USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1009 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 106 ASN : amide:sc= -0.591 K(o=-0.82,f=-2.9!) USER MOD Set 1.2: A 110 THR OG1 : rot -89:sc= -0.224 USER MOD Set 2.1: A 42 MET CE :methyl -126:sc= -0.506 (180deg=-1.48) USER MOD Set 2.2: A 102 MET CE :methyl -175:sc= -0.766 (180deg=-1.05) USER MOD Set 2.3: A 140 MET CE :methyl -156:sc= -0.233 (180deg=0) USER MOD Set 3.1: A 38 GLN : amide:sc= 0.271 K(o=1.6,f=-2.3) USER MOD Set 3.2: A 99 SER OG : rot -81:sc= 1.34 USER MOD Set 4.1: A 95 TYR OH : rot 32:sc= 1.87 USER MOD Set 4.2: A 101 CYS SG : rot -14:sc= -2.22! USER MOD Set 5.1: A 73 TYR OH : rot -131:sc= 1.19 USER MOD Set 5.2: A 111 ASN : amide:sc= 0.136 K(o=1.3,f=-2.8!) USER MOD Set 6.1: A 49 THR OG1 : rot 103:sc= 2.1 USER MOD Set 6.2: A 136 LYS NZ :NH3+ 149:sc= 1.24 (180deg=0) USER MOD Set 7.1: A 40 GLN : amide:sc= -0.496 K(o=-3.4,f=-2.4) USER MOD Set 7.2: A 43 GLN : amide:sc= -2.89! C(o=-3.4!,f=-3.5!) USER MOD Set 8.1: A 31 LYS NZ :NH3+ 154:sc= -0.134 (180deg=-0.658) USER MOD Set 8.2: A 94 TYR OH : rot 180:sc= -0.595 USER MOD Single : A 27 SER OG : rot 104:sc= 0.0154 USER MOD Single : A 28 ASN : amide:sc= 0.12 K(o=0.12,f=-7.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -113:sc= 1.22 (180deg=-0.398) USER MOD Single : A 36 THR OG1 : rot 125:sc= 1.68 USER MOD Single : A 37 ASN : amide:sc= -0.0313 K(o=-0.031,f=-1.2!) USER MOD Single : A 41 TYR OH : rot 76:sc= 0.664 USER MOD Single : A 44 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -2.75 K(o=-2.7,f=-4.5!) USER MOD Single : A 54 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.6) USER MOD Single : A 60 TYR OH : rot -3:sc= 1.05 USER MOD Single : A 61 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.012) USER MOD Single : A 74 HIS : no HD1:sc= -1.77 X(o=-1.8,f=-2.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0031 X(o=-0.0031,f=-0.25) USER MOD Single : A 81 MET CE :methyl -179:sc= 0 (180deg=-0.00942) USER MOD Single : A 83 MET CE :methyl -140:sc= -0.382 (180deg=-3.04!) USER MOD Single : A 85 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ -130:sc= 1.04 (180deg=-0.414!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.826 X(o=-0.83,f=-1.1) USER MOD Single : A 93 ASN : amide:sc= -0.418 K(o=-0.42,f=-2.7!) USER MOD Single : A 97 SER OG : rot -153:sc= 0.307 USER MOD Single : A 103 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.14) USER MOD Single : A 107 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 108 MET CE :methyl -153:sc= -0.654 (180deg=-1.5!) USER MOD Single : A 112 CYS SG : rot 160:sc= -0.0795 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 69:sc= 1.1 USER MOD Single : A 116 ASN : amide:sc= 0.0715 X(o=0.072,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -164:sc= -0.109 (180deg=-0.487) USER MOD Single : A 127 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.065) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc=-0.000951 X(o=-0.00095,f=0) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 26 5.379 -12.395 1.839 1.00 0.93 N ATOM 69 CA VAL A 26 5.713 -11.344 2.786 1.00 0.84 C ATOM 70 C VAL A 26 7.224 -11.276 2.994 1.00 0.83 C ATOM 71 O VAL A 26 7.752 -10.299 3.530 1.00 0.85 O ATOM 72 CB VAL A 26 4.987 -11.561 4.135 1.00 0.83 C ATOM 73 CG1 VAL A 26 5.660 -12.646 4.966 1.00 0.93 C ATOM 74 CG2 VAL A 26 4.900 -10.255 4.911 1.00 0.83 C ATOM 0 HA VAL A 26 5.376 -10.394 2.372 1.00 0.84 H new ATOM 0 HB VAL A 26 3.974 -11.901 3.917 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.122 -12.770 5.906 1.00 0.93 H new ATOM 0 HG12 VAL A 26 5.649 -13.586 4.415 1.00 0.93 H new ATOM 0 HG13 VAL A 26 6.691 -12.359 5.173 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.386 -10.427 5.857 1.00 0.83 H new ATOM 0 HG22 VAL A 26 5.905 -9.880 5.107 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.347 -9.520 4.326 1.00 0.83 H new ATOM 84 N SER A 27 7.906 -12.323 2.549 1.00 0.91 N ATOM 85 CA SER A 27 9.353 -12.410 2.623 1.00 1.00 C ATOM 86 C SER A 27 9.820 -13.714 1.995 1.00 1.07 C ATOM 87 O SER A 27 9.070 -14.692 1.940 1.00 1.19 O ATOM 88 CB SER A 27 9.846 -12.325 4.071 1.00 1.15 C ATOM 89 OG SER A 27 10.855 -11.336 4.212 1.00 1.61 O ATOM 0 H SER A 27 7.465 -13.139 2.125 1.00 0.91 H new ATOM 0 HA SER A 27 9.772 -11.566 2.075 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.010 -12.092 4.730 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.236 -13.294 4.383 1.00 1.15 H new ATOM 0 HG SER A 27 10.475 -10.540 4.639 1.00 1.61 H new ATOM 95 N ASN A 28 11.046 -13.712 1.511 1.00 1.07 N ATOM 96 CA ASN A 28 11.632 -14.876 0.869 1.00 1.18 C ATOM 97 C ASN A 28 13.153 -14.741 0.858 1.00 1.23 C ATOM 98 O ASN A 28 13.683 -13.752 0.364 1.00 1.12 O ATOM 99 CB ASN A 28 11.081 -15.009 -0.560 1.00 1.19 C ATOM 100 CG ASN A 28 11.498 -16.292 -1.267 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.618 -16.780 -1.118 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.596 -16.844 -2.056 1.00 1.48 N ATOM 0 H ASN A 28 11.666 -12.903 1.551 1.00 1.07 H new ATOM 0 HA ASN A 28 11.369 -15.777 1.424 1.00 1.18 H new ATOM 0 HB2 ASN A 28 9.993 -14.963 -0.525 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.417 -14.156 -1.149 1.00 1.19 H new ATOM 0 HD21 ASN A 28 10.818 -17.700 -2.564 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.676 -16.415 -2.158 1.00 1.48 H new ATOM 109 N PRO A 29 13.871 -15.732 1.408 1.00 1.46 N ATOM 110 CA PRO A 29 15.348 -15.711 1.506 1.00 1.60 C ATOM 111 C PRO A 29 16.038 -15.743 0.141 1.00 1.54 C ATOM 112 O PRO A 29 17.105 -15.156 -0.044 1.00 1.54 O ATOM 113 CB PRO A 29 15.646 -17.006 2.266 1.00 1.87 C ATOM 114 CG PRO A 29 14.495 -17.878 1.924 1.00 1.86 C ATOM 115 CD PRO A 29 13.313 -16.972 1.979 1.00 1.65 C ATOM 0 HA PRO A 29 15.712 -14.801 1.983 1.00 1.60 H new ATOM 0 HB2 PRO A 29 16.592 -17.448 1.952 1.00 1.87 H new ATOM 0 HB3 PRO A 29 15.715 -16.835 3.340 1.00 1.87 H new ATOM 0 HG2 PRO A 29 14.611 -18.319 0.934 1.00 1.86 H new ATOM 0 HG3 PRO A 29 14.397 -18.702 2.631 1.00 1.86 H new ATOM 0 HD2 PRO A 29 12.476 -17.353 1.394 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.952 -16.829 2.997 1.00 1.65 H new ATOM 123 N SER A 30 15.425 -16.444 -0.806 1.00 1.57 N ATOM 124 CA SER A 30 15.971 -16.571 -2.147 1.00 1.63 C ATOM 125 C SER A 30 15.775 -15.268 -2.905 1.00 1.47 C ATOM 126 O SER A 30 16.461 -14.984 -3.887 1.00 1.58 O ATOM 127 CB SER A 30 15.278 -17.723 -2.876 1.00 1.81 C ATOM 128 OG SER A 30 15.911 -18.015 -4.109 1.00 2.18 O ATOM 0 H SER A 30 14.543 -16.936 -0.665 1.00 1.57 H new ATOM 0 HA SER A 30 17.038 -16.784 -2.088 1.00 1.63 H new ATOM 0 HB2 SER A 30 15.284 -18.611 -2.244 1.00 1.81 H new ATOM 0 HB3 SER A 30 14.234 -17.466 -3.054 1.00 1.81 H new ATOM 0 HG SER A 30 15.445 -18.756 -4.549 1.00 2.18 H new ATOM 134 N LYS A 31 14.831 -14.481 -2.426 1.00 1.28 N ATOM 135 CA LYS A 31 14.536 -13.186 -3.010 1.00 1.14 C ATOM 136 C LYS A 31 15.438 -12.124 -2.391 1.00 1.01 C ATOM 137 O LYS A 31 15.639 -12.103 -1.176 1.00 1.03 O ATOM 138 CB LYS A 31 13.064 -12.836 -2.783 1.00 1.14 C ATOM 139 CG LYS A 31 12.376 -12.224 -3.991 1.00 1.18 C ATOM 140 CD LYS A 31 11.044 -11.600 -3.610 1.00 1.26 C ATOM 141 CE LYS A 31 9.997 -11.786 -4.701 1.00 1.93 C ATOM 142 NZ LYS A 31 9.691 -13.221 -4.964 1.00 2.75 N ATOM 0 H LYS A 31 14.248 -14.720 -1.624 1.00 1.28 H new ATOM 0 HA LYS A 31 14.723 -13.223 -4.083 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.528 -13.740 -2.493 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.992 -12.140 -1.947 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.022 -11.466 -4.435 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.217 -12.991 -4.749 1.00 1.18 H new ATOM 0 HD2 LYS A 31 10.686 -12.047 -2.683 1.00 1.26 H new ATOM 0 HD3 LYS A 31 11.183 -10.536 -3.418 1.00 1.26 H new ATOM 0 HE2 LYS A 31 9.081 -11.270 -4.412 1.00 1.93 H new ATOM 0 HE3 LYS A 31 10.349 -11.319 -5.621 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 8.728 -13.306 -5.348 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 10.372 -13.601 -5.652 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 9.759 -13.759 -4.076 1.00 2.75 H new ATOM 156 N PRO A 32 16.020 -11.251 -3.219 1.00 0.99 N ATOM 157 CA PRO A 32 16.867 -10.165 -2.736 1.00 0.97 C ATOM 158 C PRO A 32 16.090 -9.148 -1.916 1.00 0.85 C ATOM 159 O PRO A 32 14.975 -8.761 -2.271 1.00 0.89 O ATOM 160 CB PRO A 32 17.394 -9.517 -4.016 1.00 1.14 C ATOM 161 CG PRO A 32 16.412 -9.895 -5.070 1.00 1.38 C ATOM 162 CD PRO A 32 15.914 -11.261 -4.686 1.00 1.13 C ATOM 0 HA PRO A 32 17.652 -10.532 -2.075 1.00 0.97 H new ATOM 0 HB2 PRO A 32 17.463 -8.434 -3.911 1.00 1.14 H new ATOM 0 HB3 PRO A 32 18.393 -9.878 -4.259 1.00 1.14 H new ATOM 0 HG2 PRO A 32 15.592 -9.178 -5.118 1.00 1.38 H new ATOM 0 HG3 PRO A 32 16.880 -9.911 -6.054 1.00 1.38 H new ATOM 0 HD2 PRO A 32 14.888 -11.424 -5.015 1.00 1.13 H new ATOM 0 HD3 PRO A 32 16.520 -12.051 -5.129 1.00 1.13 H new ATOM 170 N GLY A 33 16.694 -8.721 -0.826 1.00 0.83 N ATOM 171 CA GLY A 33 16.077 -7.748 0.041 1.00 0.79 C ATOM 172 C GLY A 33 17.120 -6.970 0.799 1.00 0.76 C ATOM 173 O GLY A 33 17.790 -7.513 1.677 1.00 0.97 O ATOM 0 H GLY A 33 17.615 -9.036 -0.522 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.465 -7.066 -0.548 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.410 -8.250 0.742 1.00 0.79 H new ATOM 177 N ARG A 34 17.282 -5.705 0.450 1.00 0.81 N ATOM 178 CA ARG A 34 18.311 -4.879 1.055 1.00 0.79 C ATOM 179 C ARG A 34 17.701 -3.635 1.673 1.00 0.79 C ATOM 180 O ARG A 34 16.617 -3.207 1.285 1.00 0.97 O ATOM 181 CB ARG A 34 19.364 -4.480 0.017 1.00 0.82 C ATOM 182 CG ARG A 34 19.573 -5.519 -1.073 1.00 1.24 C ATOM 183 CD ARG A 34 20.725 -6.450 -0.744 1.00 1.04 C ATOM 184 NE ARG A 34 21.999 -5.931 -1.233 1.00 0.98 N ATOM 185 CZ ARG A 34 23.071 -6.680 -1.470 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.037 -7.987 -1.244 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.180 -6.116 -1.924 1.00 1.56 N ATOM 0 H ARG A 34 16.713 -5.228 -0.250 1.00 0.81 H new ATOM 0 HA ARG A 34 18.794 -5.462 1.839 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.068 -3.538 -0.444 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.312 -4.303 0.524 1.00 0.82 H new ATOM 0 HG2 ARG A 34 18.660 -6.100 -1.202 1.00 1.24 H new ATOM 0 HG3 ARG A 34 19.769 -5.018 -2.021 1.00 1.24 H new ATOM 0 HD2 ARG A 34 20.781 -6.592 0.335 1.00 1.04 H new ATOM 0 HD3 ARG A 34 20.538 -7.429 -1.185 1.00 1.04 H new ATOM 0 HE ARG A 34 22.071 -4.928 -1.404 1.00 0.98 H new ATOM 0 HH11 ARG A 34 22.186 -8.421 -0.887 1.00 1.93 H new ATOM 0 HH12 ARG A 34 23.862 -8.558 -1.427 1.00 1.93 H new ATOM 0 HH21 ARG A 34 24.209 -5.110 -2.091 1.00 1.56 H new ATOM 0 HH22 ARG A 34 25.005 -6.688 -2.107 1.00 1.56 H new ATOM 201 N LYS A 35 18.392 -3.071 2.647 1.00 0.80 N ATOM 202 CA LYS A 35 17.961 -1.837 3.272 1.00 0.82 C ATOM 203 C LYS A 35 18.602 -0.640 2.577 1.00 0.77 C ATOM 204 O LYS A 35 19.644 -0.138 3.002 1.00 0.93 O ATOM 205 CB LYS A 35 18.310 -1.853 4.763 1.00 0.87 C ATOM 206 CG LYS A 35 19.616 -2.561 5.082 1.00 1.42 C ATOM 207 CD LYS A 35 20.272 -1.995 6.331 1.00 1.71 C ATOM 208 CE LYS A 35 21.266 -0.899 5.992 1.00 1.85 C ATOM 209 NZ LYS A 35 22.668 -1.393 6.007 1.00 2.64 N ATOM 0 H LYS A 35 19.260 -3.452 3.023 1.00 0.80 H new ATOM 0 HA LYS A 35 16.879 -1.748 3.173 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.367 -0.826 5.124 1.00 0.87 H new ATOM 0 HB3 LYS A 35 17.502 -2.338 5.310 1.00 0.87 H new ATOM 0 HG2 LYS A 35 19.428 -3.626 5.220 1.00 1.42 H new ATOM 0 HG3 LYS A 35 20.298 -2.465 4.237 1.00 1.42 H new ATOM 0 HD2 LYS A 35 19.506 -1.599 6.997 1.00 1.71 H new ATOM 0 HD3 LYS A 35 20.781 -2.794 6.870 1.00 1.71 H new ATOM 0 HE2 LYS A 35 21.036 -0.493 5.007 1.00 1.85 H new ATOM 0 HE3 LYS A 35 21.162 -0.082 6.706 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 23.185 -0.947 6.792 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 22.671 -2.425 6.133 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 23.130 -1.153 5.107 1.00 2.64 H new ATOM 223 N THR A 36 17.987 -0.195 1.491 1.00 0.59 N ATOM 224 CA THR A 36 18.511 0.929 0.733 1.00 0.54 C ATOM 225 C THR A 36 17.905 2.237 1.217 1.00 0.46 C ATOM 226 O THR A 36 16.909 2.238 1.946 1.00 0.46 O ATOM 227 CB THR A 36 18.260 0.773 -0.785 1.00 0.56 C ATOM 228 OG1 THR A 36 16.994 1.339 -1.152 1.00 0.54 O ATOM 229 CG2 THR A 36 18.298 -0.692 -1.200 1.00 0.68 C ATOM 0 H THR A 36 17.127 -0.595 1.116 1.00 0.59 H new ATOM 0 HA THR A 36 19.588 0.945 0.899 1.00 0.54 H new ATOM 0 HB THR A 36 19.056 1.307 -1.304 1.00 0.56 H new ATOM 0 HG1 THR A 36 17.126 2.004 -1.859 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.118 -0.771 -2.272 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.276 -1.112 -0.964 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.527 -1.243 -0.661 1.00 0.68 H new ATOM 237 N ASN A 37 18.512 3.351 0.817 1.00 0.42 N ATOM 238 CA ASN A 37 18.034 4.667 1.216 1.00 0.40 C ATOM 239 C ASN A 37 16.648 4.923 0.657 1.00 0.33 C ATOM 240 O ASN A 37 15.792 5.463 1.344 1.00 0.33 O ATOM 241 CB ASN A 37 18.989 5.771 0.759 1.00 0.48 C ATOM 242 CG ASN A 37 18.755 7.074 1.505 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.375 7.076 2.676 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.988 8.193 0.836 1.00 0.78 N ATOM 0 H ASN A 37 19.336 3.366 0.216 1.00 0.42 H new ATOM 0 HA ASN A 37 17.989 4.682 2.305 1.00 0.40 H new ATOM 0 HB2 ASN A 37 20.018 5.446 0.912 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.863 5.939 -0.311 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.853 9.096 1.290 1.00 0.78 H new ATOM 0 HD22 ASN A 37 19.302 8.152 -0.134 1.00 0.78 H new ATOM 251 N GLN A 38 16.426 4.521 -0.592 1.00 0.33 N ATOM 252 CA GLN A 38 15.122 4.669 -1.225 1.00 0.31 C ATOM 253 C GLN A 38 14.086 3.814 -0.503 1.00 0.26 C ATOM 254 O GLN A 38 12.945 4.236 -0.312 1.00 0.25 O ATOM 255 CB GLN A 38 15.198 4.265 -2.699 1.00 0.36 C ATOM 256 CG GLN A 38 14.150 4.931 -3.574 1.00 0.46 C ATOM 257 CD GLN A 38 14.353 4.636 -5.046 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.869 3.629 -5.563 1.00 1.04 O ATOM 259 NE2 GLN A 38 15.067 5.516 -5.731 1.00 0.55 N ATOM 0 H GLN A 38 17.135 4.090 -1.185 1.00 0.33 H new ATOM 0 HA GLN A 38 14.822 5.715 -1.162 1.00 0.31 H new ATOM 0 HB2 GLN A 38 16.188 4.512 -3.083 1.00 0.36 H new ATOM 0 HB3 GLN A 38 15.087 3.183 -2.775 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.159 4.591 -3.272 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.180 6.009 -3.415 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.450 6.337 -5.263 1.00 0.55 H new ATOM 0 HE22 GLN A 38 15.234 5.373 -6.727 1.00 0.55 H new ATOM 268 N LEU A 39 14.502 2.620 -0.093 1.00 0.28 N ATOM 269 CA LEU A 39 13.624 1.708 0.633 1.00 0.31 C ATOM 270 C LEU A 39 13.213 2.314 1.971 1.00 0.29 C ATOM 271 O LEU A 39 12.024 2.464 2.255 1.00 0.30 O ATOM 272 CB LEU A 39 14.313 0.360 0.857 1.00 0.38 C ATOM 273 CG LEU A 39 13.484 -0.677 1.620 1.00 0.45 C ATOM 274 CD1 LEU A 39 13.056 -1.802 0.692 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.273 -1.230 2.798 1.00 0.80 C ATOM 0 H LEU A 39 15.443 2.261 -0.251 1.00 0.28 H new ATOM 0 HA LEU A 39 12.729 1.546 0.031 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.584 -0.057 -0.113 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.242 0.531 1.401 1.00 0.38 H new ATOM 0 HG LEU A 39 12.590 -0.187 2.005 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.468 -2.530 1.250 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.453 -1.395 -0.120 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.939 -2.289 0.279 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.668 -1.965 3.328 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.185 -1.704 2.435 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.532 -0.417 3.476 1.00 0.80 H new ATOM 287 N GLN A 40 14.207 2.680 2.774 1.00 0.29 N ATOM 288 CA GLN A 40 13.962 3.257 4.091 1.00 0.30 C ATOM 289 C GLN A 40 13.237 4.592 3.973 1.00 0.26 C ATOM 290 O GLN A 40 12.447 4.965 4.846 1.00 0.28 O ATOM 291 CB GLN A 40 15.279 3.436 4.846 1.00 0.36 C ATOM 292 CG GLN A 40 15.661 2.225 5.684 1.00 0.42 C ATOM 293 CD GLN A 40 15.288 2.389 7.141 1.00 0.72 C ATOM 294 OE1 GLN A 40 16.066 2.907 7.943 1.00 1.75 O ATOM 295 NE2 GLN A 40 14.096 1.942 7.493 1.00 0.83 N ATOM 0 H GLN A 40 15.194 2.587 2.534 1.00 0.29 H new ATOM 0 HA GLN A 40 13.326 2.571 4.650 1.00 0.30 H new ATOM 0 HB2 GLN A 40 16.075 3.640 4.130 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.202 4.309 5.495 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.168 1.339 5.283 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.735 2.056 5.604 1.00 0.42 H new ATOM 0 HE21 GLN A 40 13.483 1.520 6.795 1.00 0.83 H new ATOM 0 HE22 GLN A 40 13.788 2.019 8.462 1.00 0.83 H new ATOM 304 N TYR A 41 13.514 5.299 2.884 1.00 0.25 N ATOM 305 CA TYR A 41 12.864 6.557 2.576 1.00 0.24 C ATOM 306 C TYR A 41 11.352 6.406 2.597 1.00 0.22 C ATOM 307 O TYR A 41 10.676 7.002 3.426 1.00 0.23 O ATOM 308 CB TYR A 41 13.328 7.031 1.197 1.00 0.24 C ATOM 309 CG TYR A 41 12.803 8.378 0.785 1.00 0.31 C ATOM 310 CD1 TYR A 41 13.493 9.537 1.108 1.00 0.42 C ATOM 311 CD2 TYR A 41 11.615 8.493 0.087 1.00 0.32 C ATOM 312 CE1 TYR A 41 13.016 10.774 0.742 1.00 0.52 C ATOM 313 CE2 TYR A 41 11.127 9.725 -0.285 1.00 0.44 C ATOM 314 CZ TYR A 41 11.842 10.860 0.010 1.00 0.53 C ATOM 315 OH TYR A 41 11.342 12.098 -0.328 1.00 0.64 O ATOM 0 H TYR A 41 14.201 5.009 2.188 1.00 0.25 H new ATOM 0 HA TYR A 41 13.136 7.294 3.332 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.417 7.062 1.187 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.023 6.295 0.453 1.00 0.24 H new ATOM 0 HD1 TYR A 41 14.421 9.467 1.656 1.00 0.42 H new ATOM 0 HD2 TYR A 41 11.061 7.602 -0.170 1.00 0.32 H new ATOM 0 HE1 TYR A 41 13.551 11.669 1.022 1.00 0.52 H new ATOM 0 HE2 TYR A 41 10.185 9.799 -0.807 1.00 0.44 H new ATOM 0 HH TYR A 41 11.867 12.472 -1.066 1.00 0.64 H new ATOM 325 N MET A 42 10.830 5.575 1.707 1.00 0.20 N ATOM 326 CA MET A 42 9.394 5.440 1.538 1.00 0.20 C ATOM 327 C MET A 42 8.713 4.998 2.833 1.00 0.21 C ATOM 328 O MET A 42 7.562 5.360 3.082 1.00 0.22 O ATOM 329 CB MET A 42 9.097 4.458 0.397 1.00 0.23 C ATOM 330 CG MET A 42 7.859 3.597 0.606 1.00 0.80 C ATOM 331 SD MET A 42 7.313 2.790 -0.909 1.00 1.07 S ATOM 332 CE MET A 42 6.821 4.207 -1.884 1.00 1.13 C ATOM 0 H MET A 42 11.384 4.982 1.089 1.00 0.20 H new ATOM 0 HA MET A 42 8.985 6.417 1.281 1.00 0.20 H new ATOM 0 HB2 MET A 42 8.979 5.022 -0.528 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.959 3.805 0.264 1.00 0.23 H new ATOM 0 HG2 MET A 42 8.071 2.840 1.361 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.051 4.217 0.995 1.00 0.80 H new ATOM 0 HE1 MET A 42 5.796 4.073 -2.229 1.00 1.13 H new ATOM 0 HE2 MET A 42 6.883 5.108 -1.274 1.00 1.13 H new ATOM 0 HE3 MET A 42 7.484 4.305 -2.744 1.00 1.13 H new ATOM 342 N GLN A 43 9.429 4.241 3.661 1.00 0.24 N ATOM 343 CA GLN A 43 8.882 3.784 4.935 1.00 0.30 C ATOM 344 C GLN A 43 8.510 4.970 5.811 1.00 0.30 C ATOM 345 O GLN A 43 7.356 5.138 6.194 1.00 0.33 O ATOM 346 CB GLN A 43 9.884 2.911 5.694 1.00 0.42 C ATOM 347 CG GLN A 43 10.469 1.783 4.874 1.00 0.84 C ATOM 348 CD GLN A 43 11.490 0.977 5.653 1.00 0.76 C ATOM 349 OE1 GLN A 43 12.580 0.692 5.165 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.153 0.616 6.879 1.00 0.54 N ATOM 0 H GLN A 43 10.383 3.933 3.474 1.00 0.24 H new ATOM 0 HA GLN A 43 7.994 3.193 4.710 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.696 3.541 6.056 1.00 0.42 H new ATOM 0 HB3 GLN A 43 9.391 2.490 6.571 1.00 0.42 H new ATOM 0 HG2 GLN A 43 9.667 1.125 4.541 1.00 0.84 H new ATOM 0 HG3 GLN A 43 10.938 2.192 3.979 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.238 0.870 7.252 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.808 0.083 7.452 1.00 0.54 H new ATOM 359 N ASN A 44 9.494 5.802 6.096 1.00 0.30 N ATOM 360 CA ASN A 44 9.311 6.914 7.024 1.00 0.33 C ATOM 361 C ASN A 44 8.716 8.129 6.329 1.00 0.31 C ATOM 362 O ASN A 44 8.004 8.925 6.941 1.00 0.34 O ATOM 363 CB ASN A 44 10.644 7.286 7.677 1.00 0.37 C ATOM 364 CG ASN A 44 11.175 6.182 8.572 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.459 5.665 9.432 1.00 0.50 O ATOM 366 ND2 ASN A 44 12.428 5.806 8.367 1.00 0.47 N ATOM 0 H ASN A 44 10.431 5.733 5.700 1.00 0.30 H new ATOM 0 HA ASN A 44 8.611 6.590 7.794 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.377 7.506 6.901 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.517 8.196 8.263 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.836 5.061 8.932 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.985 6.261 7.644 1.00 0.47 H new ATOM 373 N VAL A 45 9.007 8.269 5.053 1.00 0.27 N ATOM 374 CA VAL A 45 8.575 9.431 4.300 1.00 0.27 C ATOM 375 C VAL A 45 7.186 9.247 3.696 1.00 0.24 C ATOM 376 O VAL A 45 6.284 10.044 3.943 1.00 0.28 O ATOM 377 CB VAL A 45 9.570 9.754 3.173 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.067 10.909 2.337 1.00 0.29 C ATOM 379 CG2 VAL A 45 10.949 10.055 3.739 1.00 0.30 C ATOM 0 H VAL A 45 9.543 7.590 4.512 1.00 0.27 H new ATOM 0 HA VAL A 45 8.535 10.258 5.009 1.00 0.27 H new ATOM 0 HB VAL A 45 9.655 8.878 2.530 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.784 11.124 1.544 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.105 10.647 1.896 1.00 0.29 H new ATOM 0 HG13 VAL A 45 8.949 11.790 2.968 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.636 10.281 2.923 1.00 0.30 H new ATOM 0 HG22 VAL A 45 10.888 10.912 4.409 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.313 9.188 4.291 1.00 0.30 H new ATOM 389 N VAL A 46 7.016 8.200 2.902 1.00 0.19 N ATOM 390 CA VAL A 46 5.794 8.032 2.130 1.00 0.19 C ATOM 391 C VAL A 46 4.674 7.397 2.957 1.00 0.19 C ATOM 392 O VAL A 46 3.685 8.056 3.279 1.00 0.19 O ATOM 393 CB VAL A 46 6.045 7.191 0.861 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.775 7.066 0.035 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.165 7.802 0.026 1.00 0.22 C ATOM 0 H VAL A 46 7.704 7.458 2.776 1.00 0.19 H new ATOM 0 HA VAL A 46 5.474 9.032 1.836 1.00 0.19 H new ATOM 0 HB VAL A 46 6.350 6.192 1.172 1.00 0.20 H new ATOM 0 HG11 VAL A 46 4.977 6.469 -0.854 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.001 6.581 0.629 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.436 8.058 -0.263 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.327 7.195 -0.865 1.00 0.22 H new ATOM 0 HG22 VAL A 46 6.888 8.814 -0.270 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.082 7.835 0.615 1.00 0.22 H new ATOM 405 N VAL A 47 4.847 6.131 3.334 1.00 0.20 N ATOM 406 CA VAL A 47 3.759 5.381 3.970 1.00 0.23 C ATOM 407 C VAL A 47 3.512 5.850 5.404 1.00 0.23 C ATOM 408 O VAL A 47 2.371 5.876 5.859 1.00 0.25 O ATOM 409 CB VAL A 47 4.000 3.848 3.935 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.392 3.496 4.411 1.00 0.70 C ATOM 411 CG2 VAL A 47 2.947 3.100 4.747 1.00 0.83 C ATOM 0 H VAL A 47 5.714 5.608 3.214 1.00 0.20 H new ATOM 0 HA VAL A 47 2.864 5.587 3.384 1.00 0.23 H new ATOM 0 HB VAL A 47 3.911 3.532 2.896 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.527 2.415 4.374 1.00 0.70 H new ATOM 0 HG12 VAL A 47 6.129 3.976 3.767 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.525 3.843 5.436 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.145 2.029 4.701 1.00 0.83 H new ATOM 0 HG22 VAL A 47 2.984 3.432 5.785 1.00 0.83 H new ATOM 0 HG23 VAL A 47 1.958 3.304 4.336 1.00 0.83 H new ATOM 421 N LYS A 48 4.566 6.248 6.106 1.00 0.26 N ATOM 422 CA LYS A 48 4.420 6.727 7.474 1.00 0.30 C ATOM 423 C LYS A 48 3.535 7.971 7.521 1.00 0.28 C ATOM 424 O LYS A 48 2.761 8.157 8.457 1.00 0.33 O ATOM 425 CB LYS A 48 5.788 7.026 8.082 1.00 0.36 C ATOM 426 CG LYS A 48 6.019 6.366 9.435 1.00 0.53 C ATOM 427 CD LYS A 48 5.996 4.844 9.338 1.00 1.25 C ATOM 428 CE LYS A 48 7.399 4.261 9.239 1.00 1.79 C ATOM 429 NZ LYS A 48 7.792 3.518 10.468 1.00 2.40 N ATOM 0 H LYS A 48 5.523 6.249 5.754 1.00 0.26 H new ATOM 0 HA LYS A 48 3.941 5.943 8.061 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.562 6.695 7.390 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.898 8.105 8.191 1.00 0.36 H new ATOM 0 HG2 LYS A 48 6.979 6.689 9.837 1.00 0.53 H new ATOM 0 HG3 LYS A 48 5.252 6.697 10.136 1.00 0.53 H new ATOM 0 HD2 LYS A 48 5.492 4.432 10.212 1.00 1.25 H new ATOM 0 HD3 LYS A 48 5.416 4.544 8.465 1.00 1.25 H new ATOM 0 HE2 LYS A 48 7.452 3.592 8.380 1.00 1.79 H new ATOM 0 HE3 LYS A 48 8.112 5.066 9.060 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 8.754 3.140 10.353 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 7.768 4.161 11.285 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 7.128 2.733 10.626 1.00 2.40 H new ATOM 443 N THR A 49 3.639 8.810 6.497 1.00 0.23 N ATOM 444 CA THR A 49 2.818 10.008 6.414 1.00 0.24 C ATOM 445 C THR A 49 1.421 9.676 5.887 1.00 0.22 C ATOM 446 O THR A 49 0.426 10.239 6.351 1.00 0.24 O ATOM 447 CB THR A 49 3.475 11.080 5.522 1.00 0.28 C ATOM 448 OG1 THR A 49 4.824 11.308 5.954 1.00 0.55 O ATOM 449 CG2 THR A 49 2.697 12.386 5.580 1.00 0.52 C ATOM 0 H THR A 49 4.282 8.682 5.716 1.00 0.23 H new ATOM 0 HA THR A 49 2.728 10.410 7.423 1.00 0.24 H new ATOM 0 HB THR A 49 3.472 10.719 4.493 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.444 10.860 5.341 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.181 13.126 4.942 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.678 12.218 5.232 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.675 12.751 6.607 1.00 0.52 H new ATOM 457 N LEU A 50 1.351 8.751 4.934 1.00 0.20 N ATOM 458 CA LEU A 50 0.072 8.309 4.391 1.00 0.21 C ATOM 459 C LEU A 50 -0.776 7.681 5.495 1.00 0.20 C ATOM 460 O LEU A 50 -1.978 7.918 5.579 1.00 0.21 O ATOM 461 CB LEU A 50 0.291 7.296 3.256 1.00 0.24 C ATOM 462 CG LEU A 50 -0.598 7.467 2.008 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.172 6.128 1.572 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.721 8.461 2.261 1.00 0.29 C ATOM 0 H LEU A 50 2.165 8.294 4.523 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.452 9.175 3.988 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.334 7.352 2.944 1.00 0.24 H new ATOM 0 HB3 LEU A 50 0.131 6.295 3.655 1.00 0.24 H new ATOM 0 HG LEU A 50 0.029 7.860 1.207 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.796 6.270 0.690 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.358 5.443 1.334 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.774 5.710 2.379 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.330 8.559 1.362 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.343 8.106 3.083 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.297 9.431 2.520 1.00 0.29 H new ATOM 476 N TRP A 51 -0.128 6.900 6.352 1.00 0.22 N ATOM 477 CA TRP A 51 -0.805 6.233 7.455 1.00 0.24 C ATOM 478 C TRP A 51 -1.363 7.241 8.457 1.00 0.26 C ATOM 479 O TRP A 51 -2.392 7.003 9.082 1.00 0.29 O ATOM 480 CB TRP A 51 0.160 5.279 8.163 1.00 0.27 C ATOM 481 CG TRP A 51 -0.535 4.278 9.031 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.954 4.466 10.313 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.895 2.940 8.680 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.559 3.330 10.783 1.00 0.32 N ATOM 485 CE2 TRP A 51 -1.536 2.375 9.798 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.740 2.163 7.528 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -2.024 1.070 9.795 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -1.222 0.869 7.527 1.00 0.37 C ATOM 489 CH2 TRP A 51 -1.858 0.333 8.653 1.00 0.39 C ATOM 0 H TRP A 51 0.873 6.713 6.302 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.640 5.667 7.042 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.754 4.753 7.416 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.854 5.859 8.772 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.828 5.378 10.877 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.961 3.213 11.713 1.00 0.32 H new ATOM 0 HE3 TRP A 51 -0.252 2.568 6.654 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -2.516 0.655 10.662 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -1.106 0.260 6.643 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -2.225 -0.682 8.620 1.00 0.39 H new ATOM 500 N LYS A 52 -0.689 8.370 8.603 1.00 0.27 N ATOM 501 CA LYS A 52 -1.084 9.357 9.597 1.00 0.29 C ATOM 502 C LYS A 52 -2.257 10.209 9.116 1.00 0.30 C ATOM 503 O LYS A 52 -2.843 10.962 9.896 1.00 0.45 O ATOM 504 CB LYS A 52 0.101 10.238 9.971 1.00 0.33 C ATOM 505 CG LYS A 52 0.957 9.653 11.089 1.00 0.48 C ATOM 506 CD LYS A 52 2.415 10.061 10.943 1.00 1.13 C ATOM 507 CE LYS A 52 3.052 10.359 12.291 1.00 1.74 C ATOM 508 NZ LYS A 52 4.256 11.221 12.161 1.00 2.24 N ATOM 0 H LYS A 52 0.129 8.626 8.050 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.416 8.817 10.484 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.723 10.392 9.089 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.266 11.218 10.278 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.578 9.990 12.054 1.00 0.48 H new ATOM 0 HG3 LYS A 52 0.879 8.566 11.078 1.00 0.48 H new ATOM 0 HD2 LYS A 52 2.968 9.264 10.447 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.484 10.942 10.305 1.00 1.13 H new ATOM 0 HE2 LYS A 52 2.323 10.850 12.936 1.00 1.74 H new ATOM 0 HE3 LYS A 52 3.327 9.423 12.776 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 4.659 11.399 13.103 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 4.963 10.742 11.567 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 3.990 12.125 11.722 1.00 2.24 H new ATOM 522 N HIS A 53 -2.607 10.086 7.842 1.00 0.25 N ATOM 523 CA HIS A 53 -3.762 10.792 7.304 1.00 0.26 C ATOM 524 C HIS A 53 -5.040 10.204 7.892 1.00 0.31 C ATOM 525 O HIS A 53 -5.246 8.991 7.863 1.00 0.35 O ATOM 526 CB HIS A 53 -3.792 10.696 5.778 1.00 0.24 C ATOM 527 CG HIS A 53 -4.537 11.814 5.116 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.816 11.644 4.651 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.134 13.077 4.845 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.158 12.794 4.101 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.171 13.697 4.196 1.00 0.39 N ATOM 0 H HIS A 53 -2.110 9.507 7.165 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.689 11.844 7.578 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.768 10.683 5.404 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.248 9.748 5.492 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.178 13.514 5.093 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.113 12.984 3.633 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.188 14.657 3.853 1.00 0.39 H new ATOM 539 N GLN A 54 -5.906 11.063 8.410 1.00 0.42 N ATOM 540 CA GLN A 54 -7.089 10.602 9.130 1.00 0.54 C ATOM 541 C GLN A 54 -8.212 10.213 8.176 1.00 0.42 C ATOM 542 O GLN A 54 -9.343 9.974 8.595 1.00 0.47 O ATOM 543 CB GLN A 54 -7.562 11.674 10.112 1.00 0.79 C ATOM 544 CG GLN A 54 -6.753 11.706 11.401 1.00 1.09 C ATOM 545 CD GLN A 54 -6.392 10.317 11.901 1.00 1.24 C ATOM 546 OE1 GLN A 54 -7.180 9.664 12.585 1.00 1.91 O ATOM 547 NE2 GLN A 54 -5.196 9.856 11.566 1.00 1.21 N ATOM 0 H GLN A 54 -5.815 12.077 8.347 1.00 0.42 H new ATOM 0 HA GLN A 54 -6.812 9.708 9.689 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.504 12.650 9.630 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.611 11.499 10.353 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -5.839 12.278 11.238 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -7.323 12.228 12.170 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -4.570 10.427 10.998 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -4.901 8.930 11.876 1.00 1.21 H new ATOM 556 N PHE A 55 -7.895 10.162 6.893 1.00 0.36 N ATOM 557 CA PHE A 55 -8.828 9.667 5.893 1.00 0.31 C ATOM 558 C PHE A 55 -8.336 8.332 5.351 1.00 0.27 C ATOM 559 O PHE A 55 -9.007 7.680 4.555 1.00 0.29 O ATOM 560 CB PHE A 55 -8.982 10.682 4.758 1.00 0.36 C ATOM 561 CG PHE A 55 -10.221 11.533 4.854 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.919 11.653 6.049 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.688 12.215 3.744 1.00 0.73 C ATOM 564 CE1 PHE A 55 -12.056 12.431 6.129 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.825 12.997 3.820 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.509 13.106 5.014 1.00 0.86 C ATOM 0 H PHE A 55 -6.994 10.459 6.517 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.804 9.524 6.356 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.108 11.333 4.747 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -8.994 10.148 3.808 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.567 11.131 6.927 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.157 12.135 2.807 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.591 12.512 7.064 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.178 13.523 2.945 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.397 13.718 5.075 1.00 0.86 H new ATOM 576 N ALA A 56 -7.161 7.922 5.815 1.00 0.25 N ATOM 577 CA ALA A 56 -6.558 6.668 5.384 1.00 0.25 C ATOM 578 C ALA A 56 -6.938 5.539 6.327 1.00 0.26 C ATOM 579 O ALA A 56 -6.424 4.427 6.224 1.00 0.28 O ATOM 580 CB ALA A 56 -5.045 6.810 5.311 1.00 0.28 C ATOM 0 H ALA A 56 -6.605 8.443 6.493 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.936 6.427 4.391 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.606 5.866 4.988 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.787 7.593 4.598 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.656 7.073 6.295 1.00 0.28 H new ATOM 586 N TRP A 57 -7.866 5.829 7.226 1.00 0.30 N ATOM 587 CA TRP A 57 -8.259 4.878 8.260 1.00 0.34 C ATOM 588 C TRP A 57 -8.921 3.593 7.712 1.00 0.35 C ATOM 589 O TRP A 57 -8.770 2.538 8.329 1.00 0.40 O ATOM 590 CB TRP A 57 -9.150 5.550 9.317 1.00 0.37 C ATOM 591 CG TRP A 57 -10.513 5.944 8.832 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.858 7.118 8.233 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.715 5.167 8.914 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.195 7.120 7.932 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.745 5.933 8.337 1.00 0.46 C ATOM 596 CE3 TRP A 57 -12.020 3.897 9.410 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -14.056 5.472 8.247 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.321 3.441 9.320 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.325 4.226 8.742 1.00 0.58 C ATOM 0 H TRP A 57 -8.364 6.718 7.262 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.331 4.554 8.732 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.263 4.871 10.162 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.641 6.439 9.689 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.176 7.930 8.025 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.699 7.883 7.479 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.252 3.282 9.856 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.832 6.077 7.802 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.568 2.462 9.702 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.332 3.840 8.686 1.00 0.58 H new ATOM 610 N PRO A 58 -9.665 3.615 6.570 1.00 0.34 N ATOM 611 CA PRO A 58 -10.232 2.384 6.003 1.00 0.40 C ATOM 612 C PRO A 58 -9.162 1.509 5.354 1.00 0.36 C ATOM 613 O PRO A 58 -9.442 0.400 4.904 1.00 0.45 O ATOM 614 CB PRO A 58 -11.229 2.880 4.946 1.00 0.47 C ATOM 615 CG PRO A 58 -11.353 4.349 5.157 1.00 0.40 C ATOM 616 CD PRO A 58 -10.059 4.786 5.766 1.00 0.32 C ATOM 0 HA PRO A 58 -10.694 1.763 6.771 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.873 2.659 3.940 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.194 2.387 5.058 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.535 4.865 4.214 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.192 4.580 5.814 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.314 5.024 5.006 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.182 5.677 6.382 1.00 0.32 H new ATOM 624 N PHE A 59 -7.936 2.016 5.317 1.00 0.31 N ATOM 625 CA PHE A 59 -6.818 1.280 4.750 1.00 0.31 C ATOM 626 C PHE A 59 -5.856 0.857 5.857 1.00 0.31 C ATOM 627 O PHE A 59 -4.694 0.549 5.606 1.00 0.52 O ATOM 628 CB PHE A 59 -6.087 2.137 3.710 1.00 0.36 C ATOM 629 CG PHE A 59 -6.633 2.013 2.313 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.935 0.772 1.775 1.00 0.92 C ATOM 631 CD2 PHE A 59 -6.842 3.142 1.534 1.00 0.68 C ATOM 632 CE1 PHE A 59 -7.434 0.659 0.492 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.340 3.034 0.250 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.636 1.792 -0.271 1.00 0.95 C ATOM 0 H PHE A 59 -7.692 2.939 5.676 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.201 0.387 4.255 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.138 3.182 4.016 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.033 1.858 3.702 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -6.778 -0.118 2.366 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -6.612 4.118 1.937 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -7.666 -0.315 0.086 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -7.497 3.921 -0.345 1.00 0.87 H new ATOM 0 HZ PHE A 59 -8.025 1.706 -1.275 1.00 0.95 H new ATOM 644 N TYR A 60 -6.359 0.852 7.088 1.00 0.35 N ATOM 645 CA TYR A 60 -5.563 0.457 8.249 1.00 0.39 C ATOM 646 C TYR A 60 -5.607 -1.057 8.435 1.00 0.45 C ATOM 647 O TYR A 60 -4.894 -1.614 9.273 1.00 0.63 O ATOM 648 CB TYR A 60 -6.104 1.120 9.523 1.00 0.46 C ATOM 649 CG TYR A 60 -5.679 2.559 9.747 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.960 3.231 8.766 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.978 3.241 10.921 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.550 4.536 8.944 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.568 4.549 11.108 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.941 5.203 10.201 1.00 0.45 C ATOM 655 OH TYR A 60 -4.442 6.490 10.295 1.00 0.58 O ATOM 0 H TYR A 60 -7.319 1.118 7.309 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.536 0.779 8.074 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -7.193 1.082 9.496 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.786 0.529 10.382 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.717 2.721 7.845 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.538 2.743 11.698 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.966 5.049 8.194 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -5.783 5.035 12.048 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.884 6.682 9.513 1.00 0.58 H new ATOM 665 N GLN A 61 -6.467 -1.718 7.671 1.00 0.46 N ATOM 666 CA GLN A 61 -6.725 -3.139 7.859 1.00 0.55 C ATOM 667 C GLN A 61 -6.739 -3.871 6.520 1.00 0.56 C ATOM 668 O GLN A 61 -7.400 -3.434 5.577 1.00 0.57 O ATOM 669 CB GLN A 61 -8.063 -3.349 8.582 1.00 0.65 C ATOM 670 CG GLN A 61 -8.699 -2.061 9.080 1.00 0.71 C ATOM 671 CD GLN A 61 -8.650 -1.930 10.588 1.00 1.09 C ATOM 672 OE1 GLN A 61 -9.683 -1.904 11.253 1.00 1.57 O ATOM 673 NE2 GLN A 61 -7.450 -1.838 11.136 1.00 1.63 N ATOM 0 H GLN A 61 -6.999 -1.291 6.913 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.921 -3.549 8.471 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.757 -3.848 7.905 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -7.907 -4.017 9.429 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -8.188 -1.210 8.629 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -9.737 -2.022 8.750 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -6.617 -1.864 10.548 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -7.357 -1.741 12.147 1.00 1.63 H new ATOM 682 N PRO A 62 -6.012 -4.995 6.429 1.00 0.63 N ATOM 683 CA PRO A 62 -5.908 -5.773 5.190 1.00 0.68 C ATOM 684 C PRO A 62 -7.225 -6.439 4.789 1.00 0.69 C ATOM 685 O PRO A 62 -8.083 -6.732 5.629 1.00 0.77 O ATOM 686 CB PRO A 62 -4.852 -6.833 5.517 1.00 0.78 C ATOM 687 CG PRO A 62 -4.856 -6.948 7.000 1.00 0.87 C ATOM 688 CD PRO A 62 -5.222 -5.589 7.524 1.00 0.73 C ATOM 0 HA PRO A 62 -5.650 -5.138 4.343 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -5.094 -7.787 5.048 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.870 -6.537 5.148 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -5.574 -7.699 7.330 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -3.878 -7.257 7.369 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -5.801 -5.657 8.445 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -4.337 -4.994 7.748 1.00 0.73 H new ATOM 696 N VAL A 63 -7.367 -6.698 3.499 1.00 0.66 N ATOM 697 CA VAL A 63 -8.570 -7.306 2.965 1.00 0.69 C ATOM 698 C VAL A 63 -8.352 -8.804 2.800 1.00 0.77 C ATOM 699 O VAL A 63 -7.684 -9.258 1.870 1.00 0.88 O ATOM 700 CB VAL A 63 -8.983 -6.656 1.623 1.00 0.73 C ATOM 701 CG1 VAL A 63 -9.910 -7.561 0.827 1.00 0.82 C ATOM 702 CG2 VAL A 63 -9.647 -5.312 1.870 1.00 0.75 C ATOM 0 H VAL A 63 -6.655 -6.493 2.798 1.00 0.66 H new ATOM 0 HA VAL A 63 -9.387 -7.139 3.667 1.00 0.69 H new ATOM 0 HB VAL A 63 -8.078 -6.504 1.035 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -10.180 -7.072 -0.109 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -9.404 -8.502 0.613 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -10.812 -7.758 1.406 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -9.932 -4.866 0.917 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -10.536 -5.453 2.485 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -8.950 -4.651 2.385 1.00 0.75 H new ATOM 712 N ASP A 64 -8.890 -9.564 3.732 1.00 0.79 N ATOM 713 CA ASP A 64 -8.730 -11.005 3.721 1.00 0.93 C ATOM 714 C ASP A 64 -10.044 -11.696 3.348 1.00 1.00 C ATOM 715 O ASP A 64 -10.153 -12.923 3.404 1.00 1.51 O ATOM 716 CB ASP A 64 -8.199 -11.466 5.085 1.00 1.02 C ATOM 717 CG ASP A 64 -9.265 -12.063 5.982 1.00 1.29 C ATOM 718 OD1 ASP A 64 -10.327 -11.429 6.155 1.00 1.85 O ATOM 719 OD2 ASP A 64 -9.042 -13.170 6.509 1.00 1.42 O ATOM 0 H ASP A 64 -9.444 -9.206 4.510 1.00 0.79 H new ATOM 0 HA ASP A 64 -8.003 -11.287 2.959 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -7.413 -12.204 4.928 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.742 -10.617 5.593 1.00 1.02 H new ATOM 724 N ALA A 65 -11.023 -10.867 2.959 1.00 0.94 N ATOM 725 CA ALA A 65 -12.359 -11.305 2.518 1.00 0.94 C ATOM 726 C ALA A 65 -13.323 -11.494 3.689 1.00 1.03 C ATOM 727 O ALA A 65 -14.537 -11.442 3.508 1.00 1.29 O ATOM 728 CB ALA A 65 -12.305 -12.573 1.669 1.00 0.96 C ATOM 0 H ALA A 65 -10.908 -9.854 2.941 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.741 -10.498 1.892 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -13.315 -12.854 1.370 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.701 -12.390 0.780 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -11.861 -13.381 2.250 1.00 0.96 H new ATOM 734 N ILE A 66 -12.796 -11.687 4.887 1.00 1.03 N ATOM 735 CA ILE A 66 -13.637 -11.919 6.056 1.00 1.14 C ATOM 736 C ILE A 66 -13.539 -10.758 7.043 1.00 1.13 C ATOM 737 O ILE A 66 -14.551 -10.304 7.580 1.00 1.19 O ATOM 738 CB ILE A 66 -13.268 -13.249 6.752 1.00 1.24 C ATOM 739 CG1 ILE A 66 -13.695 -14.429 5.875 1.00 1.35 C ATOM 740 CG2 ILE A 66 -13.917 -13.349 8.126 1.00 1.37 C ATOM 741 CD1 ILE A 66 -12.552 -15.336 5.481 1.00 1.89 C ATOM 0 H ILE A 66 -11.794 -11.688 5.078 1.00 1.03 H new ATOM 0 HA ILE A 66 -14.668 -11.988 5.710 1.00 1.14 H new ATOM 0 HB ILE A 66 -12.187 -13.276 6.890 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -14.445 -15.014 6.408 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -14.172 -14.046 4.973 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -13.640 -14.295 8.591 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -13.576 -12.523 8.750 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -15.001 -13.301 8.021 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -12.930 -16.149 4.861 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -11.812 -14.766 4.920 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -12.089 -15.748 6.378 1.00 1.89 H new ATOM 753 N LYS A 67 -12.321 -10.274 7.258 1.00 1.10 N ATOM 754 CA LYS A 67 -12.066 -9.150 8.153 1.00 1.15 C ATOM 755 C LYS A 67 -12.944 -7.955 7.793 1.00 1.13 C ATOM 756 O LYS A 67 -13.682 -7.439 8.631 1.00 1.27 O ATOM 757 CB LYS A 67 -10.585 -8.758 8.094 1.00 1.21 C ATOM 758 CG LYS A 67 -10.230 -7.553 8.951 1.00 1.50 C ATOM 759 CD LYS A 67 -10.342 -7.870 10.434 1.00 1.90 C ATOM 760 CE LYS A 67 -9.961 -6.670 11.278 1.00 2.46 C ATOM 761 NZ LYS A 67 -10.318 -6.862 12.707 1.00 2.99 N ATOM 0 H LYS A 67 -11.482 -10.650 6.817 1.00 1.10 H new ATOM 0 HA LYS A 67 -12.313 -9.457 9.169 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.982 -9.608 8.413 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -10.317 -8.547 7.059 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -9.214 -7.230 8.723 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -10.892 -6.723 8.705 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -11.362 -8.174 10.668 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -9.694 -8.712 10.679 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -8.889 -6.492 11.192 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -10.464 -5.782 10.894 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -10.041 -6.019 13.250 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -11.344 -7.007 12.792 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -9.819 -7.694 13.081 1.00 2.99 H new ATOM 775 N LEU A 68 -12.875 -7.533 6.537 1.00 1.02 N ATOM 776 CA LEU A 68 -13.686 -6.412 6.070 1.00 1.03 C ATOM 777 C LEU A 68 -14.992 -6.912 5.458 1.00 1.05 C ATOM 778 O LEU A 68 -15.811 -6.122 4.985 1.00 1.10 O ATOM 779 CB LEU A 68 -12.914 -5.576 5.045 1.00 1.02 C ATOM 780 CG LEU A 68 -13.253 -4.083 5.039 1.00 1.07 C ATOM 781 CD1 LEU A 68 -13.096 -3.488 6.431 1.00 1.61 C ATOM 782 CD2 LEU A 68 -12.375 -3.343 4.044 1.00 1.66 C ATOM 0 H LEU A 68 -12.271 -7.946 5.826 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.919 -5.783 6.929 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.847 -5.690 5.236 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -13.105 -5.980 4.051 1.00 1.02 H new ATOM 0 HG LEU A 68 -14.294 -3.971 4.735 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -13.342 -2.426 6.403 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -13.767 -3.998 7.122 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -12.066 -3.613 6.766 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -12.629 -2.283 4.052 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -11.328 -3.467 4.320 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -12.537 -3.747 3.045 1.00 1.66 H new ATOM 794 N ASN A 69 -15.177 -8.229 5.494 1.00 1.06 N ATOM 795 CA ASN A 69 -16.348 -8.882 4.906 1.00 1.12 C ATOM 796 C ASN A 69 -16.477 -8.526 3.428 1.00 1.09 C ATOM 797 O ASN A 69 -17.360 -7.769 3.029 1.00 1.15 O ATOM 798 CB ASN A 69 -17.619 -8.514 5.668 1.00 1.24 C ATOM 799 CG ASN A 69 -18.676 -9.597 5.577 1.00 1.34 C ATOM 800 OD1 ASN A 69 -19.788 -9.360 5.109 1.00 1.74 O ATOM 801 ND2 ASN A 69 -18.338 -10.795 6.032 1.00 1.55 N ATOM 0 H ASN A 69 -14.520 -8.876 5.931 1.00 1.06 H new ATOM 0 HA ASN A 69 -16.211 -9.960 4.986 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -17.374 -8.335 6.715 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -18.021 -7.582 5.271 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -19.011 -11.561 6.001 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -17.405 -10.951 6.413 1.00 1.55 H new ATOM 808 N LEU A 70 -15.577 -9.084 2.634 1.00 1.04 N ATOM 809 CA LEU A 70 -15.484 -8.790 1.211 1.00 1.01 C ATOM 810 C LEU A 70 -15.381 -10.093 0.415 1.00 0.99 C ATOM 811 O LEU A 70 -14.306 -10.450 -0.065 1.00 0.95 O ATOM 812 CB LEU A 70 -14.248 -7.916 0.952 1.00 1.01 C ATOM 813 CG LEU A 70 -14.515 -6.477 0.496 1.00 1.13 C ATOM 814 CD1 LEU A 70 -15.951 -6.062 0.774 1.00 1.61 C ATOM 815 CD2 LEU A 70 -13.547 -5.527 1.181 1.00 1.54 C ATOM 0 H LEU A 70 -14.885 -9.759 2.960 1.00 1.04 H new ATOM 0 HA LEU A 70 -16.378 -8.254 0.892 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -13.657 -7.880 1.867 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -13.635 -8.406 0.195 1.00 1.01 H new ATOM 0 HG LEU A 70 -14.361 -6.430 -0.582 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -16.105 -5.037 0.438 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -16.631 -6.725 0.239 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -16.148 -6.127 1.844 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -13.744 -4.507 0.851 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -13.678 -5.591 2.261 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -12.524 -5.801 0.923 1.00 1.54 H new ATOM 827 N PRO A 71 -16.500 -10.823 0.271 1.00 1.06 N ATOM 828 CA PRO A 71 -16.500 -12.157 -0.344 1.00 1.11 C ATOM 829 C PRO A 71 -16.306 -12.127 -1.861 1.00 1.05 C ATOM 830 O PRO A 71 -15.633 -12.989 -2.425 1.00 1.09 O ATOM 831 CB PRO A 71 -17.888 -12.700 0.007 1.00 1.28 C ATOM 832 CG PRO A 71 -18.747 -11.498 0.175 1.00 1.30 C ATOM 833 CD PRO A 71 -17.853 -10.405 0.694 1.00 1.18 C ATOM 0 HA PRO A 71 -15.672 -12.765 0.021 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -18.268 -13.348 -0.782 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -17.859 -13.294 0.921 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -19.202 -11.210 -0.773 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -19.561 -11.697 0.872 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -18.122 -9.436 0.274 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.922 -10.313 1.778 1.00 1.18 H new ATOM 841 N ASP A 72 -16.885 -11.131 -2.518 1.00 1.04 N ATOM 842 CA ASP A 72 -16.839 -11.048 -3.975 1.00 1.07 C ATOM 843 C ASP A 72 -15.638 -10.233 -4.436 1.00 0.94 C ATOM 844 O ASP A 72 -15.396 -10.073 -5.633 1.00 0.95 O ATOM 845 CB ASP A 72 -18.142 -10.447 -4.520 1.00 1.24 C ATOM 846 CG ASP A 72 -18.235 -8.942 -4.338 1.00 1.49 C ATOM 847 OD1 ASP A 72 -17.654 -8.424 -3.363 1.00 1.97 O ATOM 848 OD2 ASP A 72 -18.865 -8.266 -5.180 1.00 1.93 O ATOM 0 H ASP A 72 -17.392 -10.369 -2.067 1.00 1.04 H new ATOM 0 HA ASP A 72 -16.732 -12.058 -4.370 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -18.226 -10.683 -5.581 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -18.988 -10.919 -4.020 1.00 1.24 H new ATOM 853 N TYR A 73 -14.880 -9.741 -3.471 1.00 0.87 N ATOM 854 CA TYR A 73 -13.690 -8.953 -3.748 1.00 0.79 C ATOM 855 C TYR A 73 -12.629 -9.801 -4.435 1.00 0.74 C ATOM 856 O TYR A 73 -12.023 -9.379 -5.419 1.00 0.73 O ATOM 857 CB TYR A 73 -13.138 -8.396 -2.439 1.00 0.78 C ATOM 858 CG TYR A 73 -12.646 -6.973 -2.531 1.00 0.73 C ATOM 859 CD1 TYR A 73 -13.532 -5.929 -2.753 1.00 0.88 C ATOM 860 CD2 TYR A 73 -11.298 -6.676 -2.409 1.00 0.80 C ATOM 861 CE1 TYR A 73 -13.086 -4.627 -2.847 1.00 0.97 C ATOM 862 CE2 TYR A 73 -10.845 -5.376 -2.503 1.00 0.90 C ATOM 863 CZ TYR A 73 -11.742 -4.353 -2.680 1.00 0.94 C ATOM 864 OH TYR A 73 -11.297 -3.059 -2.811 1.00 1.13 O ATOM 0 H TYR A 73 -15.070 -9.875 -2.478 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.958 -8.133 -4.415 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.916 -8.451 -1.677 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -12.318 -9.031 -2.104 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -14.587 -6.139 -2.854 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -10.591 -7.474 -2.238 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -13.783 -3.827 -3.050 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -9.788 -5.164 -2.437 1.00 0.90 H new ATOM 0 HH TYR A 73 -10.522 -3.039 -3.411 1.00 1.13 H new ATOM 874 N HIS A 74 -12.452 -11.017 -3.934 1.00 0.79 N ATOM 875 CA HIS A 74 -11.382 -11.904 -4.388 1.00 0.80 C ATOM 876 C HIS A 74 -11.704 -12.546 -5.739 1.00 0.85 C ATOM 877 O HIS A 74 -11.018 -13.472 -6.182 1.00 0.91 O ATOM 878 CB HIS A 74 -11.127 -12.993 -3.341 1.00 0.89 C ATOM 879 CG HIS A 74 -10.449 -12.497 -2.096 1.00 0.79 C ATOM 880 ND1 HIS A 74 -10.524 -11.180 -1.710 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.706 -13.178 -1.192 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.830 -11.089 -0.591 1.00 0.78 C ATOM 883 NE2 HIS A 74 -9.313 -12.276 -0.238 1.00 0.82 N ATOM 0 H HIS A 74 -13.042 -11.417 -3.205 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.485 -11.298 -4.516 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -12.078 -13.449 -3.067 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -10.515 -13.776 -3.788 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -9.468 -14.231 -1.218 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -9.695 -10.176 -0.031 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -8.738 -12.470 0.582 1.00 0.82 H new ATOM 891 N LYS A 75 -12.754 -12.064 -6.386 1.00 0.89 N ATOM 892 CA LYS A 75 -13.115 -12.534 -7.711 1.00 0.97 C ATOM 893 C LYS A 75 -12.573 -11.567 -8.746 1.00 0.92 C ATOM 894 O LYS A 75 -11.930 -11.968 -9.716 1.00 1.11 O ATOM 895 CB LYS A 75 -14.636 -12.650 -7.849 1.00 1.09 C ATOM 896 CG LYS A 75 -15.320 -13.238 -6.627 1.00 1.20 C ATOM 897 CD LYS A 75 -15.762 -14.669 -6.875 1.00 1.68 C ATOM 898 CE LYS A 75 -16.573 -15.205 -5.710 1.00 2.05 C ATOM 899 NZ LYS A 75 -17.016 -16.603 -5.943 1.00 2.86 N ATOM 0 H LYS A 75 -13.372 -11.344 -6.011 1.00 0.89 H new ATOM 0 HA LYS A 75 -12.683 -13.522 -7.868 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.050 -11.661 -8.045 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -14.867 -13.269 -8.716 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -14.638 -13.208 -5.777 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -16.185 -12.629 -6.364 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -16.357 -14.715 -7.787 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -14.887 -15.300 -7.033 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -15.975 -15.160 -4.800 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -17.444 -14.569 -5.551 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -17.567 -16.933 -5.125 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -17.608 -16.642 -6.797 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -16.184 -17.214 -6.070 1.00 2.86 H new ATOM 913 N ILE A 76 -12.814 -10.286 -8.506 1.00 0.78 N ATOM 914 CA ILE A 76 -12.369 -9.241 -9.407 1.00 0.77 C ATOM 915 C ILE A 76 -10.965 -8.773 -9.035 1.00 0.69 C ATOM 916 O ILE A 76 -10.059 -8.760 -9.869 1.00 0.78 O ATOM 917 CB ILE A 76 -13.340 -8.039 -9.386 1.00 0.82 C ATOM 918 CG1 ILE A 76 -14.748 -8.482 -9.789 1.00 0.94 C ATOM 919 CG2 ILE A 76 -12.849 -6.934 -10.309 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.782 -8.290 -8.701 1.00 1.00 C ATOM 0 H ILE A 76 -13.319 -9.947 -7.687 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.352 -9.658 -10.414 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.376 -7.647 -8.370 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.056 -7.923 -10.673 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -14.721 -9.535 -10.071 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -13.547 -6.098 -10.279 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -11.865 -6.597 -9.982 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -12.782 -7.314 -11.328 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.755 -8.626 -9.060 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.499 -8.871 -7.823 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.838 -7.234 -8.435 1.00 1.00 H new ATOM 932 N ILE A 77 -10.783 -8.413 -7.772 1.00 0.58 N ATOM 933 CA ILE A 77 -9.495 -7.941 -7.300 1.00 0.53 C ATOM 934 C ILE A 77 -8.673 -9.113 -6.779 1.00 0.64 C ATOM 935 O ILE A 77 -8.846 -9.554 -5.645 1.00 0.75 O ATOM 936 CB ILE A 77 -9.639 -6.868 -6.192 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.676 -5.805 -6.585 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.301 -6.204 -5.918 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.385 -5.116 -7.904 1.00 0.50 C ATOM 0 H ILE A 77 -11.512 -8.440 -7.059 1.00 0.58 H new ATOM 0 HA ILE A 77 -8.986 -7.477 -8.145 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.982 -7.368 -5.286 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.658 -6.274 -6.641 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.726 -5.053 -5.798 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -8.421 -5.453 -5.137 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.582 -6.955 -5.592 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.939 -5.726 -6.828 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -11.163 -4.380 -8.110 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.418 -4.616 -7.848 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.365 -5.856 -8.704 1.00 0.50 H new ATOM 951 N LYS A 78 -7.789 -9.624 -7.628 1.00 0.74 N ATOM 952 CA LYS A 78 -6.966 -10.779 -7.280 1.00 0.90 C ATOM 953 C LYS A 78 -5.851 -10.389 -6.319 1.00 0.73 C ATOM 954 O LYS A 78 -5.171 -11.246 -5.752 1.00 0.72 O ATOM 955 CB LYS A 78 -6.371 -11.398 -8.542 1.00 1.16 C ATOM 956 CG LYS A 78 -7.218 -12.519 -9.121 1.00 1.45 C ATOM 957 CD LYS A 78 -7.335 -12.409 -10.633 1.00 1.67 C ATOM 958 CE LYS A 78 -8.652 -11.770 -11.046 1.00 1.72 C ATOM 959 NZ LYS A 78 -8.744 -11.603 -12.520 1.00 1.99 N ATOM 0 H LYS A 78 -7.623 -9.256 -8.565 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.603 -11.511 -6.785 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -6.247 -10.620 -9.295 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.377 -11.784 -8.315 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.778 -13.481 -8.859 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -8.212 -12.492 -8.676 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -6.505 -11.818 -11.021 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -7.255 -13.401 -11.078 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -9.481 -12.386 -10.697 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -8.752 -10.798 -10.563 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -9.655 -11.165 -12.764 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -7.968 -10.994 -12.850 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -8.674 -12.533 -12.980 1.00 1.99 H new ATOM 973 N ASN A 79 -5.663 -9.093 -6.146 1.00 0.67 N ATOM 974 CA ASN A 79 -4.665 -8.589 -5.220 1.00 0.56 C ATOM 975 C ASN A 79 -5.320 -7.692 -4.177 1.00 0.54 C ATOM 976 O ASN A 79 -5.326 -6.468 -4.313 1.00 0.52 O ATOM 977 CB ASN A 79 -3.569 -7.827 -5.970 1.00 0.60 C ATOM 978 CG ASN A 79 -2.343 -8.683 -6.218 1.00 1.09 C ATOM 979 OD1 ASN A 79 -1.795 -9.289 -5.298 1.00 2.05 O ATOM 980 ND2 ASN A 79 -1.906 -8.741 -7.468 1.00 1.28 N ATOM 0 H ASN A 79 -6.189 -8.369 -6.636 1.00 0.67 H new ATOM 0 HA ASN A 79 -4.205 -9.436 -4.712 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -3.962 -7.474 -6.923 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -3.284 -6.945 -5.396 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -1.086 -9.304 -7.696 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -2.389 -8.223 -8.202 1.00 1.28 H new ATOM 987 N PRO A 80 -5.892 -8.299 -3.125 1.00 0.58 N ATOM 988 CA PRO A 80 -6.581 -7.565 -2.060 1.00 0.60 C ATOM 989 C PRO A 80 -5.599 -6.900 -1.094 1.00 0.55 C ATOM 990 O PRO A 80 -5.426 -7.336 0.045 1.00 0.64 O ATOM 991 CB PRO A 80 -7.380 -8.659 -1.356 1.00 0.70 C ATOM 992 CG PRO A 80 -6.600 -9.909 -1.565 1.00 0.89 C ATOM 993 CD PRO A 80 -5.909 -9.758 -2.892 1.00 0.67 C ATOM 0 HA PRO A 80 -7.195 -6.749 -2.442 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -7.496 -8.440 -0.294 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -8.382 -8.746 -1.775 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.876 -10.054 -0.764 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -7.255 -10.781 -1.564 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.900 -10.169 -2.865 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -6.446 -10.282 -3.683 1.00 0.67 H new ATOM 1001 N MET A 81 -4.958 -5.843 -1.563 1.00 0.46 N ATOM 1002 CA MET A 81 -3.925 -5.168 -0.793 1.00 0.43 C ATOM 1003 C MET A 81 -4.397 -3.806 -0.333 1.00 0.43 C ATOM 1004 O MET A 81 -5.260 -3.180 -0.953 1.00 0.55 O ATOM 1005 CB MET A 81 -2.647 -5.036 -1.627 1.00 0.44 C ATOM 1006 CG MET A 81 -2.430 -6.203 -2.576 1.00 0.74 C ATOM 1007 SD MET A 81 -0.983 -7.194 -2.157 1.00 0.82 S ATOM 1008 CE MET A 81 -1.752 -8.528 -1.242 1.00 0.70 C ATOM 0 H MET A 81 -5.136 -5.431 -2.479 1.00 0.46 H new ATOM 0 HA MET A 81 -3.709 -5.768 0.091 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.690 -4.111 -2.202 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.790 -4.956 -0.958 1.00 0.44 H new ATOM 0 HG2 MET A 81 -3.314 -6.840 -2.567 1.00 0.74 H new ATOM 0 HG3 MET A 81 -2.321 -5.823 -3.592 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.985 -9.221 -0.896 1.00 0.70 H new ATOM 0 HE2 MET A 81 -2.286 -8.120 -0.384 1.00 0.70 H new ATOM 0 HE3 MET A 81 -2.453 -9.056 -1.889 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.807 -3.360 0.750 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.213 -2.143 1.419 1.00 0.36 C ATOM 1020 C ASP A 82 -2.974 -1.310 1.744 1.00 0.35 C ATOM 1021 O ASP A 82 -2.136 -1.087 0.877 1.00 0.53 O ATOM 1022 CB ASP A 82 -5.006 -2.492 2.691 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.161 -3.198 3.738 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -3.526 -4.207 3.395 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -4.178 -2.780 4.915 1.00 1.32 O ATOM 0 H ASP A 82 -3.023 -3.835 1.198 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.862 -1.555 0.770 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.417 -1.578 3.119 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.851 -3.127 2.424 1.00 0.38 H new ATOM 1030 N MET A 83 -2.837 -0.876 2.982 1.00 0.27 N ATOM 1031 CA MET A 83 -1.668 -0.129 3.395 1.00 0.26 C ATOM 1032 C MET A 83 -0.963 -0.870 4.518 1.00 0.25 C ATOM 1033 O MET A 83 0.219 -0.649 4.779 1.00 0.26 O ATOM 1034 CB MET A 83 -2.047 1.284 3.839 1.00 0.31 C ATOM 1035 CG MET A 83 -1.172 2.362 3.220 1.00 0.43 C ATOM 1036 SD MET A 83 -0.764 3.685 4.374 1.00 0.80 S ATOM 1037 CE MET A 83 -2.400 4.230 4.855 1.00 0.38 C ATOM 0 H MET A 83 -3.524 -1.029 3.720 1.00 0.27 H new ATOM 0 HA MET A 83 -0.992 -0.038 2.545 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.087 1.474 3.575 1.00 0.31 H new ATOM 0 HB3 MET A 83 -1.977 1.348 4.925 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.250 1.909 2.854 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.683 2.786 2.356 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.414 5.317 4.928 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.125 3.907 4.108 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.658 3.798 5.822 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.688 -1.786 5.150 1.00 0.26 N ATOM 1048 CA GLY A 84 -1.114 -2.584 6.201 1.00 0.29 C ATOM 1049 C GLY A 84 -0.279 -3.677 5.605 1.00 0.26 C ATOM 1050 O GLY A 84 0.766 -4.041 6.138 1.00 0.32 O ATOM 0 H GLY A 84 -2.667 -1.986 4.947 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.502 -1.960 6.852 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.904 -3.012 6.819 1.00 0.29 H new ATOM 1054 N THR A 85 -0.741 -4.188 4.472 1.00 0.24 N ATOM 1055 CA THR A 85 0.015 -5.163 3.719 1.00 0.25 C ATOM 1056 C THR A 85 1.221 -4.509 3.051 1.00 0.26 C ATOM 1057 O THR A 85 2.295 -5.110 2.954 1.00 0.32 O ATOM 1058 CB THR A 85 -0.864 -5.859 2.661 1.00 0.27 C ATOM 1059 OG1 THR A 85 -2.067 -6.341 3.271 1.00 0.95 O ATOM 1060 CG2 THR A 85 -0.128 -7.016 2.002 1.00 0.84 C ATOM 0 H THR A 85 -1.639 -3.939 4.058 1.00 0.24 H new ATOM 0 HA THR A 85 0.367 -5.920 4.420 1.00 0.25 H new ATOM 0 HB THR A 85 -1.107 -5.127 1.891 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.637 -5.582 3.516 1.00 0.95 H new ATOM 0 HG21 THR A 85 -0.776 -7.485 1.261 1.00 0.84 H new ATOM 0 HG22 THR A 85 0.772 -6.643 1.513 1.00 0.84 H new ATOM 0 HG23 THR A 85 0.148 -7.750 2.759 1.00 0.84 H new ATOM 1068 N ILE A 86 1.043 -3.269 2.616 1.00 0.27 N ATOM 1069 CA ILE A 86 2.132 -2.505 2.019 1.00 0.31 C ATOM 1070 C ILE A 86 3.232 -2.300 3.058 1.00 0.29 C ATOM 1071 O ILE A 86 4.393 -2.644 2.832 1.00 0.32 O ATOM 1072 CB ILE A 86 1.654 -1.123 1.491 1.00 0.36 C ATOM 1073 CG1 ILE A 86 0.853 -1.232 0.178 1.00 0.55 C ATOM 1074 CG2 ILE A 86 2.839 -0.193 1.281 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.598 -2.643 -0.313 1.00 0.97 C ATOM 0 H ILE A 86 0.155 -2.770 2.665 1.00 0.27 H new ATOM 0 HA ILE A 86 2.511 -3.071 1.168 1.00 0.31 H new ATOM 0 HB ILE A 86 0.990 -0.715 2.253 1.00 0.36 H new ATOM 0 HG12 ILE A 86 -0.107 -0.734 0.316 1.00 0.55 H new ATOM 0 HG13 ILE A 86 1.387 -0.686 -0.600 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.485 0.769 0.911 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.360 -0.049 2.227 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.522 -0.632 0.554 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.028 -2.608 -1.241 1.00 0.97 H new ATOM 0 HD12 ILE A 86 1.550 -3.144 -0.490 1.00 0.97 H new ATOM 0 HD13 ILE A 86 0.033 -3.193 0.439 1.00 0.97 H new ATOM 1087 N LYS A 87 2.846 -1.777 4.219 1.00 0.29 N ATOM 1088 CA LYS A 87 3.799 -1.522 5.288 1.00 0.34 C ATOM 1089 C LYS A 87 4.386 -2.826 5.824 1.00 0.34 C ATOM 1090 O LYS A 87 5.500 -2.837 6.347 1.00 0.38 O ATOM 1091 CB LYS A 87 3.149 -0.711 6.423 1.00 0.41 C ATOM 1092 CG LYS A 87 2.367 -1.549 7.430 1.00 0.49 C ATOM 1093 CD LYS A 87 2.948 -1.436 8.830 1.00 0.69 C ATOM 1094 CE LYS A 87 2.237 -2.361 9.809 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.148 -2.846 10.878 1.00 1.15 N ATOM 0 H LYS A 87 1.883 -1.523 4.440 1.00 0.29 H new ATOM 0 HA LYS A 87 4.615 -0.931 4.872 1.00 0.34 H new ATOM 0 HB2 LYS A 87 3.928 -0.162 6.953 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.478 0.029 5.986 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.326 -1.226 7.441 1.00 0.49 H new ATOM 0 HG3 LYS A 87 2.373 -2.593 7.117 1.00 0.49 H new ATOM 0 HD2 LYS A 87 4.010 -1.680 8.804 1.00 0.69 H new ATOM 0 HD3 LYS A 87 2.866 -0.406 9.177 1.00 0.69 H new ATOM 0 HE2 LYS A 87 1.396 -1.834 10.260 1.00 1.08 H new ATOM 0 HE3 LYS A 87 1.826 -3.214 9.269 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 3.072 -3.880 10.956 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 4.128 -2.588 10.643 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 2.883 -2.410 11.784 1.00 1.15 H new ATOM 1109 N LYS A 88 3.644 -3.925 5.679 1.00 0.35 N ATOM 1110 CA LYS A 88 4.114 -5.221 6.142 1.00 0.39 C ATOM 1111 C LYS A 88 5.285 -5.699 5.299 1.00 0.41 C ATOM 1112 O LYS A 88 6.331 -6.055 5.831 1.00 0.46 O ATOM 1113 CB LYS A 88 2.989 -6.255 6.108 1.00 0.42 C ATOM 1114 CG LYS A 88 3.265 -7.478 6.967 1.00 0.73 C ATOM 1115 CD LYS A 88 1.980 -8.089 7.498 1.00 1.26 C ATOM 1116 CE LYS A 88 2.267 -9.236 8.455 1.00 1.68 C ATOM 1117 NZ LYS A 88 2.310 -8.780 9.869 1.00 2.46 N ATOM 0 H LYS A 88 2.720 -3.939 5.246 1.00 0.35 H new ATOM 0 HA LYS A 88 4.447 -5.106 7.174 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.064 -5.786 6.444 1.00 0.42 H new ATOM 0 HB3 LYS A 88 2.829 -6.573 5.078 1.00 0.42 H new ATOM 0 HG2 LYS A 88 3.807 -8.220 6.381 1.00 0.73 H new ATOM 0 HG3 LYS A 88 3.908 -7.200 7.802 1.00 0.73 H new ATOM 0 HD2 LYS A 88 1.395 -7.324 8.009 1.00 1.26 H new ATOM 0 HD3 LYS A 88 1.375 -8.450 6.666 1.00 1.26 H new ATOM 0 HE2 LYS A 88 1.500 -10.002 8.344 1.00 1.68 H new ATOM 0 HE3 LYS A 88 3.219 -9.698 8.193 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 2.508 -9.591 10.489 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 3.059 -8.067 9.981 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 1.393 -8.362 10.127 1.00 2.46 H new ATOM 1131 N ARG A 89 5.113 -5.690 3.984 1.00 0.40 N ATOM 1132 CA ARG A 89 6.161 -6.133 3.073 1.00 0.44 C ATOM 1133 C ARG A 89 7.355 -5.188 3.126 1.00 0.43 C ATOM 1134 O ARG A 89 8.493 -5.592 2.883 1.00 0.48 O ATOM 1135 CB ARG A 89 5.621 -6.232 1.652 1.00 0.47 C ATOM 1136 CG ARG A 89 5.294 -7.662 1.250 1.00 0.68 C ATOM 1137 CD ARG A 89 4.255 -7.732 0.147 1.00 0.64 C ATOM 1138 NE ARG A 89 4.649 -6.970 -1.037 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.023 -7.062 -2.211 1.00 0.78 C ATOM 1140 NH1 ARG A 89 3.110 -8.005 -2.409 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.321 -6.224 -3.195 1.00 1.03 N ATOM 0 H ARG A 89 4.257 -5.381 3.523 1.00 0.40 H new ATOM 0 HA ARG A 89 6.495 -7.122 3.387 1.00 0.44 H new ATOM 0 HB2 ARG A 89 4.724 -5.619 1.565 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.355 -5.822 0.959 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.205 -8.160 0.919 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.931 -8.207 2.121 1.00 0.68 H new ATOM 0 HD2 ARG A 89 4.094 -8.773 -0.131 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.305 -7.351 0.522 1.00 0.64 H new ATOM 0 HE ARG A 89 5.444 -6.335 -0.961 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.885 -8.662 -1.662 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.633 -8.072 -3.308 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.031 -5.506 -3.055 1.00 1.03 H new ATOM 0 HH22 ARG A 89 3.840 -6.298 -4.091 1.00 1.03 H new ATOM 1155 N LEU A 90 7.084 -3.928 3.438 1.00 0.40 N ATOM 1156 CA LEU A 90 8.140 -2.944 3.654 1.00 0.41 C ATOM 1157 C LEU A 90 8.956 -3.283 4.899 1.00 0.44 C ATOM 1158 O LEU A 90 10.167 -3.491 4.822 1.00 0.49 O ATOM 1159 CB LEU A 90 7.549 -1.543 3.805 1.00 0.39 C ATOM 1160 CG LEU A 90 7.591 -0.682 2.547 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.724 0.555 2.724 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.024 -0.295 2.209 1.00 0.45 C ATOM 0 H LEU A 90 6.139 -3.561 3.548 1.00 0.40 H new ATOM 0 HA LEU A 90 8.795 -2.967 2.783 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.512 -1.636 4.128 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.085 -1.024 4.600 1.00 0.39 H new ATOM 0 HG LEU A 90 7.194 -1.264 1.715 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.764 1.160 1.818 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.694 0.253 2.914 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.092 1.140 3.567 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.032 0.319 1.308 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.453 0.269 3.037 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.614 -1.196 2.039 1.00 0.45 H new ATOM 1174 N GLU A 91 8.279 -3.359 6.043 1.00 0.45 N ATOM 1175 CA GLU A 91 8.947 -3.591 7.324 1.00 0.50 C ATOM 1176 C GLU A 91 9.534 -4.999 7.399 1.00 0.54 C ATOM 1177 O GLU A 91 10.460 -5.256 8.173 1.00 0.64 O ATOM 1178 CB GLU A 91 7.979 -3.361 8.491 1.00 0.53 C ATOM 1179 CG GLU A 91 6.973 -4.484 8.699 1.00 0.76 C ATOM 1180 CD GLU A 91 5.786 -4.058 9.537 1.00 0.94 C ATOM 1181 OE1 GLU A 91 5.767 -2.902 10.005 1.00 1.23 O ATOM 1182 OE2 GLU A 91 4.857 -4.874 9.734 1.00 1.39 O ATOM 0 H GLU A 91 7.266 -3.263 6.110 1.00 0.45 H new ATOM 0 HA GLU A 91 9.767 -2.876 7.400 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.556 -3.231 9.407 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.438 -2.430 8.321 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.620 -4.835 7.729 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.469 -5.326 9.181 1.00 0.76 H new ATOM 1189 N ASN A 92 8.991 -5.904 6.600 1.00 0.51 N ATOM 1190 CA ASN A 92 9.478 -7.275 6.552 1.00 0.57 C ATOM 1191 C ASN A 92 10.584 -7.418 5.514 1.00 0.60 C ATOM 1192 O ASN A 92 11.215 -8.469 5.418 1.00 0.68 O ATOM 1193 CB ASN A 92 8.333 -8.234 6.226 1.00 0.60 C ATOM 1194 CG ASN A 92 8.412 -9.529 7.005 1.00 0.69 C ATOM 1195 OD1 ASN A 92 8.675 -9.538 8.207 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.172 -10.634 6.324 1.00 1.30 N ATOM 0 H ASN A 92 8.209 -5.713 5.973 1.00 0.51 H new ATOM 0 HA ASN A 92 9.885 -7.526 7.532 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.383 -7.744 6.440 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.344 -8.456 5.159 1.00 0.60 H new ATOM 0 HD21 ASN A 92 8.201 -11.539 6.794 1.00 1.30 H new ATOM 0 HD22 ASN A 92 7.958 -10.583 5.328 1.00 1.30 H new ATOM 1203 N ASN A 93 10.805 -6.349 4.744 1.00 0.58 N ATOM 1204 CA ASN A 93 11.832 -6.321 3.701 1.00 0.62 C ATOM 1205 C ASN A 93 11.616 -7.455 2.699 1.00 0.66 C ATOM 1206 O ASN A 93 12.406 -8.393 2.619 1.00 0.77 O ATOM 1207 CB ASN A 93 13.232 -6.397 4.325 1.00 0.70 C ATOM 1208 CG ASN A 93 14.337 -5.996 3.367 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.338 -6.695 3.238 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.178 -4.854 2.714 1.00 1.22 N ATOM 0 H ASN A 93 10.277 -5.480 4.827 1.00 0.58 H new ATOM 0 HA ASN A 93 11.751 -5.377 3.161 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.267 -5.750 5.201 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.413 -7.414 4.672 1.00 0.70 H new ATOM 0 HD21 ASN A 93 14.903 -4.526 2.076 1.00 1.22 H new ATOM 0 HD22 ASN A 93 13.331 -4.303 2.850 1.00 1.22 H new ATOM 1217 N TYR A 94 10.520 -7.360 1.953 1.00 0.61 N ATOM 1218 CA TYR A 94 10.162 -8.378 0.977 1.00 0.67 C ATOM 1219 C TYR A 94 10.988 -8.249 -0.301 1.00 0.70 C ATOM 1220 O TYR A 94 11.289 -9.245 -0.959 1.00 0.79 O ATOM 1221 CB TYR A 94 8.673 -8.286 0.660 1.00 0.71 C ATOM 1222 CG TYR A 94 8.224 -9.174 -0.477 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.616 -10.502 -0.556 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.408 -8.674 -1.471 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.202 -11.305 -1.598 1.00 0.83 C ATOM 1226 CE2 TYR A 94 6.987 -9.464 -2.520 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.385 -10.778 -2.579 1.00 0.85 C ATOM 1228 OH TYR A 94 6.970 -11.566 -3.630 1.00 0.96 O ATOM 0 H TYR A 94 9.862 -6.583 2.008 1.00 0.61 H new ATOM 0 HA TYR A 94 10.381 -9.354 1.409 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.106 -8.546 1.554 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.428 -7.252 0.417 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.256 -10.914 0.211 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.092 -7.642 -1.427 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.514 -12.338 -1.647 1.00 0.83 H new ATOM 0 HE2 TYR A 94 6.350 -9.053 -3.289 1.00 0.81 H new ATOM 0 HH TYR A 94 6.400 -11.039 -4.229 1.00 0.96 H new ATOM 1238 N TYR A 95 11.353 -7.029 -0.652 1.00 0.77 N ATOM 1239 CA TYR A 95 12.065 -6.792 -1.898 1.00 0.88 C ATOM 1240 C TYR A 95 13.337 -5.996 -1.675 1.00 0.75 C ATOM 1241 O TYR A 95 13.730 -5.709 -0.541 1.00 1.04 O ATOM 1242 CB TYR A 95 11.199 -6.050 -2.930 1.00 1.17 C ATOM 1243 CG TYR A 95 9.831 -5.628 -2.450 1.00 0.95 C ATOM 1244 CD1 TYR A 95 9.670 -4.758 -1.377 1.00 1.05 C ATOM 1245 CD2 TYR A 95 8.696 -6.100 -3.087 1.00 0.92 C ATOM 1246 CE1 TYR A 95 8.415 -4.378 -0.954 1.00 1.09 C ATOM 1247 CE2 TYR A 95 7.442 -5.725 -2.669 1.00 0.96 C ATOM 1248 CZ TYR A 95 7.304 -4.867 -1.604 1.00 1.04 C ATOM 1249 OH TYR A 95 6.048 -4.515 -1.180 1.00 1.28 O ATOM 0 H TYR A 95 11.171 -6.192 -0.098 1.00 0.77 H new ATOM 0 HA TYR A 95 12.315 -7.779 -2.287 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.739 -5.162 -3.260 1.00 1.17 H new ATOM 0 HB3 TYR A 95 11.076 -6.691 -3.803 1.00 1.17 H new ATOM 0 HD1 TYR A 95 10.542 -4.375 -0.868 1.00 1.05 H new ATOM 0 HD2 TYR A 95 8.798 -6.773 -3.925 1.00 0.92 H new ATOM 0 HE1 TYR A 95 8.304 -3.702 -0.119 1.00 1.09 H new ATOM 0 HE2 TYR A 95 6.567 -6.104 -3.176 1.00 0.96 H new ATOM 0 HH TYR A 95 6.070 -3.607 -0.811 1.00 1.28 H new ATOM 1259 N TRP A 96 13.944 -5.622 -2.786 1.00 0.72 N ATOM 1260 CA TRP A 96 15.198 -4.906 -2.797 1.00 0.65 C ATOM 1261 C TRP A 96 14.996 -3.442 -2.432 1.00 0.61 C ATOM 1262 O TRP A 96 15.552 -2.955 -1.448 1.00 0.64 O ATOM 1263 CB TRP A 96 15.820 -5.020 -4.193 1.00 0.68 C ATOM 1264 CG TRP A 96 17.251 -4.611 -4.251 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.770 -3.410 -3.885 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.347 -5.399 -4.715 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.126 -3.413 -4.064 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.506 -4.618 -4.581 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.459 -6.690 -5.226 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.766 -5.088 -4.936 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.710 -7.158 -5.582 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.849 -6.357 -5.435 1.00 1.05 C ATOM 0 H TRP A 96 13.572 -5.811 -3.717 1.00 0.72 H new ATOM 0 HA TRP A 96 15.864 -5.344 -2.054 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.733 -6.051 -4.536 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.248 -4.404 -4.887 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.197 -2.576 -3.508 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.753 -2.639 -3.846 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.585 -7.314 -5.342 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.646 -4.473 -4.821 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.810 -8.157 -5.980 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.813 -6.750 -5.722 1.00 1.05 H new ATOM 1283 N SER A 97 14.194 -2.747 -3.221 1.00 0.60 N ATOM 1284 CA SER A 97 14.057 -1.308 -3.078 1.00 0.56 C ATOM 1285 C SER A 97 12.590 -0.891 -2.971 1.00 0.54 C ATOM 1286 O SER A 97 11.685 -1.672 -3.269 1.00 0.55 O ATOM 1287 CB SER A 97 14.707 -0.628 -4.278 1.00 0.58 C ATOM 1288 OG SER A 97 15.995 -1.155 -4.538 1.00 1.00 O ATOM 0 H SER A 97 13.629 -3.155 -3.966 1.00 0.60 H new ATOM 0 HA SER A 97 14.553 -1.001 -2.157 1.00 0.56 H new ATOM 0 HB2 SER A 97 14.076 -0.757 -5.157 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.782 0.444 -4.094 1.00 0.58 H new ATOM 0 HG SER A 97 16.545 -0.473 -4.976 1.00 1.00 H new ATOM 1294 N ALA A 98 12.359 0.355 -2.559 1.00 0.54 N ATOM 1295 CA ALA A 98 11.004 0.886 -2.427 1.00 0.56 C ATOM 1296 C ALA A 98 10.357 1.100 -3.789 1.00 0.52 C ATOM 1297 O ALA A 98 9.151 1.321 -3.886 1.00 0.53 O ATOM 1298 CB ALA A 98 11.013 2.184 -1.645 1.00 0.66 C ATOM 0 H ALA A 98 13.095 1.016 -2.311 1.00 0.54 H new ATOM 0 HA ALA A 98 10.413 0.150 -1.882 1.00 0.56 H new ATOM 0 HB1 ALA A 98 9.995 2.563 -1.558 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.421 2.006 -0.650 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.630 2.917 -2.164 1.00 0.66 H new ATOM 1304 N SER A 99 11.166 1.034 -4.839 1.00 0.52 N ATOM 1305 CA SER A 99 10.664 1.102 -6.201 1.00 0.54 C ATOM 1306 C SER A 99 9.733 -0.078 -6.471 1.00 0.48 C ATOM 1307 O SER A 99 8.875 -0.029 -7.352 1.00 0.50 O ATOM 1308 CB SER A 99 11.841 1.091 -7.176 1.00 0.62 C ATOM 1309 OG SER A 99 13.075 1.164 -6.474 1.00 0.85 O ATOM 0 H SER A 99 12.179 0.933 -4.770 1.00 0.52 H new ATOM 0 HA SER A 99 10.100 2.024 -6.338 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.813 0.183 -7.778 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.758 1.932 -7.864 1.00 0.62 H new ATOM 0 HG SER A 99 13.260 2.096 -6.233 1.00 0.85 H new ATOM 1315 N GLU A 100 9.910 -1.135 -5.686 1.00 0.46 N ATOM 1316 CA GLU A 100 9.057 -2.305 -5.761 1.00 0.48 C ATOM 1317 C GLU A 100 7.765 -2.069 -4.989 1.00 0.44 C ATOM 1318 O GLU A 100 6.677 -2.362 -5.476 1.00 0.52 O ATOM 1319 CB GLU A 100 9.791 -3.516 -5.188 1.00 0.56 C ATOM 1320 CG GLU A 100 10.617 -4.272 -6.214 1.00 1.03 C ATOM 1321 CD GLU A 100 12.072 -3.849 -6.211 1.00 1.83 C ATOM 1322 OE1 GLU A 100 12.798 -4.201 -5.259 1.00 2.37 O ATOM 1323 OE2 GLU A 100 12.497 -3.151 -7.152 1.00 2.44 O ATOM 0 H GLU A 100 10.647 -1.201 -4.984 1.00 0.46 H new ATOM 0 HA GLU A 100 8.810 -2.494 -6.806 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.445 -3.185 -4.381 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.062 -4.197 -4.749 1.00 0.56 H new ATOM 0 HG2 GLU A 100 10.552 -5.341 -6.012 1.00 1.03 H new ATOM 0 HG3 GLU A 100 10.196 -4.109 -7.206 1.00 1.03 H new ATOM 1330 N CYS A 101 7.894 -1.510 -3.789 1.00 0.41 N ATOM 1331 CA CYS A 101 6.742 -1.289 -2.919 1.00 0.44 C ATOM 1332 C CYS A 101 5.825 -0.203 -3.470 1.00 0.38 C ATOM 1333 O CYS A 101 4.630 -0.184 -3.188 1.00 0.38 O ATOM 1334 CB CYS A 101 7.196 -0.926 -1.506 1.00 0.57 C ATOM 1335 SG CYS A 101 6.061 -1.488 -0.217 1.00 0.95 S ATOM 0 H CYS A 101 8.784 -1.202 -3.397 1.00 0.41 H new ATOM 0 HA CYS A 101 6.177 -2.220 -2.881 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.180 -1.359 -1.327 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.306 0.156 -1.435 1.00 0.57 H new ATOM 0 HG CYS A 101 4.929 -1.832 -0.755 1.00 0.95 H new ATOM 1341 N MET A 102 6.372 0.699 -4.268 1.00 0.39 N ATOM 1342 CA MET A 102 5.558 1.734 -4.884 1.00 0.44 C ATOM 1343 C MET A 102 4.586 1.116 -5.889 1.00 0.36 C ATOM 1344 O MET A 102 3.598 1.739 -6.275 1.00 0.39 O ATOM 1345 CB MET A 102 6.443 2.804 -5.538 1.00 0.58 C ATOM 1346 CG MET A 102 6.755 2.567 -7.009 1.00 0.75 C ATOM 1347 SD MET A 102 8.287 3.372 -7.535 1.00 1.02 S ATOM 1348 CE MET A 102 8.271 4.869 -6.546 1.00 1.13 C ATOM 0 H MET A 102 7.364 0.736 -4.503 1.00 0.39 H new ATOM 0 HA MET A 102 4.970 2.226 -4.109 1.00 0.44 H new ATOM 0 HB2 MET A 102 5.952 3.772 -5.437 1.00 0.58 H new ATOM 0 HB3 MET A 102 7.382 2.864 -4.988 1.00 0.58 H new ATOM 0 HG2 MET A 102 6.831 1.495 -7.192 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.928 2.936 -7.616 1.00 0.75 H new ATOM 0 HE1 MET A 102 9.110 5.503 -6.832 1.00 1.13 H new ATOM 0 HE2 MET A 102 7.337 5.406 -6.714 1.00 1.13 H new ATOM 0 HE3 MET A 102 8.356 4.609 -5.491 1.00 1.13 H new ATOM 1358 N GLN A 103 4.861 -0.123 -6.285 1.00 0.34 N ATOM 1359 CA GLN A 103 3.989 -0.848 -7.196 1.00 0.36 C ATOM 1360 C GLN A 103 2.777 -1.398 -6.454 1.00 0.30 C ATOM 1361 O GLN A 103 1.646 -1.290 -6.932 1.00 0.31 O ATOM 1362 CB GLN A 103 4.750 -1.984 -7.882 1.00 0.43 C ATOM 1363 CG GLN A 103 5.833 -1.500 -8.832 1.00 1.36 C ATOM 1364 CD GLN A 103 6.840 -2.581 -9.175 1.00 2.17 C ATOM 1365 OE1 GLN A 103 6.475 -3.718 -9.468 1.00 2.70 O ATOM 1366 NE2 GLN A 103 8.115 -2.233 -9.138 1.00 2.96 N ATOM 0 H GLN A 103 5.685 -0.645 -5.987 1.00 0.34 H new ATOM 0 HA GLN A 103 3.642 -0.152 -7.960 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.203 -2.619 -7.121 1.00 0.43 H new ATOM 0 HB3 GLN A 103 4.043 -2.603 -8.434 1.00 0.43 H new ATOM 0 HG2 GLN A 103 5.370 -1.137 -9.749 1.00 1.36 H new ATOM 0 HG3 GLN A 103 6.353 -0.655 -8.382 1.00 1.36 H new ATOM 0 HE21 GLN A 103 8.376 -1.279 -8.890 1.00 2.96 H new ATOM 0 HE22 GLN A 103 8.837 -2.919 -9.357 1.00 2.96 H new ATOM 1375 N ASP A 104 3.002 -1.972 -5.276 1.00 0.30 N ATOM 1376 CA ASP A 104 1.898 -2.487 -4.474 1.00 0.32 C ATOM 1377 C ASP A 104 1.145 -1.330 -3.826 1.00 0.29 C ATOM 1378 O ASP A 104 -0.068 -1.406 -3.614 1.00 0.31 O ATOM 1379 CB ASP A 104 2.371 -3.492 -3.415 1.00 0.48 C ATOM 1380 CG ASP A 104 3.710 -3.148 -2.795 1.00 0.88 C ATOM 1381 OD1 ASP A 104 4.751 -3.520 -3.380 1.00 1.09 O ATOM 1382 OD2 ASP A 104 3.729 -2.528 -1.716 1.00 1.87 O ATOM 0 H ASP A 104 3.926 -2.091 -4.860 1.00 0.30 H new ATOM 0 HA ASP A 104 1.224 -3.026 -5.140 1.00 0.32 H new ATOM 0 HB2 ASP A 104 1.621 -3.553 -2.626 1.00 0.48 H new ATOM 0 HB3 ASP A 104 2.436 -4.480 -3.870 1.00 0.48 H new ATOM 1387 N PHE A 105 1.874 -0.261 -3.527 1.00 0.30 N ATOM 1388 CA PHE A 105 1.275 0.998 -3.097 1.00 0.33 C ATOM 1389 C PHE A 105 0.248 1.463 -4.124 1.00 0.32 C ATOM 1390 O PHE A 105 -0.898 1.762 -3.790 1.00 0.38 O ATOM 1391 CB PHE A 105 2.362 2.061 -2.944 1.00 0.38 C ATOM 1392 CG PHE A 105 2.389 2.731 -1.602 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.293 3.444 -1.141 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.521 2.661 -0.806 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.328 4.073 0.087 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.560 3.287 0.424 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.460 3.994 0.869 1.00 0.33 C ATOM 0 H PHE A 105 2.893 -0.242 -3.575 1.00 0.30 H new ATOM 0 HA PHE A 105 0.780 0.846 -2.138 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.333 1.599 -3.126 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.221 2.821 -3.713 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.403 3.508 -1.749 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.383 2.110 -1.152 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.469 4.627 0.435 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.448 3.224 1.036 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.487 4.485 1.830 1.00 0.33 H new ATOM 1407 N ASN A 106 0.679 1.509 -5.381 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.202 1.853 -6.493 1.00 0.34 C ATOM 1409 C ASN A 106 -1.344 0.850 -6.583 1.00 0.32 C ATOM 1410 O ASN A 106 -2.507 1.230 -6.727 1.00 0.38 O ATOM 1411 CB ASN A 106 0.593 1.858 -7.807 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.218 2.310 -9.016 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -1.434 2.114 -9.099 1.00 0.88 O ATOM 1414 ND2 ASN A 106 0.454 2.922 -9.970 1.00 0.97 N ATOM 0 H ASN A 106 1.641 1.311 -5.657 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.616 2.847 -6.322 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.457 2.513 -7.695 1.00 0.36 H new ATOM 0 HB3 ASN A 106 0.976 0.855 -7.993 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.030 3.249 -10.806 1.00 0.97 H new ATOM 0 HD22 ASN A 106 1.459 3.069 -9.872 1.00 0.97 H new ATOM 1421 N THR A 107 -0.994 -0.429 -6.487 1.00 0.29 N ATOM 1422 CA THR A 107 -1.956 -1.516 -6.608 1.00 0.30 C ATOM 1423 C THR A 107 -3.119 -1.357 -5.623 1.00 0.26 C ATOM 1424 O THR A 107 -4.282 -1.518 -5.999 1.00 0.27 O ATOM 1425 CB THR A 107 -1.271 -2.881 -6.392 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.302 -3.105 -7.426 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.285 -4.020 -6.380 1.00 0.39 C ATOM 0 H THR A 107 -0.036 -0.739 -6.323 1.00 0.29 H new ATOM 0 HA THR A 107 -2.360 -1.475 -7.620 1.00 0.30 H new ATOM 0 HB THR A 107 -0.777 -2.860 -5.421 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.436 -2.468 -7.326 1.00 0.43 H new ATOM 0 HG21 THR A 107 -1.767 -4.967 -6.226 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.000 -3.862 -5.573 1.00 0.39 H new ATOM 0 HG23 THR A 107 -2.813 -4.047 -7.333 1.00 0.39 H new ATOM 1435 N MET A 108 -2.804 -1.045 -4.366 1.00 0.26 N ATOM 1436 CA MET A 108 -3.828 -0.785 -3.357 1.00 0.26 C ATOM 1437 C MET A 108 -4.795 0.300 -3.834 1.00 0.24 C ATOM 1438 O MET A 108 -6.016 0.149 -3.728 1.00 0.27 O ATOM 1439 CB MET A 108 -3.170 -0.359 -2.041 1.00 0.32 C ATOM 1440 CG MET A 108 -4.091 0.419 -1.113 1.00 0.62 C ATOM 1441 SD MET A 108 -3.673 2.172 -1.020 1.00 0.88 S ATOM 1442 CE MET A 108 -1.968 2.085 -0.487 1.00 0.83 C ATOM 0 H MET A 108 -1.847 -0.966 -4.023 1.00 0.26 H new ATOM 0 HA MET A 108 -4.393 -1.703 -3.194 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.813 -1.248 -1.521 1.00 0.32 H new ATOM 0 HB3 MET A 108 -2.296 0.252 -2.265 1.00 0.32 H new ATOM 0 HG2 MET A 108 -5.120 0.313 -1.457 1.00 0.62 H new ATOM 0 HG3 MET A 108 -4.043 -0.015 -0.114 1.00 0.62 H new ATOM 0 HE1 MET A 108 -1.712 2.991 0.062 1.00 0.83 H new ATOM 0 HE2 MET A 108 -1.833 1.218 0.160 1.00 0.83 H new ATOM 0 HE3 MET A 108 -1.319 1.993 -1.358 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.236 1.375 -4.378 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.029 2.504 -4.843 1.00 0.23 C ATOM 1454 C PHE A 109 -5.921 2.102 -6.013 1.00 0.23 C ATOM 1455 O PHE A 109 -7.117 2.395 -6.019 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.115 3.664 -5.254 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.753 4.580 -4.120 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.739 5.136 -3.318 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.428 4.886 -3.854 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.408 5.978 -2.274 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -2.092 5.728 -2.812 1.00 0.22 C ATOM 1462 CZ PHE A 109 -3.083 6.275 -2.022 1.00 0.22 C ATOM 0 H PHE A 109 -3.231 1.487 -4.508 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.667 2.828 -4.021 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.201 3.258 -5.687 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.608 4.244 -6.034 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.777 4.908 -3.512 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.649 4.461 -4.469 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -5.184 6.404 -1.656 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -1.055 5.958 -2.616 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.822 6.935 -1.208 1.00 0.22 H new ATOM 1472 N THR A 110 -5.342 1.410 -6.989 1.00 0.22 N ATOM 1473 CA THR A 110 -6.086 0.996 -8.171 1.00 0.26 C ATOM 1474 C THR A 110 -7.190 0.017 -7.796 1.00 0.25 C ATOM 1475 O THR A 110 -8.307 0.102 -8.299 1.00 0.27 O ATOM 1476 CB THR A 110 -5.164 0.343 -9.216 1.00 0.31 C ATOM 1477 OG1 THR A 110 -3.938 -0.083 -8.605 1.00 0.49 O ATOM 1478 CG2 THR A 110 -4.862 1.313 -10.341 1.00 0.66 C ATOM 0 H THR A 110 -4.363 1.125 -6.984 1.00 0.22 H new ATOM 0 HA THR A 110 -6.527 1.893 -8.605 1.00 0.26 H new ATOM 0 HB THR A 110 -5.679 -0.526 -9.627 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.286 0.648 -8.635 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.209 0.833 -11.070 1.00 0.66 H new ATOM 0 HG22 THR A 110 -5.792 1.608 -10.826 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.367 2.196 -9.937 1.00 0.66 H new ATOM 1486 N ASN A 111 -6.857 -0.897 -6.895 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.804 -1.888 -6.385 1.00 0.27 C ATOM 1488 C ASN A 111 -9.076 -1.206 -5.884 1.00 0.26 C ATOM 1489 O ASN A 111 -10.189 -1.619 -6.219 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.138 -2.703 -5.262 1.00 0.33 C ATOM 1491 CG ASN A 111 -8.003 -2.860 -4.023 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -8.962 -3.623 -4.018 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -7.666 -2.138 -2.964 1.00 1.61 N ATOM 0 H ASN A 111 -5.922 -0.975 -6.494 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.086 -2.565 -7.192 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.885 -3.692 -5.645 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -6.202 -2.220 -4.981 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -8.212 -2.206 -2.105 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.860 -1.514 -3.008 1.00 1.61 H new ATOM 1500 N CYS A 112 -8.898 -0.138 -5.118 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.017 0.589 -4.551 1.00 0.30 C ATOM 1502 C CYS A 112 -10.782 1.343 -5.637 1.00 0.31 C ATOM 1503 O CYS A 112 -12.008 1.404 -5.606 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.510 1.545 -3.465 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.008 3.273 -3.672 1.00 0.63 S ATOM 0 H CYS A 112 -7.983 0.243 -4.876 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.710 -0.120 -4.098 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.867 1.193 -2.497 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.421 1.497 -3.440 1.00 0.36 H new ATOM 0 HG CYS A 112 -9.907 3.893 -2.534 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.056 1.889 -6.607 1.00 0.32 N ATOM 1512 CA TYR A 113 -10.671 2.675 -7.674 1.00 0.36 C ATOM 1513 C TYR A 113 -11.454 1.787 -8.638 1.00 0.41 C ATOM 1514 O TYR A 113 -12.467 2.207 -9.195 1.00 0.52 O ATOM 1515 CB TYR A 113 -9.605 3.459 -8.447 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.040 4.644 -7.693 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -9.873 5.482 -6.964 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -7.679 4.924 -7.706 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.368 6.566 -6.273 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.167 6.005 -7.016 1.00 0.65 C ATOM 1521 CZ TYR A 113 -7.991 6.818 -6.313 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.509 7.900 -5.614 1.00 0.81 O ATOM 0 H TYR A 113 -9.042 1.803 -6.677 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.365 3.374 -7.208 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -8.789 2.784 -8.705 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.036 3.811 -9.384 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -10.934 5.283 -6.937 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.011 4.286 -8.265 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -10.026 7.211 -5.709 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.105 6.203 -7.037 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.537 7.956 -5.728 1.00 0.81 H new ATOM 1532 N ILE A 114 -10.980 0.565 -8.835 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.609 -0.359 -9.771 1.00 0.43 C ATOM 1534 C ILE A 114 -12.924 -0.898 -9.219 1.00 0.47 C ATOM 1535 O ILE A 114 -13.979 -0.737 -9.840 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.680 -1.549 -10.104 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.451 -1.069 -10.883 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.427 -2.613 -10.903 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.313 -2.068 -10.898 1.00 0.44 C ATOM 0 H ILE A 114 -10.160 0.189 -8.359 1.00 0.37 H new ATOM 0 HA ILE A 114 -11.805 0.206 -10.682 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.348 -1.992 -9.165 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -9.745 -0.851 -11.910 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.097 -0.135 -10.447 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.753 -3.440 -11.126 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.272 -2.980 -10.320 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -11.790 -2.180 -11.835 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.478 -1.660 -11.467 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -7.992 -2.269 -9.876 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.649 -2.996 -11.361 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.859 -1.533 -8.055 1.00 0.44 N ATOM 1552 CA TYR A 115 -14.024 -2.197 -7.492 1.00 0.51 C ATOM 1553 C TYR A 115 -15.065 -1.186 -7.021 1.00 0.52 C ATOM 1554 O TYR A 115 -16.264 -1.374 -7.237 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.628 -3.114 -6.328 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.812 -3.853 -5.735 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -15.209 -5.086 -6.242 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -15.516 -3.332 -4.656 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -16.269 -5.778 -5.693 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -16.583 -4.017 -4.104 1.00 1.03 C ATOM 1561 CZ TYR A 115 -17.014 -5.179 -4.671 1.00 1.04 C ATOM 1562 OH TYR A 115 -18.003 -5.934 -4.071 1.00 1.22 O ATOM 0 H TYR A 115 -12.015 -1.601 -7.486 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.463 -2.804 -8.284 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.891 -3.838 -6.676 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -13.149 -2.520 -5.550 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -14.677 -5.510 -7.081 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -15.225 -2.378 -4.242 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -16.520 -6.767 -6.047 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -17.075 -3.631 -3.223 1.00 1.03 H new ATOM 0 HH TYR A 115 -17.593 -6.651 -3.543 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.606 -0.119 -6.391 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.513 0.852 -5.788 1.00 0.41 C ATOM 1574 C ASN A 116 -15.952 1.895 -6.806 1.00 0.45 C ATOM 1575 O ASN A 116 -15.394 1.986 -7.899 1.00 0.64 O ATOM 1576 CB ASN A 116 -14.858 1.544 -4.590 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.658 0.616 -3.408 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.620 0.101 -2.835 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.405 0.402 -3.032 1.00 0.88 N ATOM 0 H ASN A 116 -13.616 0.100 -6.282 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.392 0.307 -5.442 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -13.893 1.949 -4.894 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.476 2.388 -4.282 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -13.208 -0.210 -2.240 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.638 0.849 -3.535 1.00 0.88 H new ATOM 1586 N LYS A 117 -16.957 2.676 -6.440 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.470 3.723 -7.308 1.00 0.53 C ATOM 1588 C LYS A 117 -16.512 4.911 -7.332 1.00 0.52 C ATOM 1589 O LYS A 117 -15.855 5.201 -6.334 1.00 0.55 O ATOM 1590 CB LYS A 117 -18.847 4.180 -6.825 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.996 3.674 -7.682 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.701 2.492 -7.033 1.00 1.82 C ATOM 1593 CE LYS A 117 -21.738 2.945 -6.017 1.00 2.62 C ATOM 1594 NZ LYS A 117 -22.891 2.010 -5.943 1.00 3.47 N ATOM 0 H LYS A 117 -17.435 2.603 -5.542 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.560 3.322 -8.317 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -18.993 3.840 -5.800 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -18.872 5.270 -6.806 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.711 4.480 -7.845 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -19.618 3.380 -8.661 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -21.184 1.889 -7.802 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -19.966 1.854 -6.543 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -21.272 3.025 -5.035 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -22.095 3.940 -6.282 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -23.574 2.356 -5.239 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -23.352 1.953 -6.874 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -22.555 1.066 -5.665 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.417 5.617 -8.470 1.00 0.59 N ATOM 1609 CA PRO A 118 -15.571 6.810 -8.588 1.00 0.68 C ATOM 1610 C PRO A 118 -15.987 7.904 -7.608 1.00 0.70 C ATOM 1611 O PRO A 118 -15.202 8.789 -7.276 1.00 0.81 O ATOM 1612 CB PRO A 118 -15.784 7.273 -10.035 1.00 0.79 C ATOM 1613 CG PRO A 118 -17.023 6.588 -10.501 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.107 5.303 -9.733 1.00 0.68 C ATOM 0 HA PRO A 118 -14.528 6.593 -8.355 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -15.893 8.356 -10.087 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -14.931 7.008 -10.660 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -17.901 7.207 -10.320 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -16.982 6.398 -11.574 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.141 5.003 -9.563 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -16.621 4.484 -10.264 1.00 0.68 H new ATOM 1622 N THR A 119 -17.227 7.831 -7.146 1.00 0.67 N ATOM 1623 CA THR A 119 -17.735 8.764 -6.156 1.00 0.77 C ATOM 1624 C THR A 119 -18.085 8.036 -4.860 1.00 0.69 C ATOM 1625 O THR A 119 -19.050 8.384 -4.175 1.00 0.78 O ATOM 1626 CB THR A 119 -18.980 9.498 -6.683 1.00 0.97 C ATOM 1627 OG1 THR A 119 -19.165 9.202 -8.075 1.00 0.98 O ATOM 1628 CG2 THR A 119 -18.847 11.003 -6.489 1.00 1.23 C ATOM 0 H THR A 119 -17.903 7.128 -7.445 1.00 0.67 H new ATOM 0 HA THR A 119 -16.951 9.495 -5.956 1.00 0.77 H new ATOM 0 HB THR A 119 -19.847 9.154 -6.118 1.00 0.97 H new ATOM 0 HG1 THR A 119 -19.960 9.670 -8.406 1.00 0.98 H new ATOM 0 HG21 THR A 119 -19.740 11.499 -6.870 1.00 1.23 H new ATOM 0 HG22 THR A 119 -18.733 11.224 -5.428 1.00 1.23 H new ATOM 0 HG23 THR A 119 -17.973 11.364 -7.031 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.301 7.012 -4.540 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.512 6.231 -3.325 1.00 0.59 C ATOM 1638 C ASP A 120 -16.855 6.908 -2.130 1.00 0.47 C ATOM 1639 O ASP A 120 -16.043 7.819 -2.290 1.00 0.39 O ATOM 1640 CB ASP A 120 -16.959 4.813 -3.490 1.00 0.63 C ATOM 1641 CG ASP A 120 -17.759 3.788 -2.716 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -17.827 3.899 -1.477 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.339 2.877 -3.346 1.00 1.19 O ATOM 0 H ASP A 120 -16.511 6.702 -5.107 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.586 6.170 -3.147 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -16.959 4.547 -4.547 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -15.922 4.789 -3.155 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.193 6.435 -0.940 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.692 7.018 0.300 1.00 0.51 C ATOM 1650 C ASP A 121 -15.192 6.785 0.431 1.00 0.39 C ATOM 1651 O ASP A 121 -14.426 7.716 0.674 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.423 6.416 1.506 1.00 0.70 C ATOM 1653 CG ASP A 121 -17.818 7.458 2.540 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -17.500 8.651 2.352 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.459 7.085 3.549 1.00 1.44 O ATOM 0 H ASP A 121 -17.819 5.641 -0.804 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.879 8.092 0.274 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -18.317 5.897 1.160 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.783 5.669 1.976 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.776 5.537 0.238 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.363 5.178 0.327 1.00 0.27 C ATOM 1662 C ILE A 122 -12.560 5.876 -0.768 1.00 0.25 C ATOM 1663 O ILE A 122 -11.454 6.366 -0.529 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.154 3.643 0.235 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.679 3.305 -0.013 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.030 3.040 -0.858 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -10.908 2.986 1.251 1.00 0.42 C ATOM 0 H ILE A 122 -15.396 4.757 0.019 1.00 0.34 H new ATOM 0 HA ILE A 122 -13.006 5.511 1.302 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.449 3.208 1.190 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.619 2.453 -0.690 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.202 4.146 -0.517 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.866 1.963 -0.903 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.078 3.238 -0.635 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.773 3.487 -1.818 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -9.873 2.757 0.998 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -10.936 3.845 1.921 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.360 2.126 1.745 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.135 5.946 -1.962 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.473 6.581 -3.093 1.00 0.25 C ATOM 1681 C VAL A 123 -12.296 8.075 -2.844 1.00 0.24 C ATOM 1682 O VAL A 123 -11.267 8.661 -3.192 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.256 6.365 -4.405 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -12.872 7.412 -5.439 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.010 4.965 -4.942 1.00 0.32 C ATOM 0 H VAL A 123 -14.060 5.570 -2.172 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.494 6.114 -3.197 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.320 6.472 -4.194 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -13.436 7.241 -6.356 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.100 8.405 -5.053 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -11.805 7.341 -5.650 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.569 4.827 -5.868 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -11.946 4.832 -5.137 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.339 4.230 -4.207 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.303 8.687 -2.233 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.245 10.101 -1.894 1.00 0.31 C ATOM 1697 C LEU A 124 -12.081 10.370 -0.951 1.00 0.29 C ATOM 1698 O LEU A 124 -11.517 11.465 -0.932 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.554 10.546 -1.247 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.398 11.501 -2.090 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.840 11.500 -1.612 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.813 12.902 -2.033 1.00 0.49 C ATOM 0 H LEU A 124 -14.171 8.224 -1.962 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.095 10.671 -2.811 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.149 9.661 -1.021 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.327 11.028 -0.296 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.384 11.161 -3.126 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.427 12.186 -2.224 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.251 10.494 -1.698 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.878 11.819 -0.571 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.421 13.575 -2.637 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.803 13.250 -1.000 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.795 12.887 -2.421 1.00 0.49 H new ATOM 1714 N MET A 125 -11.727 9.361 -0.172 1.00 0.25 N ATOM 1715 CA MET A 125 -10.598 9.464 0.731 1.00 0.26 C ATOM 1716 C MET A 125 -9.297 9.193 -0.007 1.00 0.24 C ATOM 1717 O MET A 125 -8.320 9.924 0.151 1.00 0.25 O ATOM 1718 CB MET A 125 -10.745 8.485 1.896 1.00 0.35 C ATOM 1719 CG MET A 125 -11.849 8.854 2.867 1.00 0.62 C ATOM 1720 SD MET A 125 -12.730 7.416 3.498 1.00 0.54 S ATOM 1721 CE MET A 125 -13.428 8.102 4.994 1.00 0.62 C ATOM 0 H MET A 125 -12.207 8.461 -0.149 1.00 0.25 H new ATOM 0 HA MET A 125 -10.576 10.479 1.126 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.940 7.489 1.499 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.800 8.433 2.437 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.422 9.409 3.703 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.556 9.519 2.371 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.760 7.293 5.645 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.673 8.695 5.509 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.277 8.737 4.741 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.306 8.144 -0.825 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.132 7.739 -1.594 1.00 0.27 C ATOM 1733 C ALA A 126 -7.584 8.889 -2.435 1.00 0.25 C ATOM 1734 O ALA A 126 -6.375 8.999 -2.633 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.473 6.550 -2.480 1.00 0.31 C ATOM 0 H ALA A 126 -10.124 7.553 -0.973 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.354 7.449 -0.888 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.591 6.256 -3.049 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.799 5.716 -1.859 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.273 6.826 -3.167 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.478 9.752 -2.910 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.084 10.909 -3.707 1.00 0.30 C ATOM 1743 C GLN A 127 -7.133 11.814 -2.925 1.00 0.28 C ATOM 1744 O GLN A 127 -6.105 12.251 -3.446 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.318 11.700 -4.138 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.857 11.294 -5.499 1.00 0.86 C ATOM 1747 CD GLN A 127 -11.324 11.632 -5.670 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -11.677 12.635 -6.287 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -12.191 10.798 -5.123 1.00 1.62 N ATOM 0 H GLN A 127 -9.483 9.671 -2.756 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.564 10.547 -4.594 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.102 11.569 -3.392 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.070 12.761 -4.157 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.280 11.793 -6.278 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -9.717 10.222 -5.636 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.859 9.976 -4.619 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -13.192 10.976 -5.205 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.480 12.082 -1.671 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.654 12.920 -0.810 1.00 0.28 C ATOM 1760 C ALA A 128 -5.408 12.163 -0.364 1.00 0.24 C ATOM 1761 O ALA A 128 -4.328 12.739 -0.230 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.453 13.386 0.400 1.00 0.32 C ATOM 0 H ALA A 128 -8.329 11.731 -1.228 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.341 13.796 -1.378 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -6.823 14.011 1.033 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.316 13.962 0.066 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -7.792 12.520 0.968 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.577 10.866 -0.148 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.483 9.989 0.266 1.00 0.17 C ATOM 1770 C LEU A 129 -3.382 9.964 -0.795 1.00 0.17 C ATOM 1771 O LEU A 129 -2.195 10.090 -0.490 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.014 8.567 0.475 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.472 8.200 1.892 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.335 9.298 2.489 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.237 6.887 1.862 1.00 0.33 C ATOM 0 H LEU A 129 -6.473 10.390 -0.254 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.067 10.371 1.198 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.854 8.415 -0.203 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.234 7.866 0.178 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.589 8.088 2.521 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.645 9.011 3.494 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.763 10.225 2.537 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.217 9.447 1.866 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.560 6.631 2.871 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.109 6.989 1.217 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.591 6.098 1.477 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.802 9.814 -2.046 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.886 9.700 -3.175 1.00 0.22 C ATOM 1789 C GLU A 130 -2.044 10.962 -3.353 1.00 0.20 C ATOM 1790 O GLU A 130 -0.947 10.905 -3.907 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.684 9.422 -4.451 1.00 0.34 C ATOM 1792 CG GLU A 130 -2.874 8.777 -5.563 1.00 0.76 C ATOM 1793 CD GLU A 130 -3.439 9.073 -6.937 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -4.417 9.847 -7.035 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -2.912 8.533 -7.932 1.00 1.47 O ATOM 0 H GLU A 130 -4.787 9.768 -2.306 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.203 8.875 -2.974 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.525 8.774 -4.206 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -4.101 10.360 -4.817 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -1.845 9.133 -5.512 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -2.846 7.698 -5.409 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.545 12.089 -2.859 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.869 13.362 -3.028 1.00 0.28 C ATOM 1804 C LYS A 131 -0.520 13.327 -2.334 1.00 0.25 C ATOM 1805 O LYS A 131 0.501 13.648 -2.933 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.723 14.499 -2.465 1.00 0.37 C ATOM 1807 CG LYS A 131 -2.947 15.639 -3.446 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.405 16.066 -3.488 1.00 1.18 C ATOM 1809 CE LYS A 131 -5.151 15.395 -4.632 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.047 16.174 -5.894 1.00 2.24 N ATOM 0 H LYS A 131 -3.420 12.143 -2.337 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.716 13.539 -4.093 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.690 14.099 -2.160 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.244 14.892 -1.568 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -2.327 16.490 -3.163 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -2.629 15.330 -4.442 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -4.886 15.815 -2.542 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -4.465 17.149 -3.599 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -4.750 14.394 -4.789 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -6.201 15.279 -4.362 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -5.568 15.684 -6.649 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -5.453 17.121 -5.752 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -4.047 16.263 -6.166 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.523 12.892 -1.080 1.00 0.28 N ATOM 1825 CA ILE A 132 0.705 12.800 -0.303 1.00 0.33 C ATOM 1826 C ILE A 132 1.601 11.697 -0.851 1.00 0.26 C ATOM 1827 O ILE A 132 2.828 11.780 -0.760 1.00 0.29 O ATOM 1828 CB ILE A 132 0.439 12.525 1.196 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.062 12.487 1.496 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.126 13.581 2.050 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.387 12.094 2.921 1.00 0.59 C ATOM 0 H ILE A 132 -1.362 12.598 -0.580 1.00 0.28 H new ATOM 0 HA ILE A 132 1.198 13.768 -0.390 1.00 0.33 H new ATOM 0 HB ILE A 132 0.852 11.546 1.441 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -1.489 13.469 1.293 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.542 11.783 0.816 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.933 13.379 3.104 1.00 1.23 H new ATOM 0 HG22 ILE A 132 2.200 13.555 1.866 1.00 1.23 H new ATOM 0 HG23 ILE A 132 0.738 14.566 1.792 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.468 12.089 3.059 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -0.990 11.099 3.124 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -0.937 12.811 3.608 1.00 0.59 H new ATOM 1843 N PHE A 133 0.978 10.670 -1.422 1.00 0.25 N ATOM 1844 CA PHE A 133 1.711 9.544 -1.984 1.00 0.28 C ATOM 1845 C PHE A 133 2.619 9.997 -3.124 1.00 0.26 C ATOM 1846 O PHE A 133 3.840 9.914 -3.016 1.00 0.28 O ATOM 1847 CB PHE A 133 0.739 8.468 -2.481 1.00 0.34 C ATOM 1848 CG PHE A 133 1.420 7.375 -3.252 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.412 6.614 -2.657 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.084 7.121 -4.571 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.060 5.625 -3.365 1.00 0.39 C ATOM 1852 CE2 PHE A 133 1.725 6.128 -5.282 1.00 0.46 C ATOM 1853 CZ PHE A 133 2.716 5.380 -4.675 1.00 0.44 C ATOM 0 H PHE A 133 -0.036 10.596 -1.507 1.00 0.25 H new ATOM 0 HA PHE A 133 2.335 9.121 -1.196 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.219 8.033 -1.627 1.00 0.34 H new ATOM 0 HB3 PHE A 133 -0.018 8.933 -3.112 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.681 6.797 -1.627 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.312 7.706 -5.048 1.00 0.42 H new ATOM 0 HE1 PHE A 133 3.837 5.043 -2.892 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.453 5.936 -6.309 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.221 4.603 -5.229 1.00 0.44 H new ATOM 1863 N LEU A 134 2.026 10.520 -4.195 1.00 0.27 N ATOM 1864 CA LEU A 134 2.797 10.899 -5.374 1.00 0.34 C ATOM 1865 C LEU A 134 3.719 12.066 -5.056 1.00 0.34 C ATOM 1866 O LEU A 134 4.803 12.191 -5.633 1.00 0.43 O ATOM 1867 CB LEU A 134 1.872 11.253 -6.549 1.00 0.42 C ATOM 1868 CG LEU A 134 0.781 12.287 -6.257 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.196 13.662 -6.762 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.532 11.865 -6.898 1.00 0.59 C ATOM 0 H LEU A 134 1.023 10.689 -4.270 1.00 0.27 H new ATOM 0 HA LEU A 134 3.405 10.043 -5.667 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.486 11.624 -7.370 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.393 10.338 -6.897 1.00 0.42 H new ATOM 0 HG LEU A 134 0.642 12.344 -5.177 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.407 14.383 -6.545 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.116 13.970 -6.265 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.362 13.619 -7.838 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.298 12.610 -6.682 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.400 11.782 -7.977 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.840 10.900 -6.495 1.00 0.59 H new ATOM 1882 N GLN A 135 3.288 12.898 -4.119 1.00 0.29 N ATOM 1883 CA GLN A 135 4.046 14.066 -3.707 1.00 0.35 C ATOM 1884 C GLN A 135 5.380 13.666 -3.081 1.00 0.36 C ATOM 1885 O GLN A 135 6.430 14.187 -3.453 1.00 0.55 O ATOM 1886 CB GLN A 135 3.224 14.890 -2.716 1.00 0.37 C ATOM 1887 CG GLN A 135 2.773 16.230 -3.277 1.00 0.51 C ATOM 1888 CD GLN A 135 1.543 16.773 -2.581 1.00 1.06 C ATOM 1889 OE1 GLN A 135 1.542 16.988 -1.370 1.00 1.43 O ATOM 1890 NE2 GLN A 135 0.486 17.003 -3.346 1.00 1.61 N ATOM 0 H GLN A 135 2.404 12.781 -3.625 1.00 0.29 H new ATOM 0 HA GLN A 135 4.258 14.668 -4.591 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.347 14.316 -2.416 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.816 15.061 -1.817 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.586 16.950 -3.183 1.00 0.51 H new ATOM 0 HG3 GLN A 135 2.565 16.122 -4.341 1.00 0.51 H new ATOM 0 HE21 GLN A 135 0.529 16.811 -4.347 1.00 1.61 H new ATOM 0 HE22 GLN A 135 -0.371 17.372 -2.934 1.00 1.61 H new ATOM 1899 N LYS A 136 5.335 12.725 -2.149 1.00 0.25 N ATOM 1900 CA LYS A 136 6.536 12.303 -1.442 1.00 0.26 C ATOM 1901 C LYS A 136 7.347 11.309 -2.271 1.00 0.23 C ATOM 1902 O LYS A 136 8.511 11.045 -1.976 1.00 0.25 O ATOM 1903 CB LYS A 136 6.169 11.700 -0.087 1.00 0.32 C ATOM 1904 CG LYS A 136 6.272 12.699 1.055 1.00 0.54 C ATOM 1905 CD LYS A 136 5.158 12.521 2.078 1.00 0.50 C ATOM 1906 CE LYS A 136 5.240 13.576 3.171 1.00 0.63 C ATOM 1907 NZ LYS A 136 6.061 13.122 4.324 1.00 1.52 N ATOM 0 H LYS A 136 4.483 12.241 -1.865 1.00 0.25 H new ATOM 0 HA LYS A 136 7.158 13.183 -1.277 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.152 11.311 -0.132 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.825 10.854 0.118 1.00 0.32 H new ATOM 0 HG2 LYS A 136 7.237 12.586 1.548 1.00 0.54 H new ATOM 0 HG3 LYS A 136 6.236 13.712 0.654 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.190 12.584 1.580 1.00 0.50 H new ATOM 0 HD3 LYS A 136 5.224 11.528 2.522 1.00 0.50 H new ATOM 0 HE2 LYS A 136 5.667 14.491 2.760 1.00 0.63 H new ATOM 0 HE3 LYS A 136 4.235 13.820 3.515 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.526 13.942 4.763 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 5.449 12.655 5.024 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 6.783 12.451 3.993 1.00 1.52 H new ATOM 1921 N VAL A 137 6.730 10.776 -3.315 1.00 0.23 N ATOM 1922 CA VAL A 137 7.399 9.848 -4.213 1.00 0.25 C ATOM 1923 C VAL A 137 8.219 10.620 -5.239 1.00 0.30 C ATOM 1924 O VAL A 137 9.306 10.200 -5.627 1.00 0.33 O ATOM 1925 CB VAL A 137 6.386 8.926 -4.929 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.019 8.220 -6.119 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.815 7.916 -3.949 1.00 0.33 C ATOM 0 H VAL A 137 5.760 10.973 -3.562 1.00 0.23 H new ATOM 0 HA VAL A 137 8.061 9.219 -3.618 1.00 0.25 H new ATOM 0 HB VAL A 137 5.575 9.547 -5.310 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.278 7.580 -6.599 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.376 8.961 -6.834 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.857 7.612 -5.778 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.103 7.272 -4.464 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.623 7.309 -3.540 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.309 8.441 -3.139 1.00 0.33 H new ATOM 1937 N ALA A 138 7.706 11.774 -5.648 1.00 0.34 N ATOM 1938 CA ALA A 138 8.410 12.622 -6.600 1.00 0.43 C ATOM 1939 C ALA A 138 9.690 13.169 -5.980 1.00 0.43 C ATOM 1940 O ALA A 138 10.609 13.594 -6.683 1.00 0.50 O ATOM 1941 CB ALA A 138 7.511 13.760 -7.060 1.00 0.50 C ATOM 0 H ALA A 138 6.808 12.143 -5.336 1.00 0.34 H new ATOM 0 HA ALA A 138 8.678 12.021 -7.469 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.051 14.385 -7.771 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.622 13.350 -7.539 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.216 14.361 -6.200 1.00 0.50 H new ATOM 1947 N GLN A 139 9.751 13.144 -4.655 1.00 0.39 N ATOM 1948 CA GLN A 139 10.908 13.647 -3.937 1.00 0.43 C ATOM 1949 C GLN A 139 11.823 12.508 -3.500 1.00 0.40 C ATOM 1950 O GLN A 139 12.731 12.709 -2.691 1.00 0.45 O ATOM 1951 CB GLN A 139 10.465 14.459 -2.722 1.00 0.45 C ATOM 1952 CG GLN A 139 9.441 15.529 -3.051 1.00 0.54 C ATOM 1953 CD GLN A 139 9.965 16.930 -2.816 1.00 1.08 C ATOM 1954 OE1 GLN A 139 9.620 17.579 -1.830 1.00 1.76 O ATOM 1955 NE2 GLN A 139 10.801 17.408 -3.724 1.00 1.56 N ATOM 0 H GLN A 139 9.009 12.779 -4.057 1.00 0.39 H new ATOM 0 HA GLN A 139 11.468 14.293 -4.613 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.046 13.783 -1.976 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.339 14.930 -2.271 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.138 15.429 -4.093 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.549 15.372 -2.444 1.00 0.54 H new ATOM 0 HE21 GLN A 139 11.062 16.837 -4.528 1.00 1.56 H new ATOM 0 HE22 GLN A 139 11.184 18.347 -3.620 1.00 1.56 H new ATOM 1964 N MET A 140 11.557 11.310 -4.012 1.00 0.35 N ATOM 1965 CA MET A 140 12.418 10.151 -3.759 1.00 0.35 C ATOM 1966 C MET A 140 13.831 10.390 -4.291 1.00 0.40 C ATOM 1967 O MET A 140 14.023 11.147 -5.247 1.00 0.48 O ATOM 1968 CB MET A 140 11.836 8.896 -4.412 1.00 0.38 C ATOM 1969 CG MET A 140 10.714 8.262 -3.612 1.00 0.66 C ATOM 1970 SD MET A 140 11.215 6.728 -2.811 1.00 0.86 S ATOM 1971 CE MET A 140 9.893 5.643 -3.330 1.00 0.67 C ATOM 0 H MET A 140 10.752 11.113 -4.606 1.00 0.35 H new ATOM 0 HA MET A 140 12.468 10.007 -2.680 1.00 0.35 H new ATOM 0 HB2 MET A 140 11.464 9.152 -5.404 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.632 8.164 -4.548 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.369 8.967 -2.855 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.869 8.064 -4.272 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.798 4.820 -2.621 1.00 0.67 H new ATOM 0 HE2 MET A 140 8.957 6.201 -3.366 1.00 0.67 H new ATOM 0 HE3 MET A 140 10.116 5.245 -4.320 1.00 0.67 H new ATOM 1981 N PRO A 141 14.840 9.749 -3.679 1.00 0.42 N ATOM 1982 CA PRO A 141 16.231 9.887 -4.109 1.00 0.52 C ATOM 1983 C PRO A 141 16.477 9.243 -5.471 1.00 0.61 C ATOM 1984 O PRO A 141 16.271 8.042 -5.644 1.00 0.67 O ATOM 1985 CB PRO A 141 17.020 9.160 -3.016 1.00 0.55 C ATOM 1986 CG PRO A 141 16.059 8.194 -2.419 1.00 0.53 C ATOM 1987 CD PRO A 141 14.707 8.845 -2.517 1.00 0.46 C ATOM 0 HA PRO A 141 16.520 10.931 -4.231 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.887 8.647 -3.431 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.392 9.859 -2.267 1.00 0.55 H new ATOM 0 HG2 PRO A 141 16.075 7.245 -2.955 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.315 7.979 -1.382 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.918 8.109 -2.670 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.459 9.394 -1.608 1.00 0.46 H new ATOM 1995 N GLN A 142 16.939 10.042 -6.425 1.00 0.76 N ATOM 1996 CA GLN A 142 17.147 9.583 -7.801 1.00 0.94 C ATOM 1997 C GLN A 142 18.348 8.645 -7.918 1.00 0.93 C ATOM 1998 O GLN A 142 18.683 8.178 -9.008 1.00 1.17 O ATOM 1999 CB GLN A 142 17.361 10.784 -8.723 1.00 1.21 C ATOM 2000 CG GLN A 142 16.364 10.863 -9.866 1.00 1.60 C ATOM 2001 CD GLN A 142 15.977 12.289 -10.190 1.00 2.34 C ATOM 2002 OE1 GLN A 142 16.613 12.950 -11.013 1.00 2.87 O ATOM 2003 NE2 GLN A 142 14.933 12.773 -9.541 1.00 2.91 N ATOM 0 H GLN A 142 17.180 11.021 -6.273 1.00 0.76 H new ATOM 0 HA GLN A 142 16.255 9.031 -8.096 1.00 0.94 H new ATOM 0 HB2 GLN A 142 17.298 11.699 -8.134 1.00 1.21 H new ATOM 0 HB3 GLN A 142 18.369 10.739 -9.135 1.00 1.21 H new ATOM 0 HG2 GLN A 142 16.792 10.394 -10.752 1.00 1.60 H new ATOM 0 HG3 GLN A 142 15.470 10.296 -9.606 1.00 1.60 H new ATOM 0 HE21 GLN A 142 14.436 12.190 -8.868 1.00 2.91 H new ATOM 0 HE22 GLN A 142 14.624 13.730 -9.713 1.00 2.91 H new ATOM 2012 N GLU A 143 18.980 8.359 -6.796 1.00 0.80 N ATOM 2013 CA GLU A 143 20.228 7.633 -6.783 1.00 0.91 C ATOM 2014 C GLU A 143 20.014 6.150 -6.500 1.00 0.87 C ATOM 2015 O GLU A 143 20.651 5.300 -7.123 1.00 1.20 O ATOM 2016 CB GLU A 143 21.128 8.234 -5.715 1.00 1.04 C ATOM 2017 CG GLU A 143 21.076 9.750 -5.663 1.00 1.22 C ATOM 2018 CD GLU A 143 21.023 10.269 -4.243 1.00 1.94 C ATOM 2019 OE1 GLU A 143 19.946 10.175 -3.622 1.00 2.70 O ATOM 2020 OE2 GLU A 143 22.056 10.755 -3.735 1.00 2.30 O ATOM 0 H GLU A 143 18.641 8.624 -5.871 1.00 0.80 H new ATOM 0 HA GLU A 143 20.690 7.716 -7.767 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.841 7.835 -4.742 1.00 1.04 H new ATOM 0 HB3 GLU A 143 22.156 7.920 -5.898 1.00 1.04 H new ATOM 0 HG2 GLU A 143 21.952 10.160 -6.166 1.00 1.22 H new ATOM 0 HG3 GLU A 143 20.201 10.101 -6.210 1.00 1.22 H new ATOM 2027 N GLU A 144 19.117 5.858 -5.559 1.00 0.77 N ATOM 2028 CA GLU A 144 18.871 4.484 -5.109 1.00 0.77 C ATOM 2029 C GLU A 144 20.150 3.890 -4.523 1.00 0.82 C ATOM 2030 O GLU A 144 20.726 2.944 -5.068 1.00 1.16 O ATOM 2031 CB GLU A 144 18.353 3.604 -6.256 1.00 0.82 C ATOM 2032 CG GLU A 144 17.220 2.668 -5.855 1.00 1.04 C ATOM 2033 CD GLU A 144 17.563 1.799 -4.657 1.00 1.58 C ATOM 2034 OE1 GLU A 144 17.450 2.283 -3.511 1.00 2.34 O ATOM 2035 OE2 GLU A 144 17.955 0.632 -4.858 1.00 1.87 O ATOM 0 H GLU A 144 18.544 6.559 -5.089 1.00 0.77 H new ATOM 0 HA GLU A 144 18.102 4.513 -4.337 1.00 0.77 H new ATOM 0 HB2 GLU A 144 18.010 4.247 -7.067 1.00 0.82 H new ATOM 0 HB3 GLU A 144 19.180 3.011 -6.647 1.00 0.82 H new ATOM 0 HG2 GLU A 144 16.332 3.258 -5.626 1.00 1.04 H new ATOM 0 HG3 GLU A 144 16.968 2.028 -6.701 1.00 1.04 H new ATOM 2042 N VAL A 145 20.589 4.457 -3.414 1.00 0.63 N ATOM 2043 CA VAL A 145 21.822 4.030 -2.776 1.00 0.68 C ATOM 2044 C VAL A 145 21.521 3.076 -1.634 1.00 0.61 C ATOM 2045 O VAL A 145 20.693 3.377 -0.773 1.00 0.61 O ATOM 2046 CB VAL A 145 22.627 5.228 -2.230 1.00 0.78 C ATOM 2047 CG1 VAL A 145 24.013 4.786 -1.790 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.726 6.330 -3.274 1.00 0.88 C ATOM 0 H VAL A 145 20.108 5.218 -2.934 1.00 0.63 H new ATOM 0 HA VAL A 145 22.420 3.527 -3.535 1.00 0.68 H new ATOM 0 HB VAL A 145 22.100 5.624 -1.362 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.565 5.645 -1.408 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.923 4.035 -1.006 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.546 4.361 -2.640 1.00 0.99 H new ATOM 0 HG21 VAL A 145 23.297 7.165 -2.869 1.00 0.88 H new ATOM 0 HG22 VAL A 145 23.226 5.945 -4.163 1.00 0.88 H new ATOM 0 HG23 VAL A 145 21.725 6.670 -3.540 1.00 0.88 H new ATOM 2058 N GLU A 146 22.166 1.921 -1.638 1.00 0.66 N ATOM 2059 CA GLU A 146 22.020 0.981 -0.544 1.00 0.68 C ATOM 2060 C GLU A 146 22.723 1.516 0.696 1.00 0.72 C ATOM 2061 O GLU A 146 23.814 2.077 0.599 1.00 0.75 O ATOM 2062 CB GLU A 146 22.586 -0.382 -0.924 1.00 0.79 C ATOM 2063 CG GLU A 146 21.876 -1.533 -0.236 1.00 1.00 C ATOM 2064 CD GLU A 146 22.584 -2.855 -0.430 1.00 1.10 C ATOM 2065 OE1 GLU A 146 22.635 -3.347 -1.576 1.00 1.24 O ATOM 2066 OE2 GLU A 146 23.090 -3.410 0.563 1.00 1.53 O ATOM 0 H GLU A 146 22.792 1.615 -2.383 1.00 0.66 H new ATOM 0 HA GLU A 146 20.958 0.861 -0.329 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.513 -0.511 -2.004 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.646 -0.413 -0.670 1.00 0.79 H new ATOM 0 HG2 GLU A 146 21.797 -1.321 0.830 1.00 1.00 H new ATOM 0 HG3 GLU A 146 20.859 -1.610 -0.622 1.00 1.00 H new ATOM 2073 N LEU A 147 22.101 1.356 1.852 1.00 0.76 N ATOM 2074 CA LEU A 147 22.649 1.904 3.079 1.00 0.86 C ATOM 2075 C LEU A 147 23.627 0.926 3.709 1.00 1.01 C ATOM 2076 O LEU A 147 24.632 1.383 4.289 1.00 1.57 O ATOM 2077 CB LEU A 147 21.530 2.236 4.064 1.00 0.86 C ATOM 2078 CG LEU A 147 20.545 3.301 3.587 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.277 3.266 4.425 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.185 4.680 3.634 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.388 -0.297 3.619 1.00 1.46 O ATOM 0 H LEU A 147 21.221 0.854 1.966 1.00 0.76 H new ATOM 0 HA LEU A 147 23.182 2.823 2.834 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.977 1.323 4.283 1.00 0.86 H new ATOM 0 HB3 LEU A 147 21.978 2.570 5.000 1.00 0.86 H new ATOM 0 HG LEU A 147 20.277 3.086 2.553 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.586 4.031 4.072 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.809 2.286 4.336 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.526 3.456 5.469 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.468 5.426 3.291 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.484 4.908 4.657 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.063 4.696 2.988 1.00 0.82 H new