 HIS A 110 -9.457 -7.641 -7.925 1.00 0.40 H new ATOM 1687 N PHE A 111 -10.448 -4.659 -3.481 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.167 -4.878 -2.839 1.00 0.17 C ATOM 1689 C PHE A 111 -9.303 -4.935 -1.311 1.00 0.16 C ATOM 1690 O PHE A 111 -8.417 -5.444 -0.628 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.189 -3.791 -3.275 1.00 0.17 C ATOM 1692 CG PHE A 111 -7.927 -3.812 -4.759 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.126 -4.791 -5.322 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.484 -2.850 -5.593 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.886 -4.815 -6.684 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.247 -2.870 -6.953 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.436 -3.848 -7.498 1.00 0.32 C ATOM 0 H PHE A 111 -10.548 -3.731 -3.891 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.778 -5.847 -3.152 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.586 -2.816 -2.993 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.247 -3.919 -2.741 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.683 -5.546 -4.689 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.110 -2.077 -5.172 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.268 -5.591 -7.110 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.695 -2.122 -7.591 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.234 -3.854 -8.559 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.402 -4.409 -0.770 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.678 -4.558 0.660 1.00 0.17 C ATOM 1709 C TYR A 112 -10.945 -6.013 1.013 1.00 0.20 C ATOM 1710 O TYR A 112 -10.216 -6.610 1.795 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.887 -3.741 1.097 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.633 -2.276 1.348 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.380 -1.800 1.730 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.671 -1.368 1.230 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -10.180 -0.462 1.979 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.479 -0.033 1.484 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.232 0.416 1.857 1.00 0.25 C ATOM 1718 OH TYR A 112 -11.035 1.743 2.126 1.00 0.32 O ATOM 0 H TYR A 112 -11.106 -3.884 -1.290 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.791 -4.196 1.180 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.658 -3.831 0.332 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.290 -4.182 2.009 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.556 -2.490 1.832 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.649 -1.716 0.933 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -9.203 -0.103 2.268 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.301 0.661 1.392 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.890 2.218 2.071 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.993 -6.581 0.422 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.347 -7.981 0.656 1.00 0.28 C ATOM 1730 C ASN A 113 -11.201 -8.872 0.195 1.00 0.27 C ATOM 1731 O ASN A 113 -11.010 -9.987 0.676 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.632 -8.324 -0.103 1.00 0.34 C ATOM 1733 CG ASN A 113 -14.187 -9.691 0.249 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -14.752 -10.377 -0.602 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.068 -10.079 1.509 1.00 1.23 N ATOM 0 H ASN A 113 -12.614 -6.093 -0.224 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.519 -8.145 1.720 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.386 -7.567 0.111 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.435 -8.284 -1.174 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -14.452 -10.976 1.805 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -13.592 -9.481 2.184 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.447 -8.329 -0.741 1.00 0.25 N ATOM 1743 CA LYS A 114 -9.215 -8.911 -1.245 1.00 0.24 C ATOM 1744 C LYS A 114 -8.160 -8.987 -0.138 1.00 0.21 C ATOM 1745 O LYS A 114 -7.383 -9.937 -0.063 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.719 -7.988 -2.320 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.060 -8.596 -3.486 1.00 0.34 C ATOM 1748 CD LYS A 114 -9.027 -9.103 -4.491 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.289 -9.918 -5.505 1.00 0.48 C ATOM 1750 NZ LYS A 114 -8.050 -11.310 -5.039 1.00 1.25 N ATOM 0 H LYS A 114 -10.681 -7.442 -1.187 1.00 0.25 H new ATOM 0 HA LYS A 114 -9.394 -9.921 -1.615 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -9.566 -7.404 -2.679 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -8.019 -7.287 -1.865 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -7.408 -7.859 -3.955 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -7.425 -9.417 -3.152 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -9.793 -9.708 -4.006 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -9.538 -8.271 -4.976 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -8.858 -9.940 -6.435 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -7.334 -9.442 -5.727 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -7.628 -11.866 -5.810 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -7.402 -11.297 -4.226 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -8.953 -11.741 -4.755 1.00 1.25 H new ATOM 1764 N SER A 115 -8.119 -7.951 0.694 1.00 0.20 N ATOM 1765 CA SER A 115 -7.238 -7.924 1.851 1.00 0.21 C ATOM 1766 C SER A 115 -7.719 -8.940 2.870 1.00 0.25 C ATOM 1767 O SER A 115 -6.925 -9.691 3.430 1.00 0.28 O ATOM 1768 CB SER A 115 -7.205 -6.527 2.479 1.00 0.23 C ATOM 1769 OG SER A 115 -6.396 -6.502 3.636 1.00 1.04 O ATOM 0 H SER A 115 -8.692 -7.114 0.585 1.00 0.20 H new ATOM 0 HA SER A 115 -6.227 -8.175 1.530 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.826 -5.808 1.752 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.218 -6.217 2.735 1.00 0.23 H new ATOM 0 HG SER A 115 -5.744 -5.774 3.564 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.034 -8.972 3.087 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.648 -9.996 3.927 1.00 0.31 C ATOM 1777 C LEU A 116 -9.313 -11.381 3.376 1.00 0.33 C ATOM 1778 O LEU A 116 -9.256 -12.365 4.113 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.180 -9.832 3.994 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.734 -8.728 4.917 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.047 -8.745 6.264 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.623 -7.350 4.288 1.00 0.35 C ATOM 0 H LEU A 116 -9.693 -8.300 2.692 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.249 -9.884 4.935 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.543 -9.641 2.984 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.607 -10.783 4.312 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.793 -8.943 5.063 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.459 -7.955 6.893 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.208 -9.711 6.743 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -9.978 -8.581 6.129 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.025 -6.604 4.973 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.576 -7.127 4.082 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.188 -7.329 3.356 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.091 -11.431 2.066 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.778 -12.664 1.362 1.00 0.33 C ATOM 1796 C ALA A 117 -7.356 -13.141 1.672 1.00 0.33 C ATOM 1797 O ALA A 117 -7.100 -14.345 1.735 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.972 -12.456 -0.139 1.00 0.32 C ATOM 0 H ALA A 117 -9.124 -10.610 1.462 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.458 -13.444 1.705 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.738 -13.380 -0.668 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -10.007 -12.177 -0.337 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -8.310 -11.662 -0.485 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.432 -12.204 1.871 1.00 0.29 N ATOM 1805 CA GLU A 118 -5.049 -12.561 2.181 1.00 0.30 C ATOM 1806 C GLU A 118 -4.818 -12.613 3.687 1.00 0.32 C ATOM 1807 O GLU A 118 -4.293 -13.595 4.213 1.00 0.36 O ATOM 1808 CB GLU A 118 -4.066 -11.572 1.550 1.00 0.27 C ATOM 1809 CG GLU A 118 -4.080 -11.566 0.031 1.00 0.30 C ATOM 1810 CD GLU A 118 -4.045 -12.959 -0.564 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -3.119 -13.729 -0.232 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.948 -13.297 -1.354 1.00 0.53 O ATOM 0 H GLU A 118 -6.612 -11.201 1.824 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.873 -13.551 1.761 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.296 -10.569 1.909 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -3.059 -11.809 1.892 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.975 -11.050 -0.317 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.223 -10.999 -0.333 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.224 -11.558 4.373 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.056 -11.453 5.813 1.00 0.36 C ATOM 1821 C HIS A 119 -6.238 -10.700 6.415 1.00 0.37 C ATOM 1822 O HIS A 119 -6.290 -9.469 6.396 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.707 -10.781 6.143 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.521 -10.347 7.576 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.534 -9.468 7.979 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.170 -10.705 8.701 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.589 -9.319 9.291 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.574 -10.061 9.752 1.00 0.50 N ATOM 0 H HIS A 119 -5.679 -10.750 3.948 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.037 -12.448 6.257 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.905 -11.474 5.886 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.591 -9.908 5.501 1.00 0.35 H new ATOM 0 HD2 HIS A 119 -5.011 -11.380 8.763 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -1.937 -8.695 9.884 1.00 0.48 H new ATOM 0 HE2 HIS A 119 -3.848 -10.143 10.731 1.00 0.50 H new ATOM 1837 N ARG A 120 -7.178 -11.471 6.942 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.398 -10.941 7.535 1.00 0.43 C ATOM 1839 C ARG A 120 -8.080 -9.955 8.659 1.00 0.46 C ATOM 1840 O ARG A 120 -7.593 -10.340 9.726 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.241 -12.105 8.059 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.630 -11.715 8.529 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.384 -12.921 9.057 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.495 -13.981 8.052 1.00 1.38 N ATOM 1845 CZ ARG A 120 -11.506 -15.281 8.337 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -11.385 -15.692 9.594 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -11.625 -16.172 7.360 1.00 2.87 N ATOM 0 H ARG A 120 -7.116 -12.489 6.971 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.959 -10.397 6.775 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.334 -12.853 7.271 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.711 -12.578 8.886 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.554 -10.958 9.310 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.185 -11.267 7.704 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -10.875 -13.309 9.939 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -12.381 -12.615 9.373 1.00 0.62 H new ATOM 0 HE ARG A 120 -11.568 -13.706 7.073 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -11.283 -15.010 10.346 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -11.394 -16.689 9.808 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -11.708 -15.860 6.392 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -11.634 -17.169 7.577 1.00 2.87 H new ATOM 1861 N THR A 121 -8.340 -8.681 8.403 1.00 0.45 N ATOM 1862 CA THR A 121 -8.054 -7.631 9.365 1.00 0.50 C ATOM 1863 C THR A 121 -9.259 -6.721 9.573 1.00 0.49 C ATOM 1864 O THR A 121 -9.916 -6.284 8.624 1.00 0.47 O ATOM 1865 CB THR A 121 -6.843 -6.793 8.928 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.885 -6.563 7.515 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.539 -7.473 9.299 1.00 0.62 C ATOM 0 H THR A 121 -8.751 -8.350 7.530 1.00 0.45 H new ATOM 0 HA THR A 121 -7.822 -8.121 10.311 1.00 0.50 H new ATOM 0 HB THR A 121 -6.891 -5.838 9.452 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.633 -7.384 7.042 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.701 -6.855 8.976 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.494 -7.609 10.380 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.483 -8.445 8.808 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.548 -6.458 10.858 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.690 -5.659 11.328 1.00 0.56 C ATOM 1877 C PRO A 122 -10.857 -4.313 10.626 1.00 0.51 C ATOM 1878 O PRO A 122 -11.976 -3.918 10.315 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.372 -5.428 12.814 1.00 0.65 C ATOM 1880 CG PRO A 122 -8.953 -5.851 12.968 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.773 -6.954 11.998 1.00 0.69 C ATOM 0 HA PRO A 122 -11.625 -6.182 11.127 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.505 -4.382 13.089 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.031 -6.013 13.455 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.271 -5.027 12.759 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -8.749 -6.184 13.986 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -7.725 -7.113 11.745 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -9.157 -7.901 12.376 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.754 -3.608 10.391 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.816 -2.271 9.795 1.00 0.48 C ATOM 1891 C ASP A 123 -10.292 -2.326 8.354 1.00 0.40 C ATOM 1892 O ASP A 123 -11.117 -1.513 7.942 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.461 -1.572 9.881 1.00 0.55 C ATOM 1894 CG ASP A 123 -8.411 -0.259 9.112 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -9.008 0.742 9.577 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -7.746 -0.210 8.054 1.00 2.06 O ATOM 0 H ASP A 123 -8.811 -3.935 10.601 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.542 -1.693 10.367 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -8.224 -1.381 10.928 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.690 -2.240 9.496 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.802 -3.292 7.586 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.242 -3.424 6.205 1.00 0.29 C ATOM 1903 C VAL A 124 -11.670 -3.937 6.173 1.00 0.28 C ATOM 1904 O VAL A 124 -12.453 -3.565 5.308 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.375 -4.378 5.372 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.662 -4.179 3.898 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.896 -4.198 5.654 1.00 0.31 C ATOM 0 H VAL A 124 -9.114 -3.982 7.889 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.158 -2.430 5.765 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.634 -5.398 5.658 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -9.044 -4.859 3.312 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.714 -4.385 3.701 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.435 -3.150 3.619 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.322 -4.894 5.042 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.602 -3.176 5.415 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.700 -4.395 6.708 1.00 0.31 H new ATOM 1917 N LEU A 125 -11.995 -4.800 7.124 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.353 -5.298 7.273 1.00 0.38 C ATOM 1919 C LEU A 125 -14.291 -4.125 7.540 1.00 0.38 C ATOM 1920 O LEU A 125 -15.348 -3.997 6.915 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.399 -6.322 8.414 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.706 -7.106 8.560 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.438 -8.460 9.197 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.706 -6.333 9.404 1.00 0.54 C ATOM 0 H LEU A 125 -11.334 -5.171 7.806 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.677 -5.795 6.359 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.586 -7.033 8.270 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.204 -5.801 9.351 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.127 -7.253 7.565 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.375 -9.008 9.295 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.750 -9.027 8.570 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -13.996 -8.317 10.183 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.627 -6.908 9.495 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.288 -6.159 10.395 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -15.921 -5.376 8.928 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.870 -3.268 8.463 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.569 -2.029 8.770 1.00 0.42 C ATOM 1938 C LYS A 126 -14.710 -1.168 7.519 1.00 0.39 C ATOM 1939 O LYS A 126 -15.803 -0.706 7.186 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.802 -1.264 9.856 1.00 0.48 C ATOM 1941 CG LYS A 126 -14.267 0.173 10.045 1.00 0.58 C ATOM 1942 CD LYS A 126 -13.514 0.867 11.171 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.876 0.293 12.533 1.00 1.37 C ATOM 1944 NZ LYS A 126 -15.325 0.446 12.836 1.00 2.04 N ATOM 0 H LYS A 126 -13.029 -3.415 9.022 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.568 -2.268 9.134 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.904 -1.796 10.802 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.741 -1.262 9.605 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -14.124 0.726 9.117 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -15.335 0.184 10.261 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.441 0.765 11.007 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -13.739 1.933 11.155 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -13.609 -0.763 12.564 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -13.290 0.793 13.304 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -15.482 0.316 13.856 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -15.640 1.397 12.556 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -15.867 -0.268 12.308 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.592 -0.973 6.832 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.546 -0.163 5.620 1.00 0.31 C ATOM 1960 C LYS A 127 -14.425 -0.732 4.524 1.00 0.27 C ATOM 1961 O LYS A 127 -15.085 0.008 3.797 1.00 0.27 O ATOM 1962 CB LYS A 127 -12.114 -0.070 5.108 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.433 1.240 5.460 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.321 1.439 6.960 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.795 2.822 7.294 1.00 0.82 C ATOM 1966 NZ LYS A 127 -10.396 2.928 8.723 1.00 1.48 N ATOM 0 H LYS A 127 -12.692 -1.371 7.098 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.920 0.827 5.880 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.534 -0.895 5.521 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -12.114 -0.191 4.025 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.438 1.261 5.016 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.993 2.068 5.026 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.298 1.298 7.422 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.657 0.684 7.381 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -9.938 3.049 6.659 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.561 3.566 7.074 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -9.683 3.677 8.830 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -11.230 3.159 9.300 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.996 2.022 9.040 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.423 -2.045 4.405 1.00 0.27 N ATOM 1981 CA CYS A 128 -15.154 -2.710 3.350 1.00 0.26 C ATOM 1982 C CYS A 128 -16.652 -2.496 3.534 1.00 0.29 C ATOM 1983 O CYS A 128 -17.361 -2.170 2.580 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.807 -4.204 3.328 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.531 -5.124 1.953 1.00 0.91 S ATOM 0 H CYS A 128 -13.920 -2.674 5.031 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.866 -2.281 2.390 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.723 -4.311 3.289 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.138 -4.654 4.264 1.00 0.26 H new ATOM 0 HG CYS A 128 -15.173 -6.372 2.029 1.00 0.91 H new ATOM 1991 N GLN A 129 -17.122 -2.646 4.772 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.517 -2.366 5.091 1.00 0.36 C ATOM 1993 C GLN A 129 -18.802 -0.883 4.900 1.00 0.32 C ATOM 1994 O GLN A 129 -19.881 -0.492 4.458 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.849 -2.751 6.531 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.721 -4.233 6.820 1.00 0.50 C ATOM 1997 CD GLN A 129 -19.074 -4.565 8.254 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.221 -4.553 9.138 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -20.340 -4.858 8.496 1.00 1.10 N ATOM 0 H GLN A 129 -16.560 -2.958 5.564 1.00 0.32 H new ATOM 0 HA GLN A 129 -19.136 -2.961 4.419 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.190 -2.202 7.204 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.868 -2.435 6.755 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.373 -4.791 6.148 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.700 -4.555 6.614 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -21.018 -4.857 7.734 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -20.639 -5.085 9.445 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.808 -0.071 5.236 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.930 1.375 5.174 1.00 0.30 C ATOM 2010 C GLN A 130 -18.147 1.843 3.740 1.00 0.26 C ATOM 2011 O GLN A 130 -19.045 2.627 3.468 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.674 2.035 5.752 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.836 3.517 6.049 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.920 3.790 7.073 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -18.198 2.959 7.940 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -18.531 4.958 6.988 1.00 1.65 N ATOM 0 H GLN A 130 -16.897 -0.398 5.558 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.796 1.668 5.767 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.395 1.519 6.671 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.851 1.903 5.050 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.889 3.917 6.412 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -17.072 4.045 5.125 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -18.271 5.618 6.255 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -19.263 5.200 7.656 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.338 1.338 2.825 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.377 1.795 1.443 1.00 0.21 C ATOM 2027 C ALA A 131 -18.704 1.467 0.762 1.00 0.23 C ATOM 2028 O ALA A 131 -19.247 2.298 0.034 1.00 0.29 O ATOM 2029 CB ALA A 131 -16.216 1.213 0.664 1.00 0.20 C ATOM 0 H ALA A 131 -16.646 0.612 3.012 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.287 2.881 1.456 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -16.258 1.563 -0.367 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -15.277 1.532 1.118 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -16.276 0.125 0.680 1.00 0.20 H new ATOM 2035 N GLU A 132 -19.235 0.272 1.001 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.487 -0.126 0.362 1.00 0.35 C ATOM 2037 C GLU A 132 -21.673 0.645 0.936 1.00 0.35 C ATOM 2038 O GLU A 132 -22.607 0.990 0.205 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.723 -1.638 0.462 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.446 -2.229 1.826 1.00 1.02 C ATOM 2041 CD GLU A 132 -20.995 -3.630 1.968 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -20.486 -4.547 1.290 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -21.944 -3.824 2.756 1.00 1.41 O ATOM 0 H GLU A 132 -18.827 -0.428 1.621 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.398 0.125 -0.695 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.758 -1.850 0.192 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.093 -2.140 -0.272 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.370 -2.244 2.001 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.885 -1.590 2.592 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.639 0.934 2.234 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.695 1.731 2.843 1.00 0.36 C ATOM 2052 C LYS A 133 -22.552 3.188 2.420 1.00 0.37 C ATOM 2053 O LYS A 133 -23.546 3.886 2.220 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.692 1.599 4.373 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.449 2.148 5.057 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.452 1.876 6.554 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.660 2.505 7.232 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.649 2.297 8.703 1.00 1.90 N ATOM 0 H LYS A 133 -20.904 0.633 2.874 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.655 1.353 2.491 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.566 2.115 4.770 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.798 0.546 4.633 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.562 1.700 4.609 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.385 3.222 4.884 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.454 0.800 6.729 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.538 2.270 6.998 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.679 3.574 7.018 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -23.572 2.080 6.813 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.490 2.742 9.123 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -22.657 1.278 8.910 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -21.792 2.725 9.108 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.308 3.633 2.265 1.00 0.32 N ATOM 2073 CA ILE A 134 -21.020 4.970 1.764 1.00 0.34 C ATOM 2074 C ILE A 134 -21.569 5.141 0.355 1.00 0.39 C ATOM 2075 O ILE A 134 -22.225 6.136 0.050 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.502 5.267 1.757 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.997 5.563 3.162 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -19.181 6.428 0.852 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.519 5.884 3.218 1.00 0.33 C ATOM 0 H ILE A 134 -20.478 3.081 2.482 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.506 5.675 2.438 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.999 4.376 1.380 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.559 6.402 3.572 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.198 4.703 3.800 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -18.107 6.615 0.866 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.495 6.194 -0.165 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.708 7.317 1.199 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.229 6.084 4.249 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.948 5.037 2.838 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.314 6.763 2.606 1.00 0.33 H new ATOM 2091 N LEU A 135 -21.305 4.157 -0.497 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.774 4.192 -1.872 1.00 0.48 C ATOM 2093 C LEU A 135 -23.290 4.315 -1.932 1.00 0.58 C ATOM 2094 O LEU A 135 -23.831 4.976 -2.816 1.00 0.71 O ATOM 2095 CB LEU A 135 -21.320 2.947 -2.629 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.289 3.203 -3.721 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.868 1.898 -4.374 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.832 4.168 -4.760 1.00 1.37 C ATOM 0 H LEU A 135 -20.767 3.324 -0.256 1.00 0.38 H new ATOM 0 HA LEU A 135 -21.339 5.071 -2.348 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -20.903 2.237 -1.915 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -22.193 2.473 -3.077 1.00 0.51 H new ATOM 0 HG LEU A 135 -19.412 3.657 -3.260 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -19.131 2.101 -5.151 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -19.431 1.240 -3.623 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -20.739 1.415 -4.817 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.079 4.336 -5.530 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -21.728 3.746 -5.215 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -21.080 5.116 -4.282 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.972 3.697 -0.978 1.00 0.58 N ATOM 2111 CA LYS A 136 -25.421 3.771 -0.934 1.00 0.72 C ATOM 2112 C LYS A 136 -25.875 5.160 -0.494 1.00 0.77 C ATOM 2113 O LYS A 136 -26.947 5.624 -0.874 1.00 0.91 O ATOM 2114 CB LYS A 136 -26.003 2.701 -0.012 1.00 0.79 C ATOM 2115 CG LYS A 136 -27.525 2.681 -0.006 1.00 1.26 C ATOM 2116 CD LYS A 136 -28.080 2.408 -1.399 1.00 1.73 C ATOM 2117 CE LYS A 136 -29.548 2.783 -1.515 1.00 2.54 C ATOM 2118 NZ LYS A 136 -29.785 4.233 -1.266 1.00 3.36 N ATOM 0 H LYS A 136 -23.549 3.145 -0.232 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.795 3.585 -1.941 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.634 1.723 -0.322 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -25.644 2.870 1.003 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -27.878 1.916 0.685 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -27.902 3.637 0.357 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -27.504 2.970 -2.134 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -27.957 1.351 -1.637 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -29.909 2.524 -2.511 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -30.128 2.195 -0.803 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -30.778 4.463 -1.472 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -29.578 4.453 -0.271 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -29.165 4.797 -1.881 1.00 3.36 H new ATOM 2132 N GLU A 137 -25.048 5.826 0.300 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.330 7.192 0.725 1.00 0.82 C ATOM 2134 C GLU A 137 -25.114 8.157 -0.434 1.00 0.87 C ATOM 2135 O GLU A 137 -25.653 9.265 -0.452 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.452 7.578 1.899 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.744 6.754 3.131 1.00 1.02 C ATOM 2138 CD GLU A 137 -26.196 6.824 3.557 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -26.571 7.794 4.252 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -26.967 5.904 3.210 1.00 2.28 O ATOM 0 H GLU A 137 -24.175 5.443 0.664 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.372 7.248 1.041 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.405 7.455 1.622 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.599 8.634 2.128 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -24.477 5.715 2.939 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.113 7.099 3.950 1.00 1.02 H new ATOM 2147 N GLN A 138 -24.306 7.723 -1.393 1.00 0.80 N ATOM 2148 CA GLN A 138 -24.038 8.502 -2.591 1.00 0.89 C ATOM 2149 C GLN A 138 -25.204 8.397 -3.565 1.00 1.04 C ATOM 2150 O GLN A 138 -25.412 9.276 -4.402 1.00 1.19 O ATOM 2151 CB GLN A 138 -22.751 8.018 -3.251 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.530 8.242 -2.384 1.00 0.80 C ATOM 2153 CD GLN A 138 -21.152 9.704 -2.284 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -21.635 10.424 -1.412 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -20.280 10.148 -3.174 1.00 1.60 N ATOM 0 H GLN A 138 -23.821 6.826 -1.361 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.918 9.548 -2.309 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -22.841 6.956 -3.477 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -22.617 8.536 -4.201 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.721 7.850 -1.385 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -20.690 7.680 -2.792 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -19.905 9.515 -3.880 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -19.983 11.124 -3.154 1.00 1.60 H new ATOM 2164 N GLU A 139 -25.964 7.316 -3.444 1.00 1.14 N ATOM 2165 CA GLU A 139 -27.146 7.110 -4.266 1.00 1.35 C ATOM 2166 C GLU A 139 -28.413 7.197 -3.410 1.00 1.86 C ATOM 2167 O GLU A 139 -28.999 6.148 -3.065 1.00 2.30 O ATOM 2168 CB GLU A 139 -27.062 5.763 -4.991 1.00 1.47 C ATOM 2169 CG GLU A 139 -26.710 4.601 -4.079 1.00 1.46 C ATOM 2170 CD GLU A 139 -26.661 3.274 -4.799 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -25.586 2.914 -5.324 1.00 1.94 O ATOM 2172 OE2 GLU A 139 -27.702 2.588 -4.856 1.00 2.99 O ATOM 2173 OXT GLU A 139 -28.809 8.328 -3.066 1.00 2.51 O ATOM 0 H GLU A 139 -25.780 6.565 -2.779 1.00 1.14 H new ATOM 0 HA GLU A 139 -27.193 7.897 -5.019 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -28.018 5.559 -5.472 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -26.315 5.832 -5.782 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -25.742 4.792 -3.615 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -27.443 4.544 -3.274 1.00 1.46 H new TER 2180 GLU A 139