USER MOD reduce.3.24.130724 H: found=0, std=0, add=1100, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1102 hydrogens (28 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 NoAdj-H: B 312 ALY H2 : B 312 ALY N : B 311 GLY C :(H bumps) USER MOD NoAdj-H: B 312 ALY H : B 312 ALY N : B 311 GLY C :(H bumps) USER MOD NoAdj-H: B 315 ALY H2 : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD NoAdj-H: B 315 ALY H : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD Set 1.1: A 42 MET CE :methyl -118:sc= -0.42 (180deg=-1.81!) USER MOD Set 1.2: A 95 TYR OH : rot 64:sc= 0.574 USER MOD Set 1.3: A 101 CYS SG : rot -13:sc= -0.223 USER MOD Set 1.4: A 102 MET CE :methyl -174:sc= -0.393 (180deg=-0.542) USER MOD Set 1.5: A 140 MET CE :methyl -173:sc= -0.442 (180deg=-0.0835) USER MOD Set 2.1: A 31 LYS NZ :NH3+ -144:sc= 1.16 (180deg=-0.0867) USER MOD Set 2.2: A 94 TYR OH : rot 55:sc= 2.27 USER MOD Set 3.1: A 27 SER OG : rot 42:sc= 1.01 USER MOD Set 3.2: A 92 ASN : amide:sc= 0.477 X(o=1.5,f=1) USER MOD Set 4.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 81 MET CE :methyl 174:sc= -0.0785 (180deg=-0.131) USER MOD Set 5.1: A 35 LYS NZ :NH3+ 174:sc= 0.481 (180deg=0) USER MOD Set 5.2: A 40 GLN : amide:sc= 0.353 X(o=0.12,f=-0.37) USER MOD Set 5.3: A 43 GLN : amide:sc= -0.714 K(o=0.12,f=0.77) USER MOD Set 6.1: A 36 THR OG1 : rot 168:sc= 1.5 USER MOD Set 6.2: A 38 GLN : amide:sc= 1.92 K(o=5.3,f=1.7) USER MOD Set 6.3: A 97 SER OG : rot 115:sc= 0.834 USER MOD Set 6.4: A 99 SER OG : rot -60:sc= 1.04 USER MOD Single : A 28 ASN : amide:sc= 1.29 K(o=1.3,f=-6.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.909 K(o=-0.91,f=-0.21) USER MOD Single : A 41 TYR OH : rot -9:sc= 0.506 USER MOD Single : A 44 ASN : amide:sc= 0.0592 X(o=0.059,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 86:sc= 1.04 USER MOD Single : A 52 LYS NZ :NH3+ 166:sc= -0.13 (180deg=-0.482) USER MOD Single : A 53 HIS : no HD1:sc= -0.44 K(o=-0.44,f=-4!) USER MOD Single : A 54 GLN : amide:sc= -0.79 K(o=-0.79,f=-0.26) USER MOD Single : A 60 TYR OH : rot -36:sc= 1.3 USER MOD Single : A 61 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.0082) USER MOD Single : A 73 TYR OH : rot 19:sc= -0.902 USER MOD Single : A 74 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-2.7!) 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 X(o=0,f=-0.17) USER MOD Single : A 83 MET CE :methyl -137:sc= -0.063 (180deg=-3.38!) USER MOD Single : A 85 THR OG1 : rot -160:sc= 0.445 USER MOD Single : A 87 LYS NZ :NH3+ -109:sc= 0.89 (180deg=-1.48!) USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.17) USER MOD Single : A 93 ASN : amide:sc= 0.569 X(o=0.57,f=0.81) USER MOD Single : A 103 GLN : amide:sc= -0.0107 K(o=-0.011,f=-0.98) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 107 THR OG1 : rot 62:sc= 1.12 USER MOD Single : A 108 MET CE :methyl 148:sc= -0.0215 (180deg=-0.0299) USER MOD Single : A 110 THR OG1 : rot -84:sc= 1.15 USER MOD Single : A 111 ASN : amide:sc= 0.973 K(o=0.97,f=-1.7) USER MOD Single : A 112 CYS SG : rot -130:sc= -0.0704 USER MOD Single : A 113 TYR OH : rot 180:sc= -0.0289 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.0613 K(o=-0.061,f=-2.7!) 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 -156:sc= -1.05! (180deg=-2.89!) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ -103:sc= 2.41 (180deg=-0.966) USER MOD Single : A 135 GLN : amide:sc= -0.106 K(o=-0.11,f=-2!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 GLN : amide:sc= 0.653 K(o=0.65,f=-1.3!) USER MOD Single : A 142 GLN : amide:sc= -0.0074 X(o=-0.0074,f=-0.15) USER MOD Single : B 314 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 316 LYS NZ :NH3+ 164:sc= 1.2 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 21 1.390 -14.713 8.196 1.00 5.93 N ATOM 2 CA PRO A 21 0.532 -14.017 7.215 1.00 5.16 C ATOM 3 C PRO A 21 0.026 -15.003 6.178 1.00 4.32 C ATOM 4 O PRO A 21 0.320 -16.196 6.256 1.00 4.31 O ATOM 5 CB PRO A 21 1.339 -12.915 6.547 1.00 4.92 C ATOM 6 CG PRO A 21 2.733 -13.185 6.978 1.00 5.41 C ATOM 7 CD PRO A 21 2.634 -13.925 8.292 1.00 6.18 C ATOM 0 HA PRO A 21 -0.328 -13.579 7.722 1.00 5.16 H new ATOM 0 HB2 PRO A 21 1.242 -12.950 5.462 1.00 4.92 H new ATOM 0 HB3 PRO A 21 1.006 -11.927 6.865 1.00 4.92 H new ATOM 0 HG2 PRO A 21 3.261 -13.782 6.234 1.00 5.41 H new ATOM 0 HG3 PRO A 21 3.291 -12.256 7.096 1.00 5.41 H new ATOM 0 HD2 PRO A 21 3.499 -14.570 8.447 1.00 6.18 H new ATOM 0 HD3 PRO A 21 2.598 -13.232 9.133 1.00 6.18 H new ATOM 16 N LEU A 22 -0.734 -14.504 5.215 1.00 4.14 N ATOM 17 CA LEU A 22 -1.245 -15.331 4.137 1.00 3.85 C ATOM 18 C LEU A 22 -1.401 -14.496 2.874 1.00 3.48 C ATOM 19 O LEU A 22 -1.078 -13.307 2.868 1.00 4.01 O ATOM 20 CB LEU A 22 -2.586 -15.961 4.530 1.00 4.67 C ATOM 21 CG LEU A 22 -2.499 -17.400 5.044 1.00 5.12 C ATOM 22 CD1 LEU A 22 -3.890 -17.961 5.296 1.00 5.71 C ATOM 23 CD2 LEU A 22 -1.739 -18.277 4.060 1.00 5.61 C ATOM 0 H LEU A 22 -1.011 -13.524 5.160 1.00 4.14 H new ATOM 0 HA LEU A 22 -0.534 -16.135 3.945 1.00 3.85 H new ATOM 0 HB2 LEU A 22 -3.049 -15.344 5.300 1.00 4.67 H new ATOM 0 HB3 LEU A 22 -3.248 -15.940 3.664 1.00 4.67 H new ATOM 0 HG LEU A 22 -1.954 -17.394 5.988 1.00 5.12 H new ATOM 0 HD11 LEU A 22 -3.809 -18.985 5.661 1.00 5.71 H new ATOM 0 HD12 LEU A 22 -4.399 -17.350 6.041 1.00 5.71 H new ATOM 0 HD13 LEU A 22 -4.460 -17.951 4.367 1.00 5.71 H new ATOM 0 HD21 LEU A 22 -1.689 -19.296 4.444 1.00 5.61 H new ATOM 0 HD22 LEU A 22 -2.254 -18.277 3.099 1.00 5.61 H new ATOM 0 HD23 LEU A 22 -0.729 -17.888 3.930 1.00 5.61 H new ATOM 35 N GLY A 23 -1.885 -15.118 1.809 1.00 3.17 N ATOM 36 CA GLY A 23 -2.071 -14.411 0.558 1.00 3.45 C ATOM 37 C GLY A 23 -0.794 -14.325 -0.251 1.00 2.96 C ATOM 38 O GLY A 23 -0.645 -15.013 -1.261 1.00 3.32 O ATOM 0 H GLY A 23 -2.153 -16.102 1.789 1.00 3.17 H new ATOM 0 HA2 GLY A 23 -2.838 -14.915 -0.031 1.00 3.45 H new ATOM 0 HA3 GLY A 23 -2.437 -13.405 0.763 1.00 3.45 H new ATOM 42 N SER A 24 0.127 -13.489 0.195 1.00 2.37 N ATOM 43 CA SER A 24 1.385 -13.294 -0.498 1.00 1.94 C ATOM 44 C SER A 24 2.561 -13.548 0.435 1.00 1.65 C ATOM 45 O SER A 24 2.377 -13.853 1.618 1.00 1.75 O ATOM 46 CB SER A 24 1.443 -11.876 -1.055 1.00 2.01 C ATOM 47 OG SER A 24 1.793 -10.936 -0.051 1.00 2.44 O ATOM 0 H SER A 24 0.024 -12.930 1.042 1.00 2.37 H new ATOM 0 HA SER A 24 1.450 -14.007 -1.320 1.00 1.94 H new ATOM 0 HB2 SER A 24 2.171 -11.832 -1.865 1.00 2.01 H new ATOM 0 HB3 SER A 24 0.475 -11.612 -1.481 1.00 2.01 H new ATOM 0 HG SER A 24 1.823 -10.037 -0.441 1.00 2.44 H new ATOM 53 N GLU A 25 3.767 -13.434 -0.107 1.00 1.39 N ATOM 54 CA GLU A 25 4.981 -13.534 0.682 1.00 1.23 C ATOM 55 C GLU A 25 5.138 -12.336 1.601 1.00 1.05 C ATOM 56 O GLU A 25 4.671 -11.235 1.299 1.00 1.12 O ATOM 57 CB GLU A 25 6.197 -13.594 -0.228 1.00 1.48 C ATOM 58 CG GLU A 25 6.601 -14.995 -0.616 1.00 1.13 C ATOM 59 CD GLU A 25 7.308 -15.031 -1.951 1.00 1.28 C ATOM 60 OE1 GLU A 25 6.854 -14.333 -2.880 1.00 1.43 O ATOM 61 OE2 GLU A 25 8.321 -15.744 -2.075 1.00 1.64 O ATOM 0 H GLU A 25 3.927 -13.270 -1.101 1.00 1.39 H new ATOM 0 HA GLU A 25 4.907 -14.443 1.278 1.00 1.23 H new ATOM 0 HB2 GLU A 25 5.990 -13.022 -1.133 1.00 1.48 H new ATOM 0 HB3 GLU A 25 7.036 -13.109 0.271 1.00 1.48 H new ATOM 0 HG2 GLU A 25 7.254 -15.410 0.152 1.00 1.13 H new ATOM 0 HG3 GLU A 25 5.716 -15.629 -0.657 1.00 1.13 H new ATOM 68 N VAL A 26 5.801 -12.559 2.717 1.00 0.93 N ATOM 69 CA VAL A 26 6.184 -11.483 3.607 1.00 0.84 C ATOM 70 C VAL A 26 7.703 -11.458 3.751 1.00 0.83 C ATOM 71 O VAL A 26 8.288 -10.469 4.199 1.00 0.85 O ATOM 72 CB VAL A 26 5.498 -11.628 4.985 1.00 0.83 C ATOM 73 CG1 VAL A 26 6.238 -12.616 5.874 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.370 -10.276 5.669 1.00 0.83 C ATOM 0 H VAL A 26 6.088 -13.486 3.031 1.00 0.93 H new ATOM 0 HA VAL A 26 5.853 -10.537 3.179 1.00 0.84 H new ATOM 0 HB VAL A 26 4.496 -12.023 4.816 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.729 -12.693 6.835 1.00 0.93 H new ATOM 0 HG12 VAL A 26 6.257 -13.594 5.394 1.00 0.93 H new ATOM 0 HG13 VAL A 26 7.259 -12.269 6.032 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.885 -10.402 6.637 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.361 -9.846 5.814 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.772 -9.609 5.048 1.00 0.83 H new ATOM 84 N SER A 27 8.326 -12.556 3.326 1.00 0.91 N ATOM 85 CA SER A 27 9.775 -12.716 3.358 1.00 1.00 C ATOM 86 C SER A 27 10.162 -14.055 2.735 1.00 1.07 C ATOM 87 O SER A 27 9.495 -15.068 2.958 1.00 1.19 O ATOM 88 CB SER A 27 10.303 -12.647 4.793 1.00 1.15 C ATOM 89 OG SER A 27 10.683 -11.326 5.139 1.00 1.61 O ATOM 0 H SER A 27 7.833 -13.365 2.947 1.00 0.91 H new ATOM 0 HA SER A 27 10.220 -11.902 2.786 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.536 -12.999 5.482 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.159 -13.314 4.900 1.00 1.15 H new ATOM 0 HG SER A 27 10.013 -10.694 4.803 1.00 1.61 H new ATOM 95 N ASN A 28 11.223 -14.054 1.947 1.00 1.07 N ATOM 96 CA ASN A 28 11.719 -15.270 1.320 1.00 1.18 C ATOM 97 C ASN A 28 13.236 -15.330 1.457 1.00 1.23 C ATOM 98 O ASN A 28 13.926 -14.381 1.103 1.00 1.12 O ATOM 99 CB ASN A 28 11.308 -15.309 -0.159 1.00 1.19 C ATOM 100 CG ASN A 28 11.559 -16.652 -0.828 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.634 -17.245 -0.703 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.570 -17.132 -1.562 1.00 1.48 N ATOM 0 H ASN A 28 11.763 -13.218 1.724 1.00 1.07 H new ATOM 0 HA ASN A 28 11.284 -16.137 1.818 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.249 -15.065 -0.239 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.854 -14.536 -0.699 1.00 1.19 H new ATOM 0 HD21 ASN A 28 10.681 -18.021 -2.049 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.696 -16.613 -1.642 1.00 1.48 H new ATOM 109 N PRO A 29 13.773 -16.440 1.983 1.00 1.46 N ATOM 110 CA PRO A 29 15.221 -16.609 2.209 1.00 1.60 C ATOM 111 C PRO A 29 16.040 -16.541 0.919 1.00 1.54 C ATOM 112 O PRO A 29 17.139 -15.986 0.899 1.00 1.54 O ATOM 113 CB PRO A 29 15.309 -18.015 2.808 1.00 1.87 C ATOM 114 CG PRO A 29 14.083 -18.688 2.320 1.00 1.86 C ATOM 115 CD PRO A 29 13.025 -17.638 2.397 1.00 1.65 C ATOM 0 HA PRO A 29 15.626 -15.818 2.840 1.00 1.60 H new ATOM 0 HB2 PRO A 29 16.208 -18.534 2.477 1.00 1.87 H new ATOM 0 HB3 PRO A 29 15.341 -17.984 3.897 1.00 1.87 H new ATOM 0 HG2 PRO A 29 14.209 -19.051 1.300 1.00 1.86 H new ATOM 0 HG3 PRO A 29 13.832 -19.551 2.937 1.00 1.86 H new ATOM 0 HD2 PRO A 29 12.188 -17.849 1.732 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.616 -17.540 3.403 1.00 1.65 H new ATOM 123 N SER A 30 15.497 -17.111 -0.150 1.00 1.57 N ATOM 124 CA SER A 30 16.179 -17.153 -1.432 1.00 1.63 C ATOM 125 C SER A 30 16.025 -15.824 -2.162 1.00 1.47 C ATOM 126 O SER A 30 16.787 -15.506 -3.079 1.00 1.58 O ATOM 127 CB SER A 30 15.602 -18.287 -2.272 1.00 1.81 C ATOM 128 OG SER A 30 15.570 -19.497 -1.533 1.00 2.18 O ATOM 0 H SER A 30 14.578 -17.553 -0.151 1.00 1.57 H new ATOM 0 HA SER A 30 17.242 -17.329 -1.267 1.00 1.63 H new ATOM 0 HB2 SER A 30 14.594 -18.028 -2.597 1.00 1.81 H new ATOM 0 HB3 SER A 30 16.203 -18.421 -3.171 1.00 1.81 H new ATOM 0 HG SER A 30 15.195 -20.211 -2.090 1.00 2.18 H new ATOM 134 N LYS A 31 15.025 -15.060 -1.751 1.00 1.28 N ATOM 135 CA LYS A 31 14.774 -13.744 -2.333 1.00 1.14 C ATOM 136 C LYS A 31 15.405 -12.650 -1.474 1.00 1.01 C ATOM 137 O LYS A 31 14.907 -12.339 -0.392 1.00 1.03 O ATOM 138 CB LYS A 31 13.270 -13.500 -2.463 1.00 1.14 C ATOM 139 CG LYS A 31 12.903 -12.414 -3.462 1.00 1.18 C ATOM 140 CD LYS A 31 11.850 -11.477 -2.891 1.00 1.26 C ATOM 141 CE LYS A 31 11.094 -10.745 -3.989 1.00 1.93 C ATOM 142 NZ LYS A 31 10.147 -11.635 -4.714 1.00 2.75 N ATOM 0 H LYS A 31 14.371 -15.326 -1.015 1.00 1.28 H new ATOM 0 HA LYS A 31 15.225 -13.716 -3.325 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.786 -14.430 -2.759 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.870 -13.230 -1.485 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.794 -11.845 -3.729 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.529 -12.870 -4.379 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.147 -12.047 -2.283 1.00 1.26 H new ATOM 0 HD3 LYS A 31 12.327 -10.752 -2.232 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.544 -9.911 -3.554 1.00 1.93 H new ATOM 0 HE3 LYS A 31 11.806 -10.322 -4.698 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 10.122 -11.370 -5.719 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 10.460 -12.623 -4.623 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 9.195 -11.535 -4.306 1.00 2.75 H new ATOM 156 N PRO A 32 16.506 -12.042 -1.944 1.00 0.99 N ATOM 157 CA PRO A 32 17.213 -11.013 -1.190 1.00 0.97 C ATOM 158 C PRO A 32 16.453 -9.696 -1.154 1.00 0.85 C ATOM 159 O PRO A 32 15.734 -9.346 -2.092 1.00 0.89 O ATOM 160 CB PRO A 32 18.538 -10.830 -1.939 1.00 1.14 C ATOM 161 CG PRO A 32 18.559 -11.867 -3.016 1.00 1.38 C ATOM 162 CD PRO A 32 17.137 -12.291 -3.243 1.00 1.13 C ATOM 0 HA PRO A 32 17.340 -11.310 -0.149 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.610 -9.828 -2.363 1.00 1.14 H new ATOM 0 HB3 PRO A 32 19.386 -10.953 -1.265 1.00 1.14 H new ATOM 0 HG2 PRO A 32 18.992 -11.464 -3.931 1.00 1.38 H new ATOM 0 HG3 PRO A 32 19.173 -12.718 -2.721 1.00 1.38 H new ATOM 0 HD2 PRO A 32 16.666 -11.713 -4.038 1.00 1.13 H new ATOM 0 HD3 PRO A 32 17.070 -13.341 -3.529 1.00 1.13 H new ATOM 170 N GLY A 33 16.631 -8.972 -0.068 1.00 0.83 N ATOM 171 CA GLY A 33 16.002 -7.684 0.085 1.00 0.79 C ATOM 172 C GLY A 33 16.891 -6.744 0.860 1.00 0.76 C ATOM 173 O GLY A 33 16.779 -6.636 2.075 1.00 0.97 O ATOM 0 H GLY A 33 17.209 -9.258 0.722 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.785 -7.261 -0.896 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.049 -7.799 0.601 1.00 0.79 H new ATOM 177 N ARG A 34 17.794 -6.080 0.165 1.00 0.81 N ATOM 178 CA ARG A 34 18.762 -5.216 0.822 1.00 0.79 C ATOM 179 C ARG A 34 18.109 -3.923 1.290 1.00 0.79 C ATOM 180 O ARG A 34 17.050 -3.536 0.807 1.00 0.97 O ATOM 181 CB ARG A 34 19.923 -4.913 -0.119 1.00 0.82 C ATOM 182 CG ARG A 34 20.889 -6.077 -0.263 1.00 1.24 C ATOM 183 CD ARG A 34 22.323 -5.647 -0.022 1.00 1.04 C ATOM 184 NE ARG A 34 23.048 -5.447 -1.274 1.00 0.98 N ATOM 185 CZ ARG A 34 24.263 -5.934 -1.513 1.00 1.43 C ATOM 186 NH1 ARG A 34 24.922 -6.585 -0.564 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.828 -5.753 -2.696 1.00 1.56 N ATOM 0 H ARG A 34 17.880 -6.120 -0.851 1.00 0.81 H new ATOM 0 HA ARG A 34 19.145 -5.739 1.698 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.529 -4.651 -1.101 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.465 -4.042 0.250 1.00 0.82 H new ATOM 0 HG2 ARG A 34 20.621 -6.862 0.444 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.800 -6.503 -1.262 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.333 -4.722 0.555 1.00 1.04 H new ATOM 0 HD3 ARG A 34 22.833 -6.402 0.577 1.00 1.04 H new ATOM 0 HE ARG A 34 22.596 -4.902 -2.008 1.00 0.98 H new ATOM 0 HH11 ARG A 34 24.498 -6.714 0.354 1.00 1.93 H new ATOM 0 HH12 ARG A 34 25.853 -6.956 -0.753 1.00 1.93 H new ATOM 0 HH21 ARG A 34 24.332 -5.240 -3.425 1.00 1.56 H new ATOM 0 HH22 ARG A 34 25.759 -6.126 -2.879 1.00 1.56 H new ATOM 201 N LYS A 35 18.739 -3.263 2.242 1.00 0.80 N ATOM 202 CA LYS A 35 18.221 -2.013 2.759 1.00 0.82 C ATOM 203 C LYS A 35 18.809 -0.849 1.981 1.00 0.77 C ATOM 204 O LYS A 35 19.982 -0.508 2.141 1.00 0.93 O ATOM 205 CB LYS A 35 18.548 -1.880 4.244 1.00 0.87 C ATOM 206 CG LYS A 35 17.476 -1.152 5.035 1.00 1.42 C ATOM 207 CD LYS A 35 16.582 -2.119 5.799 1.00 1.71 C ATOM 208 CE LYS A 35 16.637 -1.863 7.297 1.00 1.85 C ATOM 209 NZ LYS A 35 15.295 -1.941 7.933 1.00 2.64 N ATOM 0 H LYS A 35 19.610 -3.572 2.673 1.00 0.80 H new ATOM 0 HA LYS A 35 17.137 -2.002 2.642 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.689 -2.874 4.668 1.00 0.87 H new ATOM 0 HB3 LYS A 35 19.494 -1.349 4.354 1.00 0.87 H new ATOM 0 HG2 LYS A 35 17.947 -0.462 5.735 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.868 -0.553 4.357 1.00 1.42 H new ATOM 0 HD2 LYS A 35 15.554 -2.020 5.449 1.00 1.71 H new ATOM 0 HD3 LYS A 35 16.892 -3.143 5.592 1.00 1.71 H new ATOM 0 HE2 LYS A 35 17.300 -2.591 7.764 1.00 1.85 H new ATOM 0 HE3 LYS A 35 17.066 -0.878 7.479 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 15.395 -1.861 8.965 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 14.699 -1.165 7.582 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 14.852 -2.852 7.698 1.00 2.64 H new ATOM 223 N THR A 36 18.003 -0.266 1.112 1.00 0.59 N ATOM 224 CA THR A 36 18.441 0.868 0.326 1.00 0.54 C ATOM 225 C THR A 36 17.838 2.161 0.870 1.00 0.46 C ATOM 226 O THR A 36 16.883 2.127 1.656 1.00 0.46 O ATOM 227 CB THR A 36 18.067 0.703 -1.163 1.00 0.56 C ATOM 228 OG1 THR A 36 16.742 1.194 -1.405 1.00 0.54 O ATOM 229 CG2 THR A 36 18.150 -0.755 -1.588 1.00 0.68 C ATOM 0 H THR A 36 17.043 -0.560 0.934 1.00 0.59 H new ATOM 0 HA THR A 36 19.527 0.918 0.401 1.00 0.54 H new ATOM 0 HB THR A 36 18.780 1.282 -1.750 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.591 1.265 -2.371 1.00 0.54 H new ATOM 0 HG21 THR A 36 17.882 -0.843 -2.641 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.167 -1.120 -1.441 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.461 -1.349 -0.987 1.00 0.68 H new ATOM 237 N ASN A 37 18.401 3.293 0.456 1.00 0.42 N ATOM 238 CA ASN A 37 17.927 4.602 0.892 1.00 0.40 C ATOM 239 C ASN A 37 16.477 4.809 0.481 1.00 0.33 C ATOM 240 O ASN A 37 15.679 5.317 1.255 1.00 0.33 O ATOM 241 CB ASN A 37 18.800 5.717 0.306 1.00 0.48 C ATOM 242 CG ASN A 37 18.423 7.092 0.830 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.392 7.323 2.038 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.145 8.020 -0.077 1.00 0.78 N ATOM 0 H ASN A 37 19.193 3.329 -0.186 1.00 0.42 H new ATOM 0 HA ASN A 37 17.994 4.640 1.979 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.845 5.517 0.542 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.711 5.710 -0.780 1.00 0.48 H new ATOM 0 HD21 ASN A 37 17.895 8.964 0.219 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.182 7.790 -1.070 1.00 0.78 H new ATOM 251 N GLN A 38 16.146 4.391 -0.736 1.00 0.33 N ATOM 252 CA GLN A 38 14.788 4.504 -1.252 1.00 0.31 C ATOM 253 C GLN A 38 13.820 3.688 -0.398 1.00 0.26 C ATOM 254 O GLN A 38 12.742 4.164 -0.039 1.00 0.25 O ATOM 255 CB GLN A 38 14.737 4.023 -2.705 1.00 0.36 C ATOM 256 CG GLN A 38 13.772 4.806 -3.580 1.00 0.46 C ATOM 257 CD GLN A 38 13.806 4.368 -5.032 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.191 3.370 -5.409 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.523 5.115 -5.859 1.00 0.55 N ATOM 0 H GLN A 38 16.806 3.967 -1.388 1.00 0.33 H new ATOM 0 HA GLN A 38 14.488 5.551 -1.212 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.737 4.089 -3.134 1.00 0.36 H new ATOM 0 HB3 GLN A 38 14.453 2.971 -2.719 1.00 0.36 H new ATOM 0 HG2 GLN A 38 12.760 4.687 -3.193 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.014 5.867 -3.520 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.018 5.934 -5.507 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.580 4.871 -6.848 1.00 0.55 H new ATOM 268 N LEU A 39 14.229 2.467 -0.065 1.00 0.28 N ATOM 269 CA LEU A 39 13.403 1.562 0.725 1.00 0.31 C ATOM 270 C LEU A 39 13.082 2.162 2.089 1.00 0.29 C ATOM 271 O LEU A 39 11.916 2.254 2.483 1.00 0.30 O ATOM 272 CB LEU A 39 14.115 0.220 0.901 1.00 0.38 C ATOM 273 CG LEU A 39 13.370 -0.790 1.770 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.842 -1.930 0.920 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.273 -1.315 2.874 1.00 0.80 C ATOM 0 H LEU A 39 15.134 2.080 -0.333 1.00 0.28 H new ATOM 0 HA LEU A 39 12.466 1.406 0.191 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.280 -0.220 -0.083 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.097 0.400 1.338 1.00 0.38 H new ATOM 0 HG LEU A 39 12.522 -0.287 2.236 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.313 -2.642 1.554 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.158 -1.537 0.168 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.674 -2.432 0.427 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.724 -2.033 3.482 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.142 -1.803 2.432 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.602 -0.486 3.500 1.00 0.80 H new ATOM 287 N GLN A 40 14.120 2.577 2.801 1.00 0.29 N ATOM 288 CA GLN A 40 13.954 3.151 4.127 1.00 0.30 C ATOM 289 C GLN A 40 13.279 4.513 4.049 1.00 0.26 C ATOM 290 O GLN A 40 12.594 4.932 4.988 1.00 0.28 O ATOM 291 CB GLN A 40 15.305 3.271 4.827 1.00 0.36 C ATOM 292 CG GLN A 40 15.795 1.956 5.404 1.00 0.42 C ATOM 293 CD GLN A 40 14.969 1.491 6.584 1.00 0.72 C ATOM 294 OE1 GLN A 40 14.266 0.485 6.502 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.052 2.208 7.688 1.00 0.83 N ATOM 0 H GLN A 40 15.087 2.526 2.481 1.00 0.29 H new ATOM 0 HA GLN A 40 13.315 2.485 4.707 1.00 0.30 H new ATOM 0 HB2 GLN A 40 16.043 3.647 4.118 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.229 4.006 5.628 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.772 1.192 4.627 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.834 2.065 5.714 1.00 0.42 H new ATOM 0 HE21 GLN A 40 15.647 3.036 7.715 1.00 0.83 H new ATOM 0 HE22 GLN A 40 14.521 1.934 8.515 1.00 0.83 H new ATOM 304 N TYR A 41 13.477 5.198 2.927 1.00 0.25 N ATOM 305 CA TYR A 41 12.848 6.477 2.690 1.00 0.24 C ATOM 306 C TYR A 41 11.338 6.325 2.692 1.00 0.22 C ATOM 307 O TYR A 41 10.666 6.839 3.571 1.00 0.23 O ATOM 308 CB TYR A 41 13.322 7.054 1.352 1.00 0.24 C ATOM 309 CG TYR A 41 12.610 8.315 0.936 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.450 8.258 0.182 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.095 9.558 1.302 1.00 0.42 C ATOM 312 CE1 TYR A 41 10.788 9.405 -0.197 1.00 0.44 C ATOM 313 CE2 TYR A 41 12.442 10.715 0.926 1.00 0.52 C ATOM 314 CZ TYR A 41 11.288 10.634 0.178 1.00 0.53 C ATOM 315 OH TYR A 41 10.627 11.783 -0.195 1.00 0.64 O ATOM 0 H TYR A 41 14.076 4.878 2.166 1.00 0.25 H new ATOM 0 HA TYR A 41 13.130 7.163 3.488 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.391 7.258 1.415 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.186 6.301 0.576 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.057 7.297 -0.114 1.00 0.32 H new ATOM 0 HD2 TYR A 41 13.998 9.624 1.891 1.00 0.42 H new ATOM 0 HE1 TYR A 41 9.884 9.342 -0.784 1.00 0.44 H new ATOM 0 HE2 TYR A 41 12.834 11.678 1.217 1.00 0.52 H new ATOM 0 HH TYR A 41 9.917 11.560 -0.833 1.00 0.64 H new ATOM 325 N MET A 42 10.810 5.569 1.739 1.00 0.20 N ATOM 326 CA MET A 42 9.369 5.482 1.566 1.00 0.20 C ATOM 327 C MET A 42 8.713 4.906 2.814 1.00 0.21 C ATOM 328 O MET A 42 7.582 5.257 3.148 1.00 0.22 O ATOM 329 CB MET A 42 9.031 4.633 0.334 1.00 0.23 C ATOM 330 CG MET A 42 7.603 4.102 0.316 1.00 0.80 C ATOM 331 SD MET A 42 6.673 4.665 -1.120 1.00 1.07 S ATOM 332 CE MET A 42 7.225 3.491 -2.347 1.00 1.13 C ATOM 0 H MET A 42 11.354 5.012 1.080 1.00 0.20 H new ATOM 0 HA MET A 42 8.977 6.487 1.410 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.196 5.231 -0.562 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.721 3.791 0.286 1.00 0.23 H new ATOM 0 HG2 MET A 42 7.624 3.012 0.326 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.090 4.419 1.224 1.00 0.80 H new ATOM 0 HE1 MET A 42 7.738 4.019 -3.151 1.00 1.13 H new ATOM 0 HE2 MET A 42 7.909 2.778 -1.887 1.00 1.13 H new ATOM 0 HE3 MET A 42 6.365 2.959 -2.754 1.00 1.13 H new ATOM 342 N GLN A 43 9.450 4.048 3.507 1.00 0.24 N ATOM 343 CA GLN A 43 8.965 3.414 4.725 1.00 0.30 C ATOM 344 C GLN A 43 8.590 4.456 5.781 1.00 0.30 C ATOM 345 O GLN A 43 7.447 4.522 6.227 1.00 0.33 O ATOM 346 CB GLN A 43 10.047 2.482 5.276 1.00 0.42 C ATOM 347 CG GLN A 43 9.522 1.396 6.203 1.00 0.84 C ATOM 348 CD GLN A 43 10.616 0.442 6.647 1.00 0.76 C ATOM 349 OE1 GLN A 43 10.698 0.069 7.818 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.459 0.034 5.710 1.00 0.54 N ATOM 0 H GLN A 43 10.396 3.773 3.242 1.00 0.24 H new ATOM 0 HA GLN A 43 8.069 2.842 4.484 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.565 2.011 4.440 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.784 3.078 5.814 1.00 0.42 H new ATOM 0 HG2 GLN A 43 9.067 1.858 7.079 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.738 0.835 5.695 1.00 0.84 H new ATOM 0 HE21 GLN A 43 11.356 0.367 4.751 1.00 0.54 H new ATOM 0 HE22 GLN A 43 12.211 -0.613 5.947 1.00 0.54 H new ATOM 359 N ASN A 44 9.554 5.272 6.168 1.00 0.30 N ATOM 360 CA ASN A 44 9.334 6.265 7.216 1.00 0.33 C ATOM 361 C ASN A 44 8.793 7.578 6.662 1.00 0.31 C ATOM 362 O ASN A 44 8.141 8.338 7.375 1.00 0.34 O ATOM 363 CB ASN A 44 10.632 6.515 7.987 1.00 0.37 C ATOM 364 CG ASN A 44 11.100 5.286 8.748 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.625 5.005 9.849 1.00 0.50 O ATOM 366 ND2 ASN A 44 12.031 4.545 8.165 1.00 0.47 N ATOM 0 H ASN A 44 10.496 5.271 5.777 1.00 0.30 H new ATOM 0 HA ASN A 44 8.580 5.861 7.892 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.411 6.826 7.291 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.483 7.337 8.687 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.380 3.707 8.629 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.398 4.813 7.252 1.00 0.47 H new ATOM 373 N VAL A 45 9.084 7.855 5.405 1.00 0.27 N ATOM 374 CA VAL A 45 8.696 9.119 4.802 1.00 0.27 C ATOM 375 C VAL A 45 7.308 9.060 4.171 1.00 0.24 C ATOM 376 O VAL A 45 6.416 9.816 4.547 1.00 0.28 O ATOM 377 CB VAL A 45 9.714 9.548 3.729 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.267 10.815 3.034 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.094 9.720 4.342 1.00 0.30 C ATOM 0 H VAL A 45 9.587 7.224 4.781 1.00 0.27 H new ATOM 0 HA VAL A 45 8.675 9.851 5.610 1.00 0.27 H new ATOM 0 HB VAL A 45 9.771 8.760 2.978 1.00 0.26 H new ATOM 0 HG11 VAL A 45 10.003 11.096 2.281 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.303 10.646 2.554 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.172 11.617 3.766 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.800 10.023 3.569 1.00 0.30 H new ATOM 0 HG22 VAL A 45 11.055 10.485 5.118 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.418 8.776 4.779 1.00 0.30 H new ATOM 389 N VAL A 46 7.120 8.145 3.228 1.00 0.19 N ATOM 390 CA VAL A 46 5.912 8.142 2.415 1.00 0.19 C ATOM 391 C VAL A 46 4.746 7.465 3.129 1.00 0.19 C ATOM 392 O VAL A 46 3.766 8.124 3.485 1.00 0.19 O ATOM 393 CB VAL A 46 6.142 7.471 1.045 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.868 7.507 0.214 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.281 8.151 0.297 1.00 0.22 C ATOM 0 H VAL A 46 7.783 7.401 3.009 1.00 0.19 H new ATOM 0 HA VAL A 46 5.656 9.189 2.250 1.00 0.19 H new ATOM 0 HB VAL A 46 6.416 6.430 1.217 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.048 7.030 -0.749 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.075 6.975 0.740 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.567 8.542 0.055 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.427 7.662 -0.666 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.036 9.201 0.138 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.197 8.077 0.883 1.00 0.22 H new ATOM 405 N VAL A 47 4.854 6.159 3.361 1.00 0.20 N ATOM 406 CA VAL A 47 3.736 5.400 3.921 1.00 0.23 C ATOM 407 C VAL A 47 3.439 5.826 5.359 1.00 0.23 C ATOM 408 O VAL A 47 2.286 5.833 5.777 1.00 0.25 O ATOM 409 CB VAL A 47 3.956 3.863 3.839 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.342 3.470 4.302 1.00 0.70 C ATOM 411 CG2 VAL A 47 2.896 3.105 4.628 1.00 0.83 C ATOM 0 H VAL A 47 5.692 5.609 3.173 1.00 0.20 H new ATOM 0 HA VAL A 47 2.868 5.633 3.305 1.00 0.23 H new ATOM 0 HB VAL A 47 3.862 3.586 2.789 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.457 2.388 4.230 1.00 0.70 H new ATOM 0 HG12 VAL A 47 6.087 3.957 3.673 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.482 3.781 5.337 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.080 2.034 4.549 1.00 0.83 H new ATOM 0 HG22 VAL A 47 2.939 3.404 5.675 1.00 0.83 H new ATOM 0 HG23 VAL A 47 1.909 3.334 4.225 1.00 0.83 H new ATOM 421 N LYS A 48 4.467 6.217 6.107 1.00 0.26 N ATOM 422 CA LYS A 48 4.259 6.701 7.466 1.00 0.30 C ATOM 423 C LYS A 48 3.397 7.964 7.472 1.00 0.28 C ATOM 424 O LYS A 48 2.608 8.182 8.391 1.00 0.33 O ATOM 425 CB LYS A 48 5.592 6.980 8.151 1.00 0.36 C ATOM 426 CG LYS A 48 5.598 6.631 9.632 1.00 0.53 C ATOM 427 CD LYS A 48 6.022 7.815 10.489 1.00 1.25 C ATOM 428 CE LYS A 48 7.382 7.581 11.126 1.00 1.79 C ATOM 429 NZ LYS A 48 7.669 8.565 12.201 1.00 2.40 N ATOM 0 H LYS A 48 5.440 6.208 5.800 1.00 0.26 H new ATOM 0 HA LYS A 48 3.736 5.920 8.019 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.375 6.412 7.649 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.838 8.035 8.033 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.603 6.303 9.932 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.276 5.795 9.806 1.00 0.53 H new ATOM 0 HD2 LYS A 48 6.056 8.716 9.876 1.00 1.25 H new ATOM 0 HD3 LYS A 48 5.279 7.987 11.268 1.00 1.25 H new ATOM 0 HE2 LYS A 48 7.421 6.572 11.538 1.00 1.79 H new ATOM 0 HE3 LYS A 48 8.156 7.643 10.361 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 8.606 8.370 12.609 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 7.657 9.526 11.804 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 6.945 8.489 12.944 1.00 2.40 H new ATOM 443 N THR A 49 3.546 8.791 6.443 1.00 0.23 N ATOM 444 CA THR A 49 2.738 9.996 6.320 1.00 0.24 C ATOM 445 C THR A 49 1.355 9.653 5.767 1.00 0.22 C ATOM 446 O THR A 49 0.352 10.232 6.180 1.00 0.24 O ATOM 447 CB THR A 49 3.423 11.049 5.423 1.00 0.28 C ATOM 448 OG1 THR A 49 4.748 11.310 5.909 1.00 0.55 O ATOM 449 CG2 THR A 49 2.628 12.348 5.398 1.00 0.52 C ATOM 0 H THR A 49 4.215 8.649 5.686 1.00 0.23 H new ATOM 0 HA THR A 49 2.629 10.425 7.316 1.00 0.24 H new ATOM 0 HB THR A 49 3.471 10.653 4.409 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.370 10.653 5.533 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.134 13.072 4.759 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.628 12.155 5.008 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.552 12.748 6.409 1.00 0.52 H new ATOM 457 N LEU A 50 1.312 8.689 4.849 1.00 0.20 N ATOM 458 CA LEU A 50 0.049 8.195 4.311 1.00 0.21 C ATOM 459 C LEU A 50 -0.800 7.614 5.438 1.00 0.20 C ATOM 460 O LEU A 50 -1.991 7.888 5.538 1.00 0.21 O ATOM 461 CB LEU A 50 0.307 7.122 3.239 1.00 0.24 C ATOM 462 CG LEU A 50 -0.516 7.243 1.944 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.129 5.903 1.569 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.603 8.295 2.080 1.00 0.29 C ATOM 0 H LEU A 50 2.140 8.235 4.463 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.486 9.025 3.850 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.365 7.148 2.976 1.00 0.24 H new ATOM 0 HB3 LEU A 50 0.111 6.144 3.679 1.00 0.24 H new ATOM 0 HG LEU A 50 0.162 7.553 1.149 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.706 6.011 0.651 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.336 5.171 1.415 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.784 5.565 2.372 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.167 8.357 1.150 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.274 8.021 2.894 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.148 9.262 2.294 1.00 0.29 H new ATOM 476 N TRP A 51 -0.155 6.831 6.292 1.00 0.22 N ATOM 477 CA TRP A 51 -0.808 6.193 7.427 1.00 0.24 C ATOM 478 C TRP A 51 -1.357 7.225 8.412 1.00 0.26 C ATOM 479 O TRP A 51 -2.364 6.991 9.074 1.00 0.29 O ATOM 480 CB TRP A 51 0.192 5.276 8.140 1.00 0.27 C ATOM 481 CG TRP A 51 -0.442 4.228 9.004 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.867 4.374 10.292 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.712 2.870 8.643 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.389 3.191 10.753 1.00 0.32 N ATOM 485 CE2 TRP A 51 -1.305 2.252 9.760 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.511 2.114 7.485 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.701 0.917 9.751 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.904 0.790 7.476 1.00 0.37 C ATOM 489 CH2 TRP A 51 -1.493 0.202 8.604 1.00 0.39 C ATOM 0 H TRP A 51 0.840 6.620 6.217 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.649 5.609 7.052 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.815 4.786 7.392 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.853 5.887 8.755 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.802 5.287 10.865 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.776 3.037 11.684 1.00 0.32 H new ATOM 0 HE3 TRP A 51 -0.056 2.558 6.612 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -2.156 0.463 10.619 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.755 0.198 6.585 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.788 -0.836 8.566 1.00 0.39 H new ATOM 500 N LYS A 52 -0.701 8.371 8.494 1.00 0.27 N ATOM 501 CA LYS A 52 -1.063 9.379 9.478 1.00 0.29 C ATOM 502 C LYS A 52 -2.091 10.366 8.934 1.00 0.30 C ATOM 503 O LYS A 52 -2.404 11.367 9.582 1.00 0.45 O ATOM 504 CB LYS A 52 0.179 10.118 9.944 1.00 0.33 C ATOM 505 CG LYS A 52 0.729 9.602 11.263 1.00 0.48 C ATOM 506 CD LYS A 52 2.144 10.098 11.515 1.00 1.13 C ATOM 507 CE LYS A 52 2.194 11.611 11.677 1.00 1.74 C ATOM 508 NZ LYS A 52 1.155 12.115 12.615 1.00 2.24 N ATOM 0 H LYS A 52 0.083 8.626 7.893 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.521 8.866 10.324 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.951 10.034 9.179 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.055 11.178 10.046 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.080 9.923 12.078 1.00 0.48 H new ATOM 0 HG3 LYS A 52 0.721 8.512 11.259 1.00 0.48 H new ATOM 0 HD2 LYS A 52 2.541 9.623 12.412 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.786 9.800 10.686 1.00 1.13 H new ATOM 0 HE2 LYS A 52 3.180 11.903 12.040 1.00 1.74 H new ATOM 0 HE3 LYS A 52 2.060 12.083 10.703 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 1.371 13.098 12.877 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 0.223 12.077 12.154 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 1.143 11.523 13.470 1.00 2.24 H new ATOM 522 N HIS A 53 -2.613 10.089 7.748 1.00 0.25 N ATOM 523 CA HIS A 53 -3.637 10.940 7.158 1.00 0.26 C ATOM 524 C HIS A 53 -4.979 10.698 7.842 1.00 0.31 C ATOM 525 O HIS A 53 -5.309 9.567 8.208 1.00 0.35 O ATOM 526 CB HIS A 53 -3.750 10.682 5.654 1.00 0.24 C ATOM 527 CG HIS A 53 -4.586 11.692 4.929 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.854 11.395 4.500 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.288 12.964 4.578 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.296 12.482 3.896 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.383 13.462 3.920 1.00 0.39 N ATOM 0 H HIS A 53 -2.347 9.286 7.178 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.351 11.981 7.306 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.750 10.673 5.220 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.175 9.691 5.496 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.364 13.487 4.778 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.271 12.570 3.440 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.483 14.397 3.525 1.00 0.39 H new ATOM 539 N GLN A 54 -5.753 11.763 8.005 1.00 0.42 N ATOM 540 CA GLN A 54 -7.014 11.691 8.734 1.00 0.54 C ATOM 541 C GLN A 54 -8.069 10.884 7.983 1.00 0.42 C ATOM 542 O GLN A 54 -8.982 10.330 8.592 1.00 0.47 O ATOM 543 CB GLN A 54 -7.535 13.101 9.011 1.00 0.79 C ATOM 544 CG GLN A 54 -7.011 13.689 10.310 1.00 1.09 C ATOM 545 CD GLN A 54 -7.574 12.988 11.526 1.00 1.24 C ATOM 546 OE1 GLN A 54 -8.616 13.377 12.052 1.00 1.91 O ATOM 547 NE2 GLN A 54 -6.894 11.953 11.989 1.00 1.21 N ATOM 0 H GLN A 54 -5.530 12.689 7.642 1.00 0.42 H new ATOM 0 HA GLN A 54 -6.819 11.177 9.675 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.254 13.754 8.185 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.624 13.079 9.043 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -5.923 13.620 10.325 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -7.264 14.748 10.355 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -6.034 11.660 11.526 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -7.230 11.448 12.809 1.00 1.21 H new ATOM 556 N PHE A 55 -7.943 10.810 6.667 1.00 0.36 N ATOM 557 CA PHE A 55 -8.914 10.084 5.856 1.00 0.31 C ATOM 558 C PHE A 55 -8.333 8.755 5.384 1.00 0.27 C ATOM 559 O PHE A 55 -8.933 8.053 4.577 1.00 0.29 O ATOM 560 CB PHE A 55 -9.361 10.930 4.661 1.00 0.36 C ATOM 561 CG PHE A 55 -10.000 12.241 5.042 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.830 12.332 6.150 1.00 0.62 C ATOM 563 CD2 PHE A 55 -9.768 13.382 4.291 1.00 0.73 C ATOM 564 CE1 PHE A 55 -11.416 13.534 6.499 1.00 0.76 C ATOM 565 CE2 PHE A 55 -10.353 14.587 4.635 1.00 0.93 C ATOM 566 CZ PHE A 55 -11.176 14.662 5.741 1.00 0.86 C ATOM 0 H PHE A 55 -7.184 11.240 6.138 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.787 9.877 6.474 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.497 11.129 4.027 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -10.068 10.353 4.065 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -11.021 11.453 6.747 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -9.123 13.330 3.427 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.061 13.590 7.364 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -10.166 15.468 4.039 1.00 0.93 H new ATOM 0 HZ PHE A 55 -11.632 15.603 6.013 1.00 0.86 H new ATOM 576 N ALA A 56 -7.165 8.406 5.908 1.00 0.25 N ATOM 577 CA ALA A 56 -6.505 7.154 5.549 1.00 0.25 C ATOM 578 C ALA A 56 -6.874 6.050 6.524 1.00 0.26 C ATOM 579 O ALA A 56 -6.326 4.952 6.477 1.00 0.28 O ATOM 580 CB ALA A 56 -5.000 7.338 5.522 1.00 0.28 C ATOM 0 H ALA A 56 -6.653 8.972 6.584 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.845 6.866 4.554 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.523 6.396 5.253 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.740 8.099 4.787 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.654 7.651 6.507 1.00 0.28 H new ATOM 586 N TRP A 57 -7.824 6.352 7.391 1.00 0.30 N ATOM 587 CA TRP A 57 -8.221 5.429 8.451 1.00 0.34 C ATOM 588 C TRP A 57 -8.805 4.093 7.932 1.00 0.35 C ATOM 589 O TRP A 57 -8.580 3.063 8.565 1.00 0.40 O ATOM 590 CB TRP A 57 -9.179 6.108 9.448 1.00 0.37 C ATOM 591 CG TRP A 57 -10.505 6.523 8.877 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.796 7.700 8.252 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.724 5.767 8.899 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.116 7.720 7.875 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.707 6.546 8.261 1.00 0.46 C ATOM 596 CE3 TRP A 57 -12.077 4.508 9.390 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -14.019 6.106 8.104 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.378 4.071 9.233 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.336 4.868 8.596 1.00 0.58 C ATOM 0 H TRP A 57 -8.340 7.232 7.385 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.302 5.164 8.974 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.357 5.426 10.279 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.686 6.989 9.859 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.091 8.500 8.079 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.581 8.485 7.387 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.345 3.886 9.884 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.760 6.719 7.612 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.661 3.098 9.608 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.346 4.499 8.490 1.00 0.58 H new ATOM 610 N PRO A 58 -9.550 4.042 6.795 1.00 0.34 N ATOM 611 CA PRO A 58 -10.092 2.780 6.288 1.00 0.40 C ATOM 612 C PRO A 58 -9.050 1.970 5.526 1.00 0.36 C ATOM 613 O PRO A 58 -9.355 0.916 4.970 1.00 0.45 O ATOM 614 CB PRO A 58 -11.223 3.210 5.344 1.00 0.47 C ATOM 615 CG PRO A 58 -11.282 4.699 5.413 1.00 0.40 C ATOM 616 CD PRO A 58 -9.949 5.154 5.923 1.00 0.32 C ATOM 0 HA PRO A 58 -10.427 2.135 7.100 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -11.028 2.875 4.325 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.172 2.769 5.648 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.488 5.125 4.431 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.083 5.025 6.076 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.236 5.312 5.113 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.022 6.094 6.470 1.00 0.32 H new ATOM 624 N PHE A 59 -7.826 2.475 5.502 1.00 0.31 N ATOM 625 CA PHE A 59 -6.719 1.799 4.846 1.00 0.31 C ATOM 626 C PHE A 59 -5.700 1.373 5.896 1.00 0.31 C ATOM 627 O PHE A 59 -4.499 1.605 5.763 1.00 0.52 O ATOM 628 CB PHE A 59 -6.071 2.721 3.812 1.00 0.36 C ATOM 629 CG PHE A 59 -6.787 2.757 2.491 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.712 1.685 1.618 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.549 3.856 2.130 1.00 0.68 C ATOM 632 CE1 PHE A 59 -7.380 1.708 0.410 1.00 1.11 C ATOM 633 CE2 PHE A 59 -8.218 3.886 0.921 1.00 0.87 C ATOM 634 CZ PHE A 59 -8.089 2.836 0.036 1.00 0.95 C ATOM 0 H PHE A 59 -7.573 3.363 5.936 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.090 0.916 4.326 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.028 3.732 4.218 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.043 2.399 3.648 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -6.123 0.820 1.885 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.621 4.699 2.801 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -7.349 0.847 -0.242 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -8.841 4.731 0.669 1.00 0.87 H new ATOM 0 HZ PHE A 59 -8.539 2.894 -0.944 1.00 0.95 H new ATOM 644 N TYR A 60 -6.207 0.771 6.960 1.00 0.35 N ATOM 645 CA TYR A 60 -5.375 0.327 8.072 1.00 0.39 C ATOM 646 C TYR A 60 -5.398 -1.192 8.162 1.00 0.45 C ATOM 647 O TYR A 60 -4.582 -1.806 8.852 1.00 0.63 O ATOM 648 CB TYR A 60 -5.906 0.903 9.389 1.00 0.46 C ATOM 649 CG TYR A 60 -5.389 2.281 9.756 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.946 3.181 8.791 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.368 2.684 11.084 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.495 4.440 9.147 1.00 0.31 C ATOM 653 CE2 TYR A 60 -4.924 3.938 11.444 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.488 4.812 10.477 1.00 0.45 C ATOM 655 OH TYR A 60 -4.054 6.066 10.843 1.00 0.58 O ATOM 0 H TYR A 60 -7.201 0.576 7.079 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.356 0.674 7.902 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.994 0.945 9.334 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.654 0.213 10.195 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.954 2.893 7.750 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -5.706 2.002 11.850 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -4.150 5.128 8.389 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -4.919 4.233 12.483 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.308 6.335 10.267 1.00 0.58 H new ATOM 665 N GLN A 61 -6.340 -1.785 7.450 1.00 0.46 N ATOM 666 CA GLN A 61 -6.649 -3.198 7.594 1.00 0.55 C ATOM 667 C GLN A 61 -6.576 -3.901 6.249 1.00 0.56 C ATOM 668 O GLN A 61 -7.356 -3.592 5.350 1.00 0.57 O ATOM 669 CB GLN A 61 -8.055 -3.390 8.181 1.00 0.65 C ATOM 670 CG GLN A 61 -8.669 -2.127 8.782 1.00 0.71 C ATOM 671 CD GLN A 61 -9.324 -1.213 7.751 1.00 1.09 C ATOM 672 OE1 GLN A 61 -10.014 -0.260 8.110 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.111 -1.483 6.468 1.00 1.63 N ATOM 0 H GLN A 61 -6.912 -1.302 6.757 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.912 -3.630 8.271 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.715 -3.762 7.397 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -8.011 -4.160 8.952 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -9.413 -2.414 9.525 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.892 -1.570 9.307 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -8.534 -2.281 6.204 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -9.525 -0.892 5.747 1.00 1.63 H new ATOM 682 N PRO A 62 -5.653 -4.862 6.101 1.00 0.63 N ATOM 683 CA PRO A 62 -5.492 -5.606 4.853 1.00 0.68 C ATOM 684 C PRO A 62 -6.740 -6.406 4.494 1.00 0.69 C ATOM 685 O PRO A 62 -7.425 -6.941 5.372 1.00 0.77 O ATOM 686 CB PRO A 62 -4.310 -6.543 5.130 1.00 0.78 C ATOM 687 CG PRO A 62 -4.189 -6.610 6.614 1.00 0.87 C ATOM 688 CD PRO A 62 -4.700 -5.299 7.138 1.00 0.73 C ATOM 0 HA PRO A 62 -5.325 -4.941 4.005 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -4.486 -7.532 4.706 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.394 -6.162 4.679 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -4.769 -7.441 7.014 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -3.153 -6.771 6.913 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -5.186 -5.416 8.106 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -3.893 -4.578 7.271 1.00 0.73 H new ATOM 696 N VAL A 63 -7.036 -6.473 3.203 1.00 0.66 N ATOM 697 CA VAL A 63 -8.173 -7.232 2.719 1.00 0.69 C ATOM 698 C VAL A 63 -7.938 -8.724 2.939 1.00 0.77 C ATOM 699 O VAL A 63 -7.117 -9.355 2.273 1.00 0.88 O ATOM 700 CB VAL A 63 -8.467 -6.935 1.226 1.00 0.73 C ATOM 701 CG1 VAL A 63 -9.194 -8.092 0.568 1.00 0.82 C ATOM 702 CG2 VAL A 63 -9.292 -5.664 1.093 1.00 0.75 C ATOM 0 H VAL A 63 -6.499 -6.007 2.472 1.00 0.66 H new ATOM 0 HA VAL A 63 -9.050 -6.924 3.288 1.00 0.69 H new ATOM 0 HB VAL A 63 -7.512 -6.799 0.719 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -9.386 -7.853 -0.478 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -8.579 -8.990 0.629 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -10.140 -8.265 1.080 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -9.491 -5.468 0.039 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -10.236 -5.786 1.624 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -8.741 -4.826 1.520 1.00 0.75 H new ATOM 712 N ASP A 64 -8.641 -9.258 3.922 1.00 0.79 N ATOM 713 CA ASP A 64 -8.562 -10.670 4.254 1.00 0.93 C ATOM 714 C ASP A 64 -9.849 -11.368 3.812 1.00 1.00 C ATOM 715 O ASP A 64 -10.013 -12.580 3.964 1.00 1.51 O ATOM 716 CB ASP A 64 -8.284 -10.804 5.765 1.00 1.02 C ATOM 717 CG ASP A 64 -9.082 -11.883 6.476 1.00 1.29 C ATOM 718 OD1 ASP A 64 -10.298 -11.689 6.687 1.00 1.85 O ATOM 719 OD2 ASP A 64 -8.485 -12.910 6.862 1.00 1.42 O ATOM 0 H ASP A 64 -9.282 -8.727 4.512 1.00 0.79 H new ATOM 0 HA ASP A 64 -7.744 -11.160 3.726 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -7.222 -11.007 5.906 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -8.492 -9.847 6.243 1.00 1.02 H new ATOM 724 N ALA A 65 -10.735 -10.562 3.216 1.00 0.94 N ATOM 725 CA ALA A 65 -12.036 -11.006 2.704 1.00 0.94 C ATOM 726 C ALA A 65 -13.046 -11.192 3.827 1.00 1.03 C ATOM 727 O ALA A 65 -14.103 -10.576 3.822 1.00 1.29 O ATOM 728 CB ALA A 65 -11.918 -12.279 1.872 1.00 0.96 C ATOM 0 H ALA A 65 -10.565 -9.566 3.074 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.400 -10.215 2.049 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -12.905 -12.572 1.513 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.261 -12.098 1.021 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -11.504 -13.078 2.487 1.00 0.96 H new ATOM 734 N ILE A 66 -12.705 -12.007 4.804 1.00 1.03 N ATOM 735 CA ILE A 66 -13.646 -12.374 5.851 1.00 1.14 C ATOM 736 C ILE A 66 -13.801 -11.258 6.887 1.00 1.13 C ATOM 737 O ILE A 66 -14.919 -10.849 7.205 1.00 1.19 O ATOM 738 CB ILE A 66 -13.219 -13.683 6.548 1.00 1.24 C ATOM 739 CG1 ILE A 66 -13.073 -14.807 5.519 1.00 1.35 C ATOM 740 CG2 ILE A 66 -14.226 -14.076 7.620 1.00 1.37 C ATOM 741 CD1 ILE A 66 -11.700 -15.442 5.501 1.00 1.89 C ATOM 0 H ILE A 66 -11.782 -12.431 4.898 1.00 1.03 H new ATOM 0 HA ILE A 66 -14.612 -12.530 5.371 1.00 1.14 H new ATOM 0 HB ILE A 66 -12.255 -13.518 7.028 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -13.817 -15.576 5.727 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -13.293 -14.411 4.528 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -13.905 -15.001 8.099 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -14.290 -13.285 8.367 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -15.205 -14.224 7.163 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -11.673 -16.229 4.748 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -10.952 -14.686 5.262 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -11.484 -15.869 6.480 1.00 1.89 H new ATOM 753 N LYS A 67 -12.681 -10.742 7.384 1.00 1.10 N ATOM 754 CA LYS A 67 -12.702 -9.736 8.444 1.00 1.15 C ATOM 755 C LYS A 67 -13.263 -8.402 7.950 1.00 1.13 C ATOM 756 O LYS A 67 -13.684 -7.567 8.750 1.00 1.27 O ATOM 757 CB LYS A 67 -11.300 -9.536 9.026 1.00 1.21 C ATOM 758 CG LYS A 67 -10.373 -8.714 8.143 1.00 1.50 C ATOM 759 CD LYS A 67 -9.153 -8.233 8.912 1.00 1.90 C ATOM 760 CE LYS A 67 -8.175 -9.369 9.179 1.00 2.46 C ATOM 761 NZ LYS A 67 -8.052 -9.668 10.629 1.00 2.99 N ATOM 0 H LYS A 67 -11.746 -11.003 7.070 1.00 1.10 H new ATOM 0 HA LYS A 67 -13.363 -10.105 9.228 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -11.387 -9.048 9.997 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -10.848 -10.512 9.200 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -10.054 -9.314 7.291 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -10.915 -7.856 7.744 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -8.653 -7.447 8.347 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -9.469 -7.794 9.858 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -8.506 -10.264 8.651 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -7.196 -9.106 8.779 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -7.377 -10.447 10.767 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -7.712 -8.823 11.130 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -8.981 -9.944 11.007 1.00 2.99 H new ATOM 775 N LEU A 68 -13.262 -8.198 6.640 1.00 1.02 N ATOM 776 CA LEU A 68 -13.792 -6.962 6.074 1.00 1.03 C ATOM 777 C LEU A 68 -15.102 -7.211 5.326 1.00 1.05 C ATOM 778 O LEU A 68 -15.714 -6.279 4.803 1.00 1.10 O ATOM 779 CB LEU A 68 -12.759 -6.318 5.148 1.00 1.02 C ATOM 780 CG LEU A 68 -12.393 -4.867 5.490 1.00 1.07 C ATOM 781 CD1 LEU A 68 -12.020 -4.732 6.959 1.00 1.61 C ATOM 782 CD2 LEU A 68 -11.254 -4.383 4.605 1.00 1.66 C ATOM 0 H LEU A 68 -12.905 -8.863 5.954 1.00 1.02 H new ATOM 0 HA LEU A 68 -14.003 -6.277 6.896 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.851 -6.920 5.168 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -13.140 -6.349 4.127 1.00 1.02 H new ATOM 0 HG LEU A 68 -13.268 -4.244 5.304 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -11.765 -3.695 7.176 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -12.864 -5.035 7.578 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -11.163 -5.370 7.177 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -11.007 -3.353 4.861 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -10.379 -5.015 4.760 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -11.558 -4.434 3.560 1.00 1.66 H new ATOM 794 N ASN A 69 -15.521 -8.476 5.299 1.00 1.06 N ATOM 795 CA ASN A 69 -16.768 -8.895 4.651 1.00 1.12 C ATOM 796 C ASN A 69 -16.761 -8.609 3.150 1.00 1.09 C ATOM 797 O ASN A 69 -17.755 -8.147 2.582 1.00 1.15 O ATOM 798 CB ASN A 69 -17.975 -8.242 5.318 1.00 1.24 C ATOM 799 CG ASN A 69 -19.196 -9.141 5.291 1.00 1.34 C ATOM 800 OD1 ASN A 69 -20.241 -8.779 4.749 1.00 1.74 O ATOM 801 ND2 ASN A 69 -19.080 -10.315 5.894 1.00 1.55 N ATOM 0 H ASN A 69 -15.004 -9.244 5.727 1.00 1.06 H new ATOM 0 HA ASN A 69 -16.845 -9.975 4.775 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -17.729 -7.996 6.351 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -18.205 -7.304 4.813 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -19.874 -10.955 5.921 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -18.197 -10.579 6.332 1.00 1.55 H new ATOM 808 N LEU A 70 -15.635 -8.896 2.509 1.00 1.04 N ATOM 809 CA LEU A 70 -15.497 -8.742 1.068 1.00 1.01 C ATOM 810 C LEU A 70 -15.003 -10.041 0.431 1.00 0.99 C ATOM 811 O LEU A 70 -13.875 -10.105 -0.054 1.00 0.95 O ATOM 812 CB LEU A 70 -14.526 -7.610 0.736 1.00 1.01 C ATOM 813 CG LEU A 70 -14.472 -6.480 1.752 1.00 1.13 C ATOM 814 CD1 LEU A 70 -13.132 -5.787 1.672 1.00 1.61 C ATOM 815 CD2 LEU A 70 -15.610 -5.500 1.521 1.00 1.54 C ATOM 0 H LEU A 70 -14.794 -9.241 2.973 1.00 1.04 H new ATOM 0 HA LEU A 70 -16.479 -8.498 0.663 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -13.526 -8.031 0.632 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -14.799 -7.192 -0.233 1.00 1.01 H new ATOM 0 HG LEU A 70 -14.590 -6.894 2.754 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -13.097 -4.978 2.401 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -12.339 -6.503 1.886 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -12.992 -5.379 0.671 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -15.555 -4.698 2.258 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -15.529 -5.078 0.519 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -16.563 -6.019 1.620 1.00 1.54 H new ATOM 827 N PRO A 71 -15.829 -11.103 0.423 1.00 1.06 N ATOM 828 CA PRO A 71 -15.446 -12.383 -0.180 1.00 1.11 C ATOM 829 C PRO A 71 -15.419 -12.308 -1.703 1.00 1.05 C ATOM 830 O PRO A 71 -14.689 -13.049 -2.364 1.00 1.09 O ATOM 831 CB PRO A 71 -16.542 -13.341 0.291 1.00 1.28 C ATOM 832 CG PRO A 71 -17.724 -12.475 0.553 1.00 1.30 C ATOM 833 CD PRO A 71 -17.183 -11.147 1.004 1.00 1.18 C ATOM 0 HA PRO A 71 -14.443 -12.693 0.112 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -16.763 -14.092 -0.468 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -16.238 -13.877 1.190 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.330 -12.363 -0.346 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.365 -12.913 1.318 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.799 -10.322 0.646 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.154 -11.075 2.091 1.00 1.18 H new ATOM 841 N ASP A 72 -16.209 -11.389 -2.250 1.00 1.04 N ATOM 842 CA ASP A 72 -16.308 -11.213 -3.696 1.00 1.07 C ATOM 843 C ASP A 72 -15.188 -10.316 -4.201 1.00 0.94 C ATOM 844 O ASP A 72 -15.030 -10.108 -5.406 1.00 0.95 O ATOM 845 CB ASP A 72 -17.670 -10.623 -4.073 1.00 1.24 C ATOM 846 CG ASP A 72 -18.804 -11.608 -3.871 1.00 1.49 C ATOM 847 OD1 ASP A 72 -18.862 -12.618 -4.601 1.00 1.93 O ATOM 848 OD2 ASP A 72 -19.643 -11.380 -2.973 1.00 1.97 O ATOM 0 H ASP A 72 -16.793 -10.751 -1.710 1.00 1.04 H new ATOM 0 HA ASP A 72 -16.210 -12.191 -4.168 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -17.855 -9.732 -3.473 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.649 -10.306 -5.116 1.00 1.24 H new ATOM 853 N TYR A 73 -14.400 -9.798 -3.267 1.00 0.87 N ATOM 854 CA TYR A 73 -13.264 -8.942 -3.592 1.00 0.79 C ATOM 855 C TYR A 73 -12.211 -9.730 -4.359 1.00 0.74 C ATOM 856 O TYR A 73 -11.522 -9.193 -5.226 1.00 0.73 O ATOM 857 CB TYR A 73 -12.656 -8.385 -2.301 1.00 0.78 C ATOM 858 CG TYR A 73 -11.768 -7.176 -2.493 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.304 -5.898 -2.549 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.395 -7.316 -2.632 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.495 -4.792 -2.736 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.580 -6.216 -2.819 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.136 -4.948 -2.821 1.00 0.94 C ATOM 864 OH TYR A 73 -9.321 -3.863 -3.054 1.00 1.13 O ATOM 0 H TYR A 73 -14.529 -9.958 -2.268 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.609 -8.118 -4.217 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.464 -8.121 -1.619 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -12.076 -9.172 -1.819 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.371 -5.764 -2.445 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.955 -8.302 -2.593 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -11.933 -3.808 -2.815 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.517 -6.344 -2.963 1.00 0.90 H new ATOM 0 HH TYR A 73 -9.804 -3.038 -2.838 1.00 1.13 H new ATOM 874 N HIS A 74 -12.136 -11.021 -4.065 1.00 0.79 N ATOM 875 CA HIS A 74 -11.075 -11.876 -4.580 1.00 0.80 C ATOM 876 C HIS A 74 -11.363 -12.331 -6.007 1.00 0.85 C ATOM 877 O HIS A 74 -10.598 -13.100 -6.591 1.00 0.91 O ATOM 878 CB HIS A 74 -10.905 -13.097 -3.671 1.00 0.89 C ATOM 879 CG HIS A 74 -10.288 -12.784 -2.339 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.832 -11.524 -2.034 1.00 0.91 N ATOM 881 CD2 HIS A 74 -10.073 -13.597 -1.278 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.352 -11.600 -0.807 1.00 0.78 C ATOM 883 NE2 HIS A 74 -9.475 -12.836 -0.308 1.00 0.82 N ATOM 0 H HIS A 74 -12.806 -11.503 -3.466 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.153 -11.295 -4.593 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -11.880 -13.556 -3.509 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -10.287 -13.835 -4.182 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -10.325 -14.645 -1.209 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.915 -10.769 -0.273 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -9.180 -13.151 0.616 1.00 0.82 H new ATOM 891 N LYS A 75 -12.461 -11.852 -6.571 1.00 0.89 N ATOM 892 CA LYS A 75 -12.845 -12.231 -7.918 1.00 0.97 C ATOM 893 C LYS A 75 -12.375 -11.177 -8.904 1.00 0.92 C ATOM 894 O LYS A 75 -11.714 -11.484 -9.894 1.00 1.11 O ATOM 895 CB LYS A 75 -14.360 -12.404 -8.016 1.00 1.09 C ATOM 896 CG LYS A 75 -14.966 -13.147 -6.840 1.00 1.20 C ATOM 897 CD LYS A 75 -16.481 -13.053 -6.846 1.00 1.68 C ATOM 898 CE LYS A 75 -17.095 -14.094 -7.759 1.00 2.05 C ATOM 899 NZ LYS A 75 -18.467 -13.715 -8.188 1.00 2.86 N ATOM 0 H LYS A 75 -13.100 -11.201 -6.116 1.00 0.89 H new ATOM 0 HA LYS A 75 -12.373 -13.183 -8.161 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -14.825 -11.421 -8.092 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -14.597 -12.941 -8.935 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -14.665 -14.194 -6.875 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -14.578 -12.735 -5.908 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -16.859 -13.187 -5.833 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -16.784 -12.058 -7.171 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -16.463 -14.225 -8.637 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -17.128 -15.054 -7.244 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -18.852 -14.453 -8.811 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -19.077 -13.615 -7.352 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -18.433 -12.811 -8.702 1.00 2.86 H new ATOM 913 N ILE A 76 -12.704 -9.929 -8.615 1.00 0.78 N ATOM 914 CA ILE A 76 -12.323 -8.828 -9.478 1.00 0.77 C ATOM 915 C ILE A 76 -10.884 -8.406 -9.203 1.00 0.69 C ATOM 916 O ILE A 76 -10.094 -8.207 -10.127 1.00 0.78 O ATOM 917 CB ILE A 76 -13.266 -7.619 -9.298 1.00 0.82 C ATOM 918 CG1 ILE A 76 -14.682 -7.986 -9.745 1.00 0.94 C ATOM 919 CG2 ILE A 76 -12.756 -6.413 -10.078 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.703 -7.930 -8.630 1.00 1.00 C ATOM 0 H ILE A 76 -13.235 -9.655 -7.788 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.404 -9.175 -10.508 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.289 -7.353 -8.241 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -14.989 -7.309 -10.542 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -14.672 -8.991 -10.167 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -13.437 -5.574 -9.936 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -11.764 -6.140 -9.719 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -12.703 -6.661 -11.138 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.684 -8.202 -9.021 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.420 -8.628 -7.842 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.742 -6.920 -8.223 1.00 1.00 H new ATOM 932 N ILE A 77 -10.542 -8.292 -7.930 1.00 0.58 N ATOM 933 CA ILE A 77 -9.207 -7.874 -7.542 1.00 0.53 C ATOM 934 C ILE A 77 -8.298 -9.091 -7.405 1.00 0.64 C ATOM 935 O ILE A 77 -8.598 -10.020 -6.658 1.00 0.75 O ATOM 936 CB ILE A 77 -9.235 -7.071 -6.221 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.148 -5.846 -6.371 1.00 0.47 C ATOM 938 CG2 ILE A 77 -7.835 -6.641 -5.817 1.00 0.44 C ATOM 939 CD1 ILE A 77 -9.782 -4.948 -7.536 1.00 0.50 C ATOM 0 H ILE A 77 -11.170 -8.483 -7.149 1.00 0.58 H new ATOM 0 HA ILE A 77 -8.814 -7.222 -8.322 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.630 -7.714 -5.435 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.177 -6.184 -6.495 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.113 -5.263 -5.450 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.882 -6.078 -4.885 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.210 -7.523 -5.677 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.407 -6.013 -6.599 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.472 -4.105 -7.576 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -8.765 -4.579 -7.405 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -9.846 -5.514 -8.465 1.00 0.50 H new ATOM 951 N LYS A 78 -7.197 -9.088 -8.146 1.00 0.74 N ATOM 952 CA LYS A 78 -6.302 -10.239 -8.180 1.00 0.90 C ATOM 953 C LYS A 78 -5.285 -10.182 -7.049 1.00 0.73 C ATOM 954 O LYS A 78 -4.916 -11.211 -6.486 1.00 0.72 O ATOM 955 CB LYS A 78 -5.588 -10.321 -9.529 1.00 1.16 C ATOM 956 CG LYS A 78 -6.313 -11.198 -10.538 1.00 1.45 C ATOM 957 CD LYS A 78 -6.310 -10.572 -11.923 1.00 1.67 C ATOM 958 CE LYS A 78 -7.586 -9.789 -12.192 1.00 1.72 C ATOM 959 NZ LYS A 78 -7.366 -8.689 -13.166 1.00 1.99 N ATOM 0 H LYS A 78 -6.903 -8.305 -8.730 1.00 0.74 H new ATOM 0 HA LYS A 78 -6.907 -11.136 -8.045 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -5.484 -9.317 -9.939 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -4.581 -10.710 -9.377 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -5.837 -12.177 -10.579 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -7.341 -11.357 -10.212 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -5.450 -9.910 -12.021 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -6.198 -11.353 -12.675 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -8.352 -10.464 -12.573 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -7.962 -9.376 -11.256 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -8.259 -8.180 -13.322 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -6.653 -8.031 -12.791 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -7.031 -9.085 -14.067 1.00 1.99 H new ATOM 973 N ASN A 79 -4.832 -8.981 -6.721 1.00 0.67 N ATOM 974 CA ASN A 79 -3.912 -8.798 -5.606 1.00 0.56 C ATOM 975 C ASN A 79 -4.605 -8.036 -4.490 1.00 0.54 C ATOM 976 O ASN A 79 -4.577 -6.805 -4.466 1.00 0.52 O ATOM 977 CB ASN A 79 -2.637 -8.043 -6.019 1.00 0.60 C ATOM 978 CG ASN A 79 -2.439 -7.945 -7.517 1.00 1.09 C ATOM 979 OD1 ASN A 79 -3.085 -7.143 -8.192 1.00 2.05 O ATOM 980 ND2 ASN A 79 -1.530 -8.746 -8.045 1.00 1.28 N ATOM 0 H ASN A 79 -5.085 -8.121 -7.208 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.616 -9.790 -5.264 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -2.671 -7.037 -5.600 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -1.773 -8.542 -5.580 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -1.342 -8.714 -9.047 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -1.016 -9.396 -7.450 1.00 1.28 H new ATOM 987 N PRO A 80 -5.249 -8.756 -3.558 1.00 0.58 N ATOM 988 CA PRO A 80 -5.980 -8.147 -2.443 1.00 0.60 C ATOM 989 C PRO A 80 -5.040 -7.480 -1.441 1.00 0.55 C ATOM 990 O PRO A 80 -4.615 -8.092 -0.461 1.00 0.64 O ATOM 991 CB PRO A 80 -6.711 -9.330 -1.791 1.00 0.70 C ATOM 992 CG PRO A 80 -6.580 -10.469 -2.744 1.00 0.89 C ATOM 993 CD PRO A 80 -5.318 -10.224 -3.510 1.00 0.67 C ATOM 0 HA PRO A 80 -6.652 -7.358 -2.780 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.270 -9.577 -0.825 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.759 -9.090 -1.611 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -6.535 -11.419 -2.212 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -7.439 -10.518 -3.413 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.450 -10.654 -3.009 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -5.359 -10.660 -4.508 1.00 0.67 H new ATOM 1001 N MET A 81 -4.714 -6.226 -1.702 1.00 0.46 N ATOM 1002 CA MET A 81 -3.774 -5.485 -0.873 1.00 0.43 C ATOM 1003 C MET A 81 -4.402 -4.209 -0.360 1.00 0.43 C ATOM 1004 O MET A 81 -5.425 -3.750 -0.868 1.00 0.55 O ATOM 1005 CB MET A 81 -2.504 -5.160 -1.664 1.00 0.44 C ATOM 1006 CG MET A 81 -1.803 -6.386 -2.224 1.00 0.74 C ATOM 1007 SD MET A 81 -0.531 -7.021 -1.118 1.00 0.82 S ATOM 1008 CE MET A 81 -1.188 -8.650 -0.766 1.00 0.70 C ATOM 0 H MET A 81 -5.089 -5.694 -2.488 1.00 0.46 H new ATOM 0 HA MET A 81 -3.510 -6.110 -0.020 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.760 -4.491 -2.486 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.812 -4.620 -1.018 1.00 0.44 H new ATOM 0 HG2 MET A 81 -2.540 -7.167 -2.411 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.352 -6.136 -3.184 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.465 -9.215 -0.178 1.00 0.70 H new ATOM 0 HE2 MET A 81 -2.117 -8.554 -0.204 1.00 0.70 H new ATOM 0 HE3 MET A 81 -1.383 -9.174 -1.702 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.756 -3.650 0.638 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.218 -2.459 1.315 1.00 0.36 C ATOM 1020 C ASP A 82 -2.983 -1.642 1.656 1.00 0.35 C ATOM 1021 O ASP A 82 -2.005 -1.682 0.915 1.00 0.53 O ATOM 1022 CB ASP A 82 -5.008 -2.853 2.576 1.00 0.38 C ATOM 1023 CG ASP A 82 -5.750 -1.696 3.214 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -6.826 -1.322 2.716 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -5.238 -1.171 4.227 1.00 1.32 O ATOM 0 H ASP A 82 -2.879 -4.017 1.009 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.890 -1.871 0.690 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.723 -3.634 2.317 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -4.321 -3.280 3.306 1.00 0.38 H new ATOM 1030 N MET A 83 -2.981 -0.968 2.780 1.00 0.27 N ATOM 1031 CA MET A 83 -1.822 -0.207 3.193 1.00 0.26 C ATOM 1032 C MET A 83 -1.177 -0.933 4.345 1.00 0.25 C ATOM 1033 O MET A 83 0.002 -0.743 4.648 1.00 0.26 O ATOM 1034 CB MET A 83 -2.201 1.216 3.601 1.00 0.31 C ATOM 1035 CG MET A 83 -1.254 2.270 3.057 1.00 0.43 C ATOM 1036 SD MET A 83 -0.803 3.512 4.287 1.00 0.80 S ATOM 1037 CE MET A 83 -2.421 4.078 4.814 1.00 0.38 C ATOM 0 H MET A 83 -3.768 -0.929 3.427 1.00 0.27 H new ATOM 0 HA MET A 83 -1.127 -0.121 2.358 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.211 1.430 3.251 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.220 1.282 4.689 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.350 1.784 2.690 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.719 2.763 2.204 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.416 5.165 4.900 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.169 3.775 4.081 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.663 3.639 5.782 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.961 -1.819 4.946 1.00 0.26 N ATOM 1048 CA GLY A 84 -1.458 -2.626 6.026 1.00 0.29 C ATOM 1049 C GLY A 84 -0.564 -3.698 5.473 1.00 0.26 C ATOM 1050 O GLY A 84 0.346 -4.184 6.142 1.00 0.32 O ATOM 0 H GLY A 84 -2.936 -1.989 4.700 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.906 -2.005 6.732 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -2.286 -3.075 6.575 1.00 0.29 H new ATOM 1054 N THR A 85 -0.824 -4.050 4.224 1.00 0.24 N ATOM 1055 CA THR A 85 -0.021 -5.023 3.532 1.00 0.25 C ATOM 1056 C THR A 85 1.217 -4.379 2.925 1.00 0.26 C ATOM 1057 O THR A 85 2.296 -4.974 2.918 1.00 0.32 O ATOM 1058 CB THR A 85 -0.833 -5.729 2.438 1.00 0.27 C ATOM 1059 OG1 THR A 85 -2.195 -5.272 2.477 1.00 0.95 O ATOM 1060 CG2 THR A 85 -0.794 -7.233 2.635 1.00 0.84 C ATOM 0 H THR A 85 -1.593 -3.668 3.673 1.00 0.24 H new ATOM 0 HA THR A 85 0.297 -5.765 4.264 1.00 0.25 H new ATOM 0 HB THR A 85 -0.395 -5.491 1.468 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.771 -5.921 2.022 1.00 0.95 H new ATOM 0 HG21 THR A 85 -1.375 -7.718 1.850 1.00 0.84 H new ATOM 0 HG22 THR A 85 0.238 -7.579 2.589 1.00 0.84 H new ATOM 0 HG23 THR A 85 -1.218 -7.484 3.608 1.00 0.84 H new ATOM 1068 N ILE A 86 1.054 -3.158 2.428 1.00 0.27 N ATOM 1069 CA ILE A 86 2.167 -2.410 1.854 1.00 0.31 C ATOM 1070 C ILE A 86 3.236 -2.183 2.916 1.00 0.29 C ATOM 1071 O ILE A 86 4.414 -2.473 2.705 1.00 0.32 O ATOM 1072 CB ILE A 86 1.717 -1.037 1.279 1.00 0.36 C ATOM 1073 CG1 ILE A 86 0.893 -1.182 -0.014 1.00 0.55 C ATOM 1074 CG2 ILE A 86 2.928 -0.156 1.013 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.763 -2.600 -0.533 1.00 0.97 C ATOM 0 H ILE A 86 0.161 -2.665 2.411 1.00 0.27 H new ATOM 0 HA ILE A 86 2.568 -3.002 1.031 1.00 0.31 H new ATOM 0 HB ILE A 86 1.076 -0.574 2.029 1.00 0.36 H new ATOM 0 HG12 ILE A 86 -0.106 -0.782 0.162 1.00 0.55 H new ATOM 0 HG13 ILE A 86 1.350 -0.567 -0.790 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.599 0.802 0.611 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.470 0.008 1.944 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.583 -0.646 0.293 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.167 -2.600 -1.445 1.00 0.97 H new ATOM 0 HD12 ILE A 86 1.754 -3.001 -0.747 1.00 0.97 H new ATOM 0 HD13 ILE A 86 0.275 -3.220 0.220 1.00 0.97 H new ATOM 1087 N LYS A 87 2.808 -1.689 4.073 1.00 0.29 N ATOM 1088 CA LYS A 87 3.724 -1.426 5.171 1.00 0.34 C ATOM 1089 C LYS A 87 4.312 -2.725 5.716 1.00 0.34 C ATOM 1090 O LYS A 87 5.421 -2.729 6.250 1.00 0.38 O ATOM 1091 CB LYS A 87 3.020 -0.632 6.284 1.00 0.41 C ATOM 1092 CG LYS A 87 2.309 -1.494 7.321 1.00 0.49 C ATOM 1093 CD LYS A 87 2.728 -1.120 8.734 1.00 0.69 C ATOM 1094 CE LYS A 87 2.231 -2.132 9.755 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.244 -2.402 10.809 1.00 1.15 N ATOM 0 H LYS A 87 1.833 -1.464 4.272 1.00 0.29 H new ATOM 0 HA LYS A 87 4.547 -0.822 4.790 1.00 0.34 H new ATOM 0 HB2 LYS A 87 3.757 -0.009 6.791 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.293 0.041 5.829 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.230 -1.376 7.216 1.00 0.49 H new ATOM 0 HG3 LYS A 87 2.534 -2.545 7.139 1.00 0.49 H new ATOM 0 HD2 LYS A 87 3.815 -1.055 8.786 1.00 0.69 H new ATOM 0 HD3 LYS A 87 2.337 -0.133 8.980 1.00 0.69 H new ATOM 0 HE2 LYS A 87 1.316 -1.761 10.218 1.00 1.08 H new ATOM 0 HE3 LYS A 87 1.977 -3.063 9.249 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 3.630 -3.359 10.682 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 4.014 -1.706 10.737 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 2.798 -2.330 11.746 1.00 1.15 H new ATOM 1109 N LYS A 88 3.582 -3.833 5.560 1.00 0.35 N ATOM 1110 CA LYS A 88 4.046 -5.121 6.057 1.00 0.39 C ATOM 1111 C LYS A 88 5.268 -5.591 5.277 1.00 0.41 C ATOM 1112 O LYS A 88 6.295 -5.928 5.863 1.00 0.46 O ATOM 1113 CB LYS A 88 2.933 -6.166 5.969 1.00 0.42 C ATOM 1114 CG LYS A 88 3.084 -7.302 6.969 1.00 0.73 C ATOM 1115 CD LYS A 88 2.763 -6.845 8.384 1.00 1.26 C ATOM 1116 CE LYS A 88 3.553 -7.633 9.420 1.00 1.68 C ATOM 1117 NZ LYS A 88 4.050 -6.765 10.521 1.00 2.46 N ATOM 0 H LYS A 88 2.674 -3.859 5.096 1.00 0.35 H new ATOM 0 HA LYS A 88 4.327 -4.998 7.103 1.00 0.39 H new ATOM 0 HB2 LYS A 88 1.973 -5.676 6.130 1.00 0.42 H new ATOM 0 HB3 LYS A 88 2.914 -6.580 4.961 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.422 -8.123 6.692 1.00 0.73 H new ATOM 0 HG3 LYS A 88 4.103 -7.688 6.932 1.00 0.73 H new ATOM 0 HD2 LYS A 88 2.988 -5.783 8.484 1.00 1.26 H new ATOM 0 HD3 LYS A 88 1.696 -6.963 8.572 1.00 1.26 H new ATOM 0 HE2 LYS A 88 2.923 -8.420 9.835 1.00 1.68 H new ATOM 0 HE3 LYS A 88 4.397 -8.123 8.936 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 4.653 -7.324 11.158 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 4.603 -5.980 10.122 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 3.242 -6.384 11.054 1.00 2.46 H new ATOM 1131 N ARG A 89 5.159 -5.591 3.954 1.00 0.40 N ATOM 1132 CA ARG A 89 6.250 -6.035 3.096 1.00 0.44 C ATOM 1133 C ARG A 89 7.430 -5.070 3.176 1.00 0.43 C ATOM 1134 O ARG A 89 8.574 -5.444 2.909 1.00 0.48 O ATOM 1135 CB ARG A 89 5.767 -6.159 1.650 1.00 0.47 C ATOM 1136 CG ARG A 89 4.463 -6.927 1.504 1.00 0.68 C ATOM 1137 CD ARG A 89 4.570 -8.023 0.456 1.00 0.64 C ATOM 1138 NE ARG A 89 5.002 -7.507 -0.844 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.171 -7.058 -1.785 1.00 0.78 C ATOM 1140 NH1 ARG A 89 2.858 -7.026 -1.574 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.659 -6.647 -2.943 1.00 1.03 N ATOM 0 H ARG A 89 4.325 -5.288 3.452 1.00 0.40 H new ATOM 0 HA ARG A 89 6.583 -7.013 3.444 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.639 -5.160 1.232 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.538 -6.655 1.060 1.00 0.47 H new ATOM 0 HG2 ARG A 89 4.190 -7.366 2.463 1.00 0.68 H new ATOM 0 HG3 ARG A 89 3.664 -6.238 1.230 1.00 0.68 H new ATOM 0 HD2 ARG A 89 5.276 -8.781 0.797 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.603 -8.514 0.347 1.00 0.64 H new ATOM 0 HE ARG A 89 6.002 -7.490 -1.043 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.476 -7.347 -0.684 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.233 -6.680 -2.302 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.665 -6.675 -3.111 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.030 -6.302 -3.668 1.00 1.03 H new ATOM 1155 N LEU A 90 7.141 -3.828 3.546 1.00 0.40 N ATOM 1156 CA LEU A 90 8.170 -2.814 3.715 1.00 0.41 C ATOM 1157 C LEU A 90 8.979 -3.062 4.980 1.00 0.44 C ATOM 1158 O LEU A 90 10.193 -3.257 4.926 1.00 0.49 O ATOM 1159 CB LEU A 90 7.538 -1.427 3.798 1.00 0.39 C ATOM 1160 CG LEU A 90 7.652 -0.580 2.536 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.780 0.659 2.651 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.101 -0.190 2.273 1.00 0.45 C ATOM 0 H LEU A 90 6.194 -3.499 3.736 1.00 0.40 H new ATOM 0 HA LEU A 90 8.832 -2.869 2.851 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.482 -1.542 4.044 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.001 -0.884 4.622 1.00 0.39 H new ATOM 0 HG LEU A 90 7.303 -1.175 1.692 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.872 1.254 1.742 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.740 0.361 2.786 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.102 1.252 3.507 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.157 0.414 1.367 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.482 0.385 3.117 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.703 -1.090 2.146 1.00 0.45 H new ATOM 1174 N GLU A 91 8.289 -3.066 6.114 1.00 0.45 N ATOM 1175 CA GLU A 91 8.944 -3.184 7.411 1.00 0.50 C ATOM 1176 C GLU A 91 9.591 -4.555 7.577 1.00 0.54 C ATOM 1177 O GLU A 91 10.672 -4.675 8.157 1.00 0.64 O ATOM 1178 CB GLU A 91 7.941 -2.930 8.542 1.00 0.53 C ATOM 1179 CG GLU A 91 6.892 -4.022 8.692 1.00 0.76 C ATOM 1180 CD GLU A 91 5.861 -3.711 9.752 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.112 -2.830 10.596 1.00 1.23 O ATOM 1182 OE2 GLU A 91 4.787 -4.349 9.752 1.00 1.39 O ATOM 0 H GLU A 91 7.273 -2.989 6.162 1.00 0.45 H new ATOM 0 HA GLU A 91 9.729 -2.430 7.461 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.485 -2.831 9.481 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.439 -1.979 8.362 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.389 -4.168 7.736 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.387 -4.961 8.939 1.00 0.76 H new ATOM 1189 N ASN A 92 8.934 -5.586 7.053 1.00 0.51 N ATOM 1190 CA ASN A 92 9.439 -6.945 7.164 1.00 0.57 C ATOM 1191 C ASN A 92 10.535 -7.193 6.142 1.00 0.60 C ATOM 1192 O ASN A 92 11.149 -8.260 6.132 1.00 0.68 O ATOM 1193 CB ASN A 92 8.311 -7.960 6.979 1.00 0.60 C ATOM 1194 CG ASN A 92 8.512 -9.202 7.827 1.00 0.69 C ATOM 1195 OD1 ASN A 92 8.540 -9.133 9.055 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.652 -10.348 7.179 1.00 1.30 N ATOM 0 H ASN A 92 8.052 -5.503 6.548 1.00 0.51 H new ATOM 0 HA ASN A 92 9.857 -7.068 8.163 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.360 -7.495 7.239 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.250 -8.245 5.929 1.00 0.60 H new ATOM 0 HD21 ASN A 92 8.789 -11.215 7.699 1.00 1.30 H new ATOM 0 HD22 ASN A 92 8.623 -10.364 6.160 1.00 1.30 H new ATOM 1203 N ASN A 93 10.773 -6.196 5.289 1.00 0.58 N ATOM 1204 CA ASN A 93 11.844 -6.250 4.303 1.00 0.62 C ATOM 1205 C ASN A 93 11.671 -7.459 3.381 1.00 0.66 C ATOM 1206 O ASN A 93 12.393 -8.451 3.481 1.00 0.77 O ATOM 1207 CB ASN A 93 13.198 -6.282 5.025 1.00 0.70 C ATOM 1208 CG ASN A 93 14.379 -6.402 4.089 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.120 -7.381 4.142 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.574 -5.406 3.239 1.00 1.22 N ATOM 0 H ASN A 93 10.229 -5.333 5.265 1.00 0.58 H new ATOM 0 HA ASN A 93 11.805 -5.359 3.676 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.306 -5.374 5.618 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.210 -7.121 5.721 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.364 -5.433 2.595 1.00 1.22 H new ATOM 0 HD22 ASN A 93 13.934 -4.612 3.229 1.00 1.22 H new ATOM 1217 N TYR A 94 10.681 -7.384 2.505 1.00 0.61 N ATOM 1218 CA TYR A 94 10.429 -8.465 1.567 1.00 0.67 C ATOM 1219 C TYR A 94 11.135 -8.211 0.238 1.00 0.70 C ATOM 1220 O TYR A 94 11.826 -9.089 -0.282 1.00 0.79 O ATOM 1221 CB TYR A 94 8.928 -8.647 1.334 1.00 0.71 C ATOM 1222 CG TYR A 94 8.619 -9.525 0.144 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.985 -10.862 0.133 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.988 -9.007 -0.977 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.728 -11.664 -0.959 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.730 -9.798 -2.079 1.00 0.81 C ATOM 1227 CZ TYR A 94 8.100 -11.126 -2.066 1.00 0.85 C ATOM 1228 OH TYR A 94 7.859 -11.910 -3.170 1.00 0.96 O ATOM 0 H TYR A 94 10.044 -6.592 2.424 1.00 0.61 H new ATOM 0 HA TYR A 94 10.828 -9.380 2.004 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.477 -9.081 2.226 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.467 -7.670 1.188 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.480 -11.283 0.995 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.694 -7.968 -0.988 1.00 0.74 H new ATOM 0 HE1 TYR A 94 9.015 -12.705 -0.949 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.241 -9.379 -2.946 1.00 0.81 H new ATOM 0 HH TYR A 94 7.360 -12.709 -2.901 1.00 0.96 H new ATOM 1238 N TYR A 95 10.955 -7.019 -0.316 1.00 0.77 N ATOM 1239 CA TYR A 95 11.550 -6.695 -1.606 1.00 0.88 C ATOM 1240 C TYR A 95 12.867 -5.959 -1.427 1.00 0.75 C ATOM 1241 O TYR A 95 13.295 -5.694 -0.302 1.00 1.04 O ATOM 1242 CB TYR A 95 10.604 -5.864 -2.480 1.00 1.17 C ATOM 1243 CG TYR A 95 9.526 -5.122 -1.727 1.00 0.95 C ATOM 1244 CD1 TYR A 95 9.833 -4.028 -0.927 1.00 1.05 C ATOM 1245 CD2 TYR A 95 8.201 -5.512 -1.827 1.00 0.92 C ATOM 1246 CE1 TYR A 95 8.843 -3.346 -0.246 1.00 1.09 C ATOM 1247 CE2 TYR A 95 7.206 -4.836 -1.152 1.00 0.96 C ATOM 1248 CZ TYR A 95 7.530 -3.756 -0.362 1.00 1.04 C ATOM 1249 OH TYR A 95 6.536 -3.090 0.316 1.00 1.28 O ATOM 0 H TYR A 95 10.407 -6.267 0.103 1.00 0.77 H new ATOM 0 HA TYR A 95 11.737 -7.641 -2.115 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.195 -5.142 -3.044 1.00 1.17 H new ATOM 0 HB3 TYR A 95 10.130 -6.525 -3.206 1.00 1.17 H new ATOM 0 HD1 TYR A 95 10.860 -3.706 -0.836 1.00 1.05 H new ATOM 0 HD2 TYR A 95 7.942 -6.360 -2.444 1.00 0.92 H new ATOM 0 HE1 TYR A 95 9.095 -2.498 0.373 1.00 1.09 H new ATOM 0 HE2 TYR A 95 6.177 -5.152 -1.243 1.00 0.96 H new ATOM 0 HH TYR A 95 6.473 -2.170 -0.017 1.00 1.28 H new ATOM 1259 N TRP A 96 13.487 -5.612 -2.542 1.00 0.72 N ATOM 1260 CA TRP A 96 14.812 -5.018 -2.526 1.00 0.65 C ATOM 1261 C TRP A 96 14.759 -3.520 -2.259 1.00 0.61 C ATOM 1262 O TRP A 96 15.517 -3.002 -1.444 1.00 0.64 O ATOM 1263 CB TRP A 96 15.514 -5.282 -3.855 1.00 0.68 C ATOM 1264 CG TRP A 96 17.005 -5.232 -3.755 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.770 -4.139 -3.464 1.00 0.70 C ATOM 1266 CD2 TRP A 96 17.915 -6.318 -3.948 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.094 -4.487 -3.450 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.211 -5.816 -3.753 1.00 0.86 C ATOM 1269 CE3 TRP A 96 17.758 -7.668 -4.269 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.348 -6.613 -3.864 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 18.886 -8.459 -4.380 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.166 -7.929 -4.179 1.00 1.05 C ATOM 0 H TRP A 96 13.091 -5.732 -3.474 1.00 0.72 H new ATOM 0 HA TRP A 96 15.372 -5.480 -1.713 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.214 -6.261 -4.228 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.181 -4.546 -4.587 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.387 -3.147 -3.273 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.869 -3.856 -3.246 1.00 0.79 H new ATOM 0 HE3 TRP A 96 16.775 -8.086 -4.427 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.336 -6.206 -3.707 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 18.778 -9.505 -4.626 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.027 -8.574 -4.275 1.00 1.05 H new ATOM 1283 N SER A 97 13.875 -2.823 -2.946 1.00 0.60 N ATOM 1284 CA SER A 97 13.848 -1.377 -2.853 1.00 0.56 C ATOM 1285 C SER A 97 12.416 -0.851 -2.941 1.00 0.54 C ATOM 1286 O SER A 97 11.477 -1.608 -3.213 1.00 0.55 O ATOM 1287 CB SER A 97 14.743 -0.788 -3.953 1.00 0.58 C ATOM 1288 OG SER A 97 14.544 0.608 -4.116 1.00 1.00 O ATOM 0 H SER A 97 13.175 -3.228 -3.567 1.00 0.60 H new ATOM 0 HA SER A 97 14.236 -1.065 -1.884 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.788 -0.978 -3.709 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.538 -1.295 -4.896 1.00 0.58 H new ATOM 0 HG SER A 97 15.365 1.086 -3.876 1.00 1.00 H new ATOM 1294 N ALA A 98 12.255 0.449 -2.708 1.00 0.54 N ATOM 1295 CA ALA A 98 10.945 1.079 -2.677 1.00 0.56 C ATOM 1296 C ALA A 98 10.303 1.097 -4.057 1.00 0.52 C ATOM 1297 O ALA A 98 9.093 1.277 -4.179 1.00 0.53 O ATOM 1298 CB ALA A 98 11.044 2.488 -2.124 1.00 0.66 C ATOM 0 H ALA A 98 13.029 1.091 -2.536 1.00 0.54 H new ATOM 0 HA ALA A 98 10.309 0.486 -2.019 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.054 2.943 -2.109 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.443 2.454 -1.110 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.706 3.081 -2.755 1.00 0.66 H new ATOM 1304 N SER A 99 11.111 0.907 -5.093 1.00 0.52 N ATOM 1305 CA SER A 99 10.600 0.818 -6.451 1.00 0.54 C ATOM 1306 C SER A 99 9.643 -0.367 -6.572 1.00 0.48 C ATOM 1307 O SER A 99 8.647 -0.307 -7.293 1.00 0.50 O ATOM 1308 CB SER A 99 11.763 0.680 -7.434 1.00 0.62 C ATOM 1309 OG SER A 99 13.004 0.905 -6.778 1.00 0.85 O ATOM 0 H SER A 99 12.124 0.812 -5.016 1.00 0.52 H new ATOM 0 HA SER A 99 10.050 1.728 -6.691 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.755 -0.316 -7.877 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.643 1.393 -8.250 1.00 0.62 H new ATOM 0 HG SER A 99 13.015 1.809 -6.400 1.00 0.85 H new ATOM 1315 N GLU A 100 9.935 -1.428 -5.824 1.00 0.46 N ATOM 1316 CA GLU A 100 9.079 -2.603 -5.793 1.00 0.48 C ATOM 1317 C GLU A 100 7.828 -2.301 -4.981 1.00 0.44 C ATOM 1318 O GLU A 100 6.727 -2.732 -5.321 1.00 0.52 O ATOM 1319 CB GLU A 100 9.831 -3.787 -5.176 1.00 0.56 C ATOM 1320 CG GLU A 100 10.168 -4.890 -6.165 1.00 1.03 C ATOM 1321 CD GLU A 100 11.631 -5.288 -6.121 1.00 1.83 C ATOM 1322 OE1 GLU A 100 12.393 -4.666 -5.352 1.00 2.44 O ATOM 1323 OE2 GLU A 100 12.024 -6.224 -6.857 1.00 2.37 O ATOM 0 H GLU A 100 10.762 -1.495 -5.230 1.00 0.46 H new ATOM 0 HA GLU A 100 8.792 -2.863 -6.812 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.754 -3.423 -4.726 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.228 -4.207 -4.371 1.00 0.56 H new ATOM 0 HG2 GLU A 100 9.551 -5.763 -5.953 1.00 1.03 H new ATOM 0 HG3 GLU A 100 9.916 -4.559 -7.172 1.00 1.03 H new ATOM 1330 N CYS A 101 8.009 -1.534 -3.916 1.00 0.41 N ATOM 1331 CA CYS A 101 6.915 -1.179 -3.026 1.00 0.44 C ATOM 1332 C CYS A 101 5.916 -0.256 -3.716 1.00 0.38 C ATOM 1333 O CYS A 101 4.707 -0.397 -3.538 1.00 0.38 O ATOM 1334 CB CYS A 101 7.463 -0.501 -1.772 1.00 0.57 C ATOM 1335 SG CYS A 101 6.189 0.057 -0.623 1.00 0.95 S ATOM 0 H CYS A 101 8.912 -1.143 -3.646 1.00 0.41 H new ATOM 0 HA CYS A 101 6.395 -2.096 -2.749 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.125 -1.196 -1.255 1.00 0.57 H new ATOM 0 HB3 CYS A 101 8.069 0.355 -2.070 1.00 0.57 H new ATOM 0 HG CYS A 101 5.031 0.030 -1.213 1.00 0.95 H new ATOM 1341 N MET A 102 6.427 0.679 -4.508 1.00 0.39 N ATOM 1342 CA MET A 102 5.582 1.663 -5.174 1.00 0.44 C ATOM 1343 C MET A 102 4.641 0.988 -6.172 1.00 0.36 C ATOM 1344 O MET A 102 3.580 1.520 -6.494 1.00 0.39 O ATOM 1345 CB MET A 102 6.449 2.746 -5.840 1.00 0.58 C ATOM 1346 CG MET A 102 6.461 2.726 -7.361 1.00 0.75 C ATOM 1347 SD MET A 102 7.805 3.713 -8.058 1.00 1.02 S ATOM 1348 CE MET A 102 7.800 5.142 -6.969 1.00 1.13 C ATOM 0 H MET A 102 7.423 0.777 -4.705 1.00 0.39 H new ATOM 0 HA MET A 102 4.956 2.153 -4.428 1.00 0.44 H new ATOM 0 HB2 MET A 102 6.098 3.723 -5.509 1.00 0.58 H new ATOM 0 HB3 MET A 102 7.473 2.638 -5.484 1.00 0.58 H new ATOM 0 HG2 MET A 102 6.554 1.696 -7.706 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.508 3.102 -7.733 1.00 0.75 H new ATOM 0 HE1 MET A 102 8.505 5.885 -7.341 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.799 5.573 -6.939 1.00 1.13 H new ATOM 0 HE3 MET A 102 8.093 4.835 -5.965 1.00 1.13 H new ATOM 1358 N GLN A 103 5.021 -0.201 -6.628 1.00 0.34 N ATOM 1359 CA GLN A 103 4.168 -0.991 -7.506 1.00 0.36 C ATOM 1360 C GLN A 103 2.923 -1.461 -6.759 1.00 0.30 C ATOM 1361 O GLN A 103 1.804 -1.371 -7.268 1.00 0.31 O ATOM 1362 CB GLN A 103 4.939 -2.196 -8.051 1.00 0.43 C ATOM 1363 CG GLN A 103 5.980 -1.831 -9.095 1.00 1.36 C ATOM 1364 CD GLN A 103 5.397 -1.730 -10.489 1.00 2.17 C ATOM 1365 OE1 GLN A 103 4.179 -1.664 -10.666 1.00 2.70 O ATOM 1366 NE2 GLN A 103 6.262 -1.716 -11.491 1.00 2.96 N ATOM 0 H GLN A 103 5.915 -0.638 -6.403 1.00 0.34 H new ATOM 0 HA GLN A 103 3.858 -0.363 -8.342 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.431 -2.707 -7.223 1.00 0.43 H new ATOM 0 HB3 GLN A 103 4.232 -2.902 -8.486 1.00 0.43 H new ATOM 0 HG2 GLN A 103 6.439 -0.879 -8.827 1.00 1.36 H new ATOM 0 HG3 GLN A 103 6.772 -2.580 -9.090 1.00 1.36 H new ATOM 0 HE21 GLN A 103 7.263 -1.773 -11.302 1.00 2.96 H new ATOM 0 HE22 GLN A 103 5.928 -1.649 -12.452 1.00 2.96 H new ATOM 1375 N ASP A 104 3.115 -1.938 -5.534 1.00 0.30 N ATOM 1376 CA ASP A 104 2.001 -2.430 -4.729 1.00 0.32 C ATOM 1377 C ASP A 104 1.241 -1.266 -4.119 1.00 0.29 C ATOM 1378 O ASP A 104 0.035 -1.347 -3.897 1.00 0.31 O ATOM 1379 CB ASP A 104 2.489 -3.375 -3.635 1.00 0.48 C ATOM 1380 CG ASP A 104 2.542 -4.813 -4.102 1.00 0.88 C ATOM 1381 OD1 ASP A 104 3.422 -5.151 -4.918 1.00 1.09 O ATOM 1382 OD2 ASP A 104 1.686 -5.618 -3.671 1.00 1.87 O ATOM 0 H ASP A 104 4.026 -1.995 -5.078 1.00 0.30 H new ATOM 0 HA ASP A 104 1.330 -2.988 -5.382 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.481 -3.065 -3.306 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.828 -3.300 -2.771 1.00 0.48 H new ATOM 1387 N PHE A 105 1.958 -0.180 -3.863 1.00 0.30 N ATOM 1388 CA PHE A 105 1.341 1.062 -3.416 1.00 0.33 C ATOM 1389 C PHE A 105 0.366 1.561 -4.477 1.00 0.32 C ATOM 1390 O PHE A 105 -0.725 2.036 -4.169 1.00 0.38 O ATOM 1391 CB PHE A 105 2.412 2.118 -3.157 1.00 0.38 C ATOM 1392 CG PHE A 105 2.373 2.712 -1.775 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.209 3.279 -1.275 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.509 2.715 -0.982 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.182 3.833 -0.011 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.486 3.267 0.284 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.320 3.827 0.769 1.00 0.33 C ATOM 0 H PHE A 105 2.973 -0.134 -3.958 1.00 0.30 H new ATOM 0 HA PHE A 105 0.800 0.876 -2.488 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.393 1.672 -3.321 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.300 2.919 -3.888 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.315 3.287 -1.881 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.423 2.281 -1.358 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.270 4.271 0.367 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.378 3.261 0.893 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.299 4.260 1.758 1.00 0.33 H new ATOM 1407 N ASN A 106 0.772 1.442 -5.736 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.103 1.770 -6.854 1.00 0.34 C ATOM 1409 C ASN A 106 -1.238 0.756 -6.947 1.00 0.32 C ATOM 1410 O ASN A 106 -2.368 1.101 -7.297 1.00 0.38 O ATOM 1411 CB ASN A 106 0.689 1.798 -8.163 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.084 2.451 -9.296 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.431 3.632 -9.226 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.359 1.696 -10.351 1.00 0.97 N ATOM 0 H ASN A 106 1.701 1.121 -6.007 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.527 2.760 -6.685 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.624 2.337 -8.007 1.00 0.36 H new ATOM 0 HB3 ASN A 106 0.952 0.779 -8.447 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.874 2.089 -11.139 1.00 0.97 H new ATOM 0 HD22 ASN A 106 -0.056 0.722 -10.374 1.00 0.97 H new ATOM 1421 N THR A 107 -0.930 -0.494 -6.608 1.00 0.29 N ATOM 1422 CA THR A 107 -1.907 -1.576 -6.642 1.00 0.30 C ATOM 1423 C THR A 107 -3.050 -1.324 -5.653 1.00 0.26 C ATOM 1424 O THR A 107 -4.217 -1.367 -6.028 1.00 0.27 O ATOM 1425 CB THR A 107 -1.243 -2.933 -6.323 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.257 -3.249 -7.316 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.272 -4.052 -6.263 1.00 0.39 C ATOM 0 H THR A 107 -0.000 -0.783 -6.304 1.00 0.29 H new ATOM 0 HA THR A 107 -2.316 -1.608 -7.652 1.00 0.30 H new ATOM 0 HB THR A 107 -0.767 -2.846 -5.346 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.443 -2.564 -7.311 1.00 0.43 H new ATOM 0 HG21 THR A 107 -1.772 -4.994 -6.037 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.003 -3.833 -5.485 1.00 0.39 H new ATOM 0 HG23 THR A 107 -2.779 -4.132 -7.225 1.00 0.39 H new ATOM 1435 N MET A 108 -2.710 -1.046 -4.395 1.00 0.26 N ATOM 1436 CA MET A 108 -3.723 -0.814 -3.362 1.00 0.26 C ATOM 1437 C MET A 108 -4.625 0.367 -3.724 1.00 0.24 C ATOM 1438 O MET A 108 -5.815 0.373 -3.404 1.00 0.27 O ATOM 1439 CB MET A 108 -3.068 -0.575 -1.995 1.00 0.32 C ATOM 1440 CG MET A 108 -2.189 0.663 -1.937 1.00 0.62 C ATOM 1441 SD MET A 108 -2.046 1.356 -0.279 1.00 0.88 S ATOM 1442 CE MET A 108 -3.621 2.196 -0.128 1.00 0.83 C ATOM 0 H MET A 108 -1.747 -0.976 -4.066 1.00 0.26 H new ATOM 0 HA MET A 108 -4.339 -1.711 -3.303 1.00 0.26 H new ATOM 0 HB2 MET A 108 -3.849 -0.489 -1.240 1.00 0.32 H new ATOM 0 HB3 MET A 108 -2.468 -1.447 -1.734 1.00 0.32 H new ATOM 0 HG2 MET A 108 -1.194 0.412 -2.306 1.00 0.62 H new ATOM 0 HG3 MET A 108 -2.595 1.421 -2.607 1.00 0.62 H new ATOM 0 HE1 MET A 108 -3.945 2.177 0.913 1.00 0.83 H new ATOM 0 HE2 MET A 108 -3.515 3.230 -0.457 1.00 0.83 H new ATOM 0 HE3 MET A 108 -4.363 1.693 -0.748 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.062 1.354 -4.408 1.00 0.22 N ATOM 1453 CA PHE A 109 -4.823 2.526 -4.809 1.00 0.23 C ATOM 1454 C PHE A 109 -5.780 2.186 -5.947 1.00 0.23 C ATOM 1455 O PHE A 109 -6.963 2.527 -5.891 1.00 0.29 O ATOM 1456 CB PHE A 109 -3.887 3.666 -5.215 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.524 4.575 -4.071 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.499 5.051 -3.210 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.207 4.956 -3.864 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.167 5.891 -2.162 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.871 5.796 -2.821 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.860 6.242 -1.950 1.00 0.22 C ATOM 0 H PHE A 109 -3.083 1.365 -4.695 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.413 2.856 -3.954 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -2.975 3.245 -5.639 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.361 4.254 -6.001 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.529 4.763 -3.358 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.435 4.592 -4.526 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.940 6.271 -1.510 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.846 6.105 -2.682 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.597 6.864 -1.107 1.00 0.22 H new ATOM 1472 N THR A 110 -5.273 1.497 -6.965 1.00 0.22 N ATOM 1473 CA THR A 110 -6.097 1.098 -8.098 1.00 0.26 C ATOM 1474 C THR A 110 -7.172 0.115 -7.658 1.00 0.25 C ATOM 1475 O THR A 110 -8.308 0.177 -8.122 1.00 0.27 O ATOM 1476 CB THR A 110 -5.256 0.455 -9.215 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.176 -0.298 -8.651 1.00 0.49 O ATOM 1478 CG2 THR A 110 -4.701 1.517 -10.145 1.00 0.66 C ATOM 0 H THR A 110 -4.298 1.205 -7.027 1.00 0.22 H new ATOM 0 HA THR A 110 -6.562 2.003 -8.489 1.00 0.26 H new ATOM 0 HB THR A 110 -5.902 -0.212 -9.786 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.423 0.301 -8.463 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.109 1.042 -10.928 1.00 0.66 H new ATOM 0 HG22 THR A 110 -5.524 2.071 -10.597 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.070 2.203 -9.579 1.00 0.66 H new ATOM 1486 N ASN A 111 -6.792 -0.783 -6.755 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.712 -1.763 -6.175 1.00 0.27 C ATOM 1488 C ASN A 111 -8.997 -1.090 -5.717 1.00 0.26 C ATOM 1489 O ASN A 111 -10.100 -1.488 -6.108 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.062 -2.457 -4.975 1.00 0.33 C ATOM 1491 CG ASN A 111 -6.202 -3.643 -5.358 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -5.981 -3.924 -6.539 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -5.703 -4.344 -4.354 1.00 1.61 N ATOM 0 H ASN A 111 -5.838 -0.854 -6.402 1.00 0.24 H new ATOM 0 HA ASN A 111 -7.945 -2.499 -6.945 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.451 -1.734 -4.434 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -7.843 -2.790 -4.291 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -5.110 -5.152 -4.542 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -5.911 -4.076 -3.392 1.00 1.61 H new ATOM 1500 N CYS A 112 -8.836 -0.053 -4.904 1.00 0.26 N ATOM 1501 CA CYS A 112 -9.958 0.707 -4.385 1.00 0.30 C ATOM 1502 C CYS A 112 -10.761 1.344 -5.520 1.00 0.31 C ATOM 1503 O CYS A 112 -11.988 1.289 -5.526 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.448 1.782 -3.418 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.681 3.020 -2.954 1.00 0.63 S ATOM 0 H CYS A 112 -7.925 0.281 -4.589 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.622 0.028 -3.849 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.082 1.295 -2.514 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.597 2.288 -3.874 1.00 0.36 H new ATOM 0 HG CYS A 112 -10.183 4.210 -3.115 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.061 1.918 -6.491 1.00 0.32 N ATOM 1512 CA TYR A 113 -10.713 2.612 -7.599 1.00 0.36 C ATOM 1513 C TYR A 113 -11.509 1.644 -8.478 1.00 0.41 C ATOM 1514 O TYR A 113 -12.556 2.002 -9.017 1.00 0.52 O ATOM 1515 CB TYR A 113 -9.675 3.346 -8.457 1.00 0.36 C ATOM 1516 CG TYR A 113 -8.980 4.499 -7.757 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -9.659 5.269 -6.821 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -7.652 4.814 -8.024 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.037 6.319 -6.171 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.024 5.864 -7.378 1.00 0.65 C ATOM 1521 CZ TYR A 113 -7.687 6.616 -6.493 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.099 7.658 -5.804 1.00 0.81 O ATOM 0 H TYR A 113 -9.042 1.918 -6.535 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.406 3.335 -7.168 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -8.922 2.630 -8.785 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.166 3.725 -9.353 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -10.691 5.043 -6.597 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.102 4.230 -8.747 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -9.568 6.902 -5.433 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -5.987 6.079 -7.591 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.174 7.769 -6.107 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.011 0.422 -8.617 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.634 -0.560 -9.495 1.00 0.43 C ATOM 1534 C ILE A 114 -12.836 -1.224 -8.832 1.00 0.47 C ATOM 1535 O ILE A 114 -13.941 -1.205 -9.377 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.629 -1.655 -9.921 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.483 -1.044 -10.732 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.325 -2.746 -10.729 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.264 -1.937 -10.825 1.00 0.44 C ATOM 0 H ILE A 114 -10.178 0.087 -8.133 1.00 0.37 H new ATOM 0 HA ILE A 114 -11.969 -0.016 -10.378 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.217 -2.107 -9.019 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -9.839 -0.823 -11.738 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.194 -0.095 -10.280 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.598 -3.505 -11.017 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.107 -3.204 -10.124 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -11.768 -2.309 -11.624 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.493 -1.440 -11.414 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -7.883 -2.138 -9.824 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.537 -2.877 -11.305 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.617 -1.806 -7.657 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.656 -2.582 -6.989 1.00 0.51 C ATOM 1553 C TYR A 115 -14.798 -1.691 -6.514 1.00 0.52 C ATOM 1554 O TYR A 115 -15.967 -2.085 -6.551 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.077 -3.356 -5.800 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.053 -4.353 -5.209 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.246 -5.599 -5.797 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.772 -4.051 -4.059 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.129 -6.516 -5.255 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.656 -4.960 -3.512 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.858 -6.178 -4.134 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.712 -7.099 -3.564 1.00 1.22 O ATOM 0 H TYR A 115 -11.734 -1.755 -7.150 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.051 -3.290 -7.718 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.178 -3.882 -6.120 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.775 -2.650 -5.027 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -13.697 -5.855 -6.691 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.637 -3.090 -3.585 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.247 -7.490 -5.707 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -16.187 -4.721 -2.603 1.00 1.03 H new ATOM 0 HH TYR A 115 -17.147 -6.701 -2.782 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.458 -0.492 -6.080 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.447 0.415 -5.521 1.00 0.41 C ATOM 1574 C ASN A 116 -15.978 1.359 -6.591 1.00 0.45 C ATOM 1575 O ASN A 116 -15.718 1.177 -7.781 1.00 0.64 O ATOM 1576 CB ASN A 116 -14.854 1.209 -4.354 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.350 0.312 -3.239 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.132 -0.278 -2.492 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.037 0.204 -3.118 1.00 0.88 N ATOM 0 H ASN A 116 -13.508 -0.123 -6.103 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.279 -0.181 -5.145 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.033 1.826 -4.719 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.611 1.886 -3.958 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -12.639 -0.384 -2.386 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.423 0.709 -3.757 1.00 0.88 H new ATOM 1586 N LYS A 117 -16.733 2.360 -6.168 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.345 3.302 -7.094 1.00 0.53 C ATOM 1588 C LYS A 117 -16.638 4.653 -7.022 1.00 0.52 C ATOM 1589 O LYS A 117 -16.041 4.985 -6.003 1.00 0.55 O ATOM 1590 CB LYS A 117 -18.837 3.471 -6.770 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.418 2.348 -5.919 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.189 1.341 -6.759 1.00 1.82 C ATOM 1593 CE LYS A 117 -19.370 0.086 -7.031 1.00 2.62 C ATOM 1594 NZ LYS A 117 -19.328 -0.250 -8.478 1.00 3.47 N ATOM 0 H LYS A 117 -16.938 2.542 -5.186 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.246 2.908 -8.106 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -18.980 4.418 -6.250 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.396 3.532 -7.704 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -18.612 1.839 -5.391 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -20.078 2.771 -5.162 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -21.111 1.069 -6.245 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -20.475 1.800 -7.705 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -18.354 0.229 -6.663 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -19.795 -0.751 -6.477 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -18.761 -1.110 -8.618 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -20.295 -0.413 -8.825 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -18.899 0.537 -9.005 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.686 5.450 -8.103 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.108 6.800 -8.112 1.00 0.68 C ATOM 1610 C PRO A 118 -16.782 7.709 -7.086 1.00 0.70 C ATOM 1611 O PRO A 118 -16.188 8.674 -6.603 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.373 7.301 -9.537 1.00 0.79 C ATOM 1613 CG PRO A 118 -16.640 6.081 -10.343 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.279 5.099 -9.404 1.00 0.68 C ATOM 0 HA PRO A 118 -15.050 6.797 -7.848 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -17.224 7.982 -9.562 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.515 7.849 -9.926 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -17.299 6.304 -11.183 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -15.717 5.679 -10.760 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.364 5.199 -9.393 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.057 4.069 -9.684 1.00 0.68 H new ATOM 1622 N THR A 119 -18.027 7.386 -6.758 1.00 0.67 N ATOM 1623 CA THR A 119 -18.786 8.133 -5.769 1.00 0.77 C ATOM 1624 C THR A 119 -18.785 7.414 -4.419 1.00 0.69 C ATOM 1625 O THR A 119 -19.669 7.624 -3.586 1.00 0.78 O ATOM 1626 CB THR A 119 -20.237 8.322 -6.245 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.340 7.922 -7.620 1.00 0.98 O ATOM 1628 CG2 THR A 119 -20.681 9.770 -6.095 1.00 1.23 C ATOM 0 H THR A 119 -18.535 6.603 -7.169 1.00 0.67 H new ATOM 0 HA THR A 119 -18.311 9.107 -5.648 1.00 0.77 H new ATOM 0 HB THR A 119 -20.888 7.704 -5.627 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.263 8.039 -7.927 1.00 0.98 H new ATOM 0 HG21 THR A 119 -21.710 9.873 -6.439 1.00 1.23 H new ATOM 0 HG22 THR A 119 -20.618 10.063 -5.047 1.00 1.23 H new ATOM 0 HG23 THR A 119 -20.033 10.413 -6.691 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.795 6.552 -4.215 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.675 5.813 -2.966 1.00 0.59 C ATOM 1638 C ASP A 120 -16.890 6.621 -1.948 1.00 0.47 C ATOM 1639 O ASP A 120 -16.080 7.479 -2.309 1.00 0.39 O ATOM 1640 CB ASP A 120 -16.987 4.465 -3.191 1.00 0.63 C ATOM 1641 CG ASP A 120 -17.412 3.418 -2.180 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -17.031 3.539 -0.998 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.123 2.468 -2.575 1.00 1.19 O ATOM 0 H ASP A 120 -17.065 6.349 -4.898 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.681 5.633 -2.586 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -17.214 4.108 -4.196 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -15.907 4.599 -3.137 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.124 6.330 -0.682 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.475 7.044 0.406 1.00 0.51 C ATOM 1650 C ASP A 121 -14.992 6.715 0.440 1.00 0.39 C ATOM 1651 O ASP A 121 -14.150 7.601 0.607 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.107 6.670 1.746 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.355 7.468 2.061 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.785 8.277 1.210 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.914 7.286 3.165 1.00 1.44 O ATOM 0 H ASP A 121 -17.765 5.597 -0.378 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.605 8.113 0.236 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.354 5.608 1.740 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.376 6.822 2.540 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.677 5.437 0.250 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.295 4.973 0.301 1.00 0.27 C ATOM 1662 C ILE A 122 -12.478 5.579 -0.840 1.00 0.25 C ATOM 1663 O ILE A 122 -11.291 5.865 -0.689 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.209 3.425 0.262 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.754 2.962 0.356 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -13.859 2.873 -0.997 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.308 2.648 1.765 1.00 0.42 C ATOM 0 H ILE A 122 -15.361 4.704 0.059 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.875 5.307 1.250 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.753 3.039 1.124 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.623 2.075 -0.264 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.108 3.737 -0.056 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.784 1.786 -0.998 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -14.909 3.165 -1.022 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.350 3.273 -1.874 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.267 2.326 1.754 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.406 3.539 2.385 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.929 1.851 2.174 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.128 5.802 -1.975 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.468 6.413 -3.118 1.00 0.25 C ATOM 1681 C VAL A 123 -12.263 7.902 -2.870 1.00 0.24 C ATOM 1682 O VAL A 123 -11.229 8.473 -3.230 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.279 6.208 -4.417 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -12.979 7.303 -5.431 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -12.990 4.838 -5.009 1.00 0.32 C ATOM 0 H VAL A 123 -14.109 5.569 -2.127 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.501 5.926 -3.242 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.339 6.265 -4.167 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -13.564 7.132 -6.335 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.240 8.273 -5.007 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -11.917 7.289 -5.678 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.568 4.708 -5.924 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -11.927 4.757 -5.237 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.267 4.066 -4.291 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.249 8.520 -2.229 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.211 9.946 -1.949 1.00 0.31 C ATOM 1697 C LEU A 124 -11.991 10.292 -1.106 1.00 0.29 C ATOM 1698 O LEU A 124 -11.354 11.327 -1.311 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.487 10.385 -1.231 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.383 11.338 -2.024 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.751 11.454 -1.371 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.728 12.708 -2.140 1.00 0.49 C ATOM 0 H LEU A 124 -14.089 8.049 -1.892 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.143 10.479 -2.898 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.065 9.497 -0.974 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.210 10.867 -0.293 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.516 10.932 -3.027 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.374 12.136 -1.950 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.223 10.472 -1.338 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.639 11.837 -0.357 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.378 13.375 -2.707 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.566 13.119 -1.144 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.771 12.611 -2.653 1.00 0.49 H new ATOM 1714 N MET A 125 -11.661 9.420 -0.164 1.00 0.25 N ATOM 1715 CA MET A 125 -10.491 9.628 0.669 1.00 0.26 C ATOM 1716 C MET A 125 -9.220 9.159 -0.033 1.00 0.24 C ATOM 1717 O MET A 125 -8.188 9.818 0.052 1.00 0.25 O ATOM 1718 CB MET A 125 -10.645 8.941 2.027 1.00 0.35 C ATOM 1719 CG MET A 125 -10.634 7.426 1.980 1.00 0.62 C ATOM 1720 SD MET A 125 -12.047 6.682 2.827 1.00 0.54 S ATOM 1721 CE MET A 125 -12.370 7.882 4.120 1.00 0.62 C ATOM 0 H MET A 125 -12.184 8.568 0.040 1.00 0.25 H new ATOM 0 HA MET A 125 -10.403 10.700 0.843 1.00 0.26 H new ATOM 0 HB2 MET A 125 -9.840 9.276 2.681 1.00 0.35 H new ATOM 0 HB3 MET A 125 -11.580 9.269 2.480 1.00 0.35 H new ATOM 0 HG2 MET A 125 -10.629 7.100 0.940 1.00 0.62 H new ATOM 0 HG3 MET A 125 -9.712 7.061 2.433 1.00 0.62 H new ATOM 0 HE1 MET A 125 -12.889 7.396 4.946 1.00 0.62 H new ATOM 0 HE2 MET A 125 -11.427 8.295 4.477 1.00 0.62 H new ATOM 0 HE3 MET A 125 -12.991 8.686 3.724 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.307 8.036 -0.745 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.151 7.464 -1.438 1.00 0.27 C ATOM 1733 C ALA A 126 -7.523 8.465 -2.400 1.00 0.25 C ATOM 1734 O ALA A 126 -6.310 8.453 -2.619 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.549 6.202 -2.186 1.00 0.31 C ATOM 0 H ALA A 126 -10.169 7.502 -0.858 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.408 7.211 -0.682 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.677 5.791 -2.695 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.937 5.468 -1.480 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.318 6.441 -2.920 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.353 9.326 -2.972 1.00 0.27 N ATOM 1742 CA GLN A 127 -7.875 10.364 -3.874 1.00 0.30 C ATOM 1743 C GLN A 127 -6.967 11.345 -3.135 1.00 0.28 C ATOM 1744 O GLN A 127 -5.906 11.720 -3.635 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.052 11.105 -4.505 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.747 10.316 -5.602 1.00 0.86 C ATOM 1747 CD GLN A 127 -10.798 11.133 -6.320 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -10.514 11.779 -7.330 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -12.016 11.114 -5.805 1.00 1.62 N ATOM 0 H GLN A 127 -9.363 9.326 -2.827 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.296 9.889 -4.666 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -9.777 11.348 -3.728 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -8.698 12.050 -4.917 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.006 9.969 -6.322 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -10.212 9.430 -5.170 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -12.207 10.565 -4.967 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -12.765 11.648 -6.246 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.388 11.750 -1.940 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.592 12.646 -1.103 1.00 0.28 C ATOM 1760 C ALA A 128 -5.328 11.944 -0.618 1.00 0.24 C ATOM 1761 O ALA A 128 -4.244 12.532 -0.601 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.414 13.139 0.081 1.00 0.32 C ATOM 0 H ALA A 128 -8.278 11.472 -1.528 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.299 13.507 -1.703 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -6.806 13.805 0.694 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.289 13.678 -0.283 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -7.736 12.287 0.680 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.478 10.680 -0.238 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.357 9.857 0.202 1.00 0.17 C ATOM 1770 C LEU A 129 -3.280 9.798 -0.877 1.00 0.17 C ATOM 1771 O LEU A 129 -2.092 9.961 -0.604 1.00 0.19 O ATOM 1772 CB LEU A 129 -4.839 8.437 0.512 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.257 8.157 1.963 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.426 9.036 2.376 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -5.616 6.689 2.121 1.00 0.33 C ATOM 0 H LEU A 129 -6.377 10.198 -0.226 1.00 0.19 H new ATOM 0 HA LEU A 129 -3.936 10.305 1.102 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.687 8.215 -0.136 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.044 7.741 0.246 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.416 8.393 2.616 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.700 8.816 3.408 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -6.140 10.085 2.292 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.277 8.839 1.724 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -5.912 6.496 3.152 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -6.442 6.443 1.454 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -4.752 6.074 1.870 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.715 9.583 -2.111 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.807 9.456 -3.243 1.00 0.22 C ATOM 1789 C GLU A 130 -2.057 10.762 -3.511 1.00 0.20 C ATOM 1790 O GLU A 130 -0.966 10.754 -4.083 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.595 9.037 -4.485 1.00 0.34 C ATOM 1792 CG GLU A 130 -2.725 8.657 -5.673 1.00 0.76 C ATOM 1793 CD GLU A 130 -2.905 9.597 -6.846 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -3.693 10.562 -6.728 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -2.267 9.373 -7.893 1.00 1.47 O ATOM 0 H GLU A 130 -4.701 9.492 -2.355 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.066 8.694 -3.003 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.232 8.190 -4.229 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -4.254 9.855 -4.777 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -1.679 8.658 -5.368 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -2.965 7.641 -5.985 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.630 11.877 -3.069 1.00 0.24 N ATOM 1803 CA LYS A 131 -2.044 13.183 -3.318 1.00 0.28 C ATOM 1804 C LYS A 131 -0.773 13.350 -2.505 1.00 0.25 C ATOM 1805 O LYS A 131 0.268 13.718 -3.041 1.00 0.28 O ATOM 1806 CB LYS A 131 -3.035 14.300 -2.986 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.511 15.070 -4.209 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.897 14.622 -4.651 1.00 1.18 C ATOM 1809 CE LYS A 131 -4.886 14.069 -6.071 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.246 12.627 -6.110 1.00 2.24 N ATOM 0 H LYS A 131 -3.500 11.899 -2.537 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.799 13.250 -4.378 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.898 13.870 -2.478 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.568 14.995 -2.288 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -3.528 16.136 -3.984 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -2.804 14.928 -5.027 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -5.268 13.859 -3.967 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -5.587 15.464 -4.594 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -5.587 14.634 -6.686 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -3.896 14.208 -6.506 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -4.385 12.058 -6.241 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -5.706 12.360 -5.216 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -5.899 12.453 -6.901 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.853 13.046 -1.214 1.00 0.28 N ATOM 1825 CA ILE A 132 0.316 13.129 -0.347 1.00 0.33 C ATOM 1826 C ILE A 132 1.285 11.992 -0.654 1.00 0.26 C ATOM 1827 O ILE A 132 2.487 12.103 -0.404 1.00 0.29 O ATOM 1828 CB ILE A 132 -0.049 13.106 1.155 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.313 12.281 1.406 1.00 0.46 C ATOM 1830 CG2 ILE A 132 -0.230 14.526 1.679 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.427 11.778 2.828 1.00 0.59 C ATOM 0 H ILE A 132 -1.708 12.742 -0.748 1.00 0.28 H new ATOM 0 HA ILE A 132 0.789 14.089 -0.553 1.00 0.33 H new ATOM 0 HB ILE A 132 0.773 12.634 1.693 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -2.187 12.888 1.172 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.324 11.430 0.725 1.00 0.46 H new ATOM 0 HG21 ILE A 132 -0.487 14.493 2.738 1.00 1.23 H new ATOM 0 HG22 ILE A 132 0.697 15.083 1.548 1.00 1.23 H new ATOM 0 HG23 ILE A 132 -1.030 15.018 1.127 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.345 11.201 2.937 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -0.571 11.145 3.060 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -1.447 12.625 3.513 1.00 0.59 H new ATOM 1843 N PHE A 133 0.750 10.901 -1.200 1.00 0.25 N ATOM 1844 CA PHE A 133 1.571 9.786 -1.651 1.00 0.28 C ATOM 1845 C PHE A 133 2.534 10.242 -2.743 1.00 0.26 C ATOM 1846 O PHE A 133 3.748 10.218 -2.554 1.00 0.28 O ATOM 1847 CB PHE A 133 0.684 8.653 -2.171 1.00 0.34 C ATOM 1848 CG PHE A 133 1.454 7.577 -2.871 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.388 6.817 -2.190 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.229 7.318 -4.210 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.087 5.817 -2.835 1.00 0.39 C ATOM 1852 CE2 PHE A 133 1.923 6.322 -4.860 1.00 0.46 C ATOM 1853 CZ PHE A 133 2.904 5.600 -4.161 1.00 0.44 C ATOM 0 H PHE A 133 -0.252 10.768 -1.340 1.00 0.25 H new ATOM 0 HA PHE A 133 2.152 9.419 -0.805 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.137 8.215 -1.336 1.00 0.34 H new ATOM 0 HB3 PHE A 133 -0.057 9.065 -2.856 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.572 7.008 -1.143 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.501 7.903 -4.752 1.00 0.42 H new ATOM 0 HE1 PHE A 133 3.783 5.204 -2.281 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.715 6.099 -5.896 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.512 4.873 -4.679 1.00 0.44 H new ATOM 1863 N LEU A 134 1.989 10.704 -3.865 1.00 0.27 N ATOM 1864 CA LEU A 134 2.816 11.119 -4.991 1.00 0.34 C ATOM 1865 C LEU A 134 3.646 12.348 -4.625 1.00 0.34 C ATOM 1866 O LEU A 134 4.723 12.573 -5.181 1.00 0.43 O ATOM 1867 CB LEU A 134 1.953 11.394 -6.230 1.00 0.42 C ATOM 1868 CG LEU A 134 1.265 12.762 -6.275 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.954 13.677 -7.275 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.203 12.607 -6.631 1.00 0.59 C ATOM 0 H LEU A 134 0.985 10.800 -4.017 1.00 0.27 H new ATOM 0 HA LEU A 134 3.500 10.304 -5.230 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.581 11.295 -7.116 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.187 10.621 -6.294 1.00 0.42 H new ATOM 0 HG LEU A 134 1.339 13.213 -5.285 1.00 0.47 H new ATOM 0 HD11 LEU A 134 1.450 14.643 -7.291 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.995 13.816 -6.984 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.912 13.229 -8.268 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -0.676 13.588 -6.659 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.292 12.134 -7.609 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.696 11.988 -5.882 1.00 0.59 H new ATOM 1882 N GLN A 135 3.145 13.115 -3.667 1.00 0.29 N ATOM 1883 CA GLN A 135 3.810 14.323 -3.207 1.00 0.35 C ATOM 1884 C GLN A 135 5.187 14.006 -2.636 1.00 0.36 C ATOM 1885 O GLN A 135 6.162 14.692 -2.932 1.00 0.55 O ATOM 1886 CB GLN A 135 2.949 15.009 -2.149 1.00 0.37 C ATOM 1887 CG GLN A 135 2.462 16.388 -2.564 1.00 0.51 C ATOM 1888 CD GLN A 135 3.455 17.489 -2.237 1.00 1.06 C ATOM 1889 OE1 GLN A 135 4.438 17.272 -1.524 1.00 1.43 O ATOM 1890 NE2 GLN A 135 3.206 18.680 -2.758 1.00 1.61 N ATOM 0 H GLN A 135 2.267 12.916 -3.188 1.00 0.29 H new ATOM 0 HA GLN A 135 3.943 14.991 -4.058 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.087 14.379 -1.929 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.523 15.097 -1.227 1.00 0.37 H new ATOM 0 HG2 GLN A 135 2.265 16.391 -3.636 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.516 16.599 -2.065 1.00 0.51 H new ATOM 0 HE21 GLN A 135 2.382 18.819 -3.343 1.00 1.61 H new ATOM 0 HE22 GLN A 135 3.838 19.459 -2.575 1.00 1.61 H new ATOM 1899 N LYS A 136 5.265 12.953 -1.832 1.00 0.25 N ATOM 1900 CA LYS A 136 6.518 12.581 -1.194 1.00 0.26 C ATOM 1901 C LYS A 136 7.291 11.582 -2.048 1.00 0.23 C ATOM 1902 O LYS A 136 8.476 11.335 -1.818 1.00 0.25 O ATOM 1903 CB LYS A 136 6.255 12.007 0.196 1.00 0.32 C ATOM 1904 CG LYS A 136 6.332 13.055 1.294 1.00 0.54 C ATOM 1905 CD LYS A 136 5.865 12.514 2.635 1.00 0.50 C ATOM 1906 CE LYS A 136 5.529 13.641 3.601 1.00 0.63 C ATOM 1907 NZ LYS A 136 6.736 14.405 4.018 1.00 1.52 N ATOM 0 H LYS A 136 4.478 12.344 -1.608 1.00 0.25 H new ATOM 0 HA LYS A 136 7.128 13.479 -1.092 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.268 11.544 0.211 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.980 11.219 0.401 1.00 0.32 H new ATOM 0 HG2 LYS A 136 7.359 13.410 1.384 1.00 0.54 H new ATOM 0 HG3 LYS A 136 5.721 13.914 1.018 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.988 11.884 2.489 1.00 0.50 H new ATOM 0 HD3 LYS A 136 6.643 11.883 3.066 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.817 14.319 3.131 1.00 0.63 H new ATOM 0 HE3 LYS A 136 5.041 13.227 4.483 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.458 15.162 4.675 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 7.406 13.765 4.490 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 7.189 14.823 3.180 1.00 1.52 H new ATOM 1921 N VAL A 137 6.621 11.023 -3.044 1.00 0.23 N ATOM 1922 CA VAL A 137 7.242 10.073 -3.950 1.00 0.25 C ATOM 1923 C VAL A 137 8.026 10.815 -5.029 1.00 0.30 C ATOM 1924 O VAL A 137 9.037 10.328 -5.530 1.00 0.33 O ATOM 1925 CB VAL A 137 6.186 9.144 -4.595 1.00 0.30 C ATOM 1926 CG1 VAL A 137 6.723 8.443 -5.834 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.704 8.124 -3.581 1.00 0.33 C ATOM 0 H VAL A 137 5.639 11.214 -3.245 1.00 0.23 H new ATOM 0 HA VAL A 137 7.928 9.452 -3.375 1.00 0.25 H new ATOM 0 HB VAL A 137 5.348 9.766 -4.911 1.00 0.30 H new ATOM 0 HG11 VAL A 137 5.948 7.801 -6.254 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.018 9.187 -6.574 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.588 7.838 -5.563 1.00 0.35 H new ATOM 0 HG21 VAL A 137 4.961 7.474 -4.043 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.548 7.524 -3.239 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.257 8.639 -2.731 1.00 0.33 H new ATOM 1937 N ALA A 138 7.575 12.021 -5.356 1.00 0.34 N ATOM 1938 CA ALA A 138 8.271 12.863 -6.320 1.00 0.43 C ATOM 1939 C ALA A 138 9.565 13.397 -5.719 1.00 0.43 C ATOM 1940 O ALA A 138 10.377 14.024 -6.398 1.00 0.50 O ATOM 1941 CB ALA A 138 7.379 14.012 -6.751 1.00 0.50 C ATOM 0 H ALA A 138 6.729 12.437 -4.967 1.00 0.34 H new ATOM 0 HA ALA A 138 8.516 12.262 -7.196 1.00 0.43 H new ATOM 0 HB1 ALA A 138 7.910 14.634 -7.471 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.473 13.617 -7.211 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.112 14.612 -5.881 1.00 0.50 H new ATOM 1947 N GLN A 139 9.734 13.147 -4.430 1.00 0.39 N ATOM 1948 CA GLN A 139 10.916 13.575 -3.703 1.00 0.43 C ATOM 1949 C GLN A 139 11.805 12.378 -3.383 1.00 0.40 C ATOM 1950 O GLN A 139 12.832 12.514 -2.711 1.00 0.45 O ATOM 1951 CB GLN A 139 10.503 14.291 -2.418 1.00 0.45 C ATOM 1952 CG GLN A 139 9.199 15.054 -2.560 1.00 0.54 C ATOM 1953 CD GLN A 139 8.944 16.023 -1.426 1.00 1.08 C ATOM 1954 OE1 GLN A 139 9.844 16.353 -0.653 1.00 1.76 O ATOM 1955 NE2 GLN A 139 7.709 16.478 -1.318 1.00 1.56 N ATOM 0 H GLN A 139 9.055 12.642 -3.860 1.00 0.39 H new ATOM 0 HA GLN A 139 11.483 14.267 -4.326 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.405 13.559 -1.616 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.292 14.982 -2.124 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.208 15.603 -3.502 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.374 14.343 -2.613 1.00 0.54 H new ATOM 0 HE21 GLN A 139 6.995 16.177 -1.981 1.00 1.56 H new ATOM 0 HE22 GLN A 139 7.469 17.130 -0.571 1.00 1.56 H new ATOM 1964 N MET A 140 11.389 11.206 -3.861 1.00 0.35 N ATOM 1965 CA MET A 140 12.163 9.978 -3.694 1.00 0.35 C ATOM 1966 C MET A 140 13.518 10.099 -4.379 1.00 0.40 C ATOM 1967 O MET A 140 13.648 10.799 -5.385 1.00 0.48 O ATOM 1968 CB MET A 140 11.415 8.785 -4.295 1.00 0.38 C ATOM 1969 CG MET A 140 10.369 8.186 -3.375 1.00 0.66 C ATOM 1970 SD MET A 140 10.798 6.525 -2.824 1.00 0.86 S ATOM 1971 CE MET A 140 9.877 5.543 -4.002 1.00 0.67 C ATOM 0 H MET A 140 10.514 11.082 -4.370 1.00 0.35 H new ATOM 0 HA MET A 140 12.307 9.821 -2.625 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.933 9.100 -5.220 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.137 8.012 -4.559 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.243 8.832 -2.506 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.410 8.157 -3.892 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.935 4.491 -3.723 1.00 0.67 H new ATOM 0 HE2 MET A 140 8.834 5.861 -4.004 1.00 0.67 H new ATOM 0 HE3 MET A 140 10.300 5.678 -4.998 1.00 0.67 H new ATOM 1981 N PRO A 141 14.547 9.418 -3.853 1.00 0.42 N ATOM 1982 CA PRO A 141 15.856 9.387 -4.491 1.00 0.52 C ATOM 1983 C PRO A 141 15.836 8.495 -5.725 1.00 0.61 C ATOM 1984 O PRO A 141 16.092 7.292 -5.637 1.00 0.67 O ATOM 1985 CB PRO A 141 16.763 8.799 -3.408 1.00 0.55 C ATOM 1986 CG PRO A 141 15.865 7.948 -2.583 1.00 0.53 C ATOM 1987 CD PRO A 141 14.518 8.627 -2.605 1.00 0.46 C ATOM 0 HA PRO A 141 16.185 10.367 -4.837 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.572 8.214 -3.844 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.225 9.584 -2.809 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.801 6.939 -2.990 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.240 7.857 -1.564 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.704 7.902 -2.609 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.375 9.262 -1.731 1.00 0.46 H new ATOM 1995 N GLN A 142 15.536 9.095 -6.873 1.00 0.76 N ATOM 1996 CA GLN A 142 15.384 8.368 -8.137 1.00 0.94 C ATOM 1997 C GLN A 142 16.692 7.708 -8.571 1.00 0.93 C ATOM 1998 O GLN A 142 16.738 6.982 -9.563 1.00 1.17 O ATOM 1999 CB GLN A 142 14.898 9.318 -9.236 1.00 1.21 C ATOM 2000 CG GLN A 142 13.385 9.361 -9.382 1.00 1.60 C ATOM 2001 CD GLN A 142 12.857 8.268 -10.288 1.00 2.34 C ATOM 2002 OE1 GLN A 142 13.307 8.109 -11.423 1.00 2.87 O ATOM 2003 NE2 GLN A 142 11.892 7.510 -9.796 1.00 2.91 N ATOM 0 H GLN A 142 15.390 10.101 -6.957 1.00 0.76 H new ATOM 0 HA GLN A 142 14.646 7.582 -7.977 1.00 0.94 H new ATOM 0 HB2 GLN A 142 15.262 10.323 -9.022 1.00 1.21 H new ATOM 0 HB3 GLN A 142 15.337 9.015 -10.186 1.00 1.21 H new ATOM 0 HG2 GLN A 142 12.926 9.266 -8.398 1.00 1.60 H new ATOM 0 HG3 GLN A 142 13.089 10.332 -9.779 1.00 1.60 H new ATOM 0 HE21 GLN A 142 11.547 7.674 -8.850 1.00 2.91 H new ATOM 0 HE22 GLN A 142 11.493 6.761 -10.362 1.00 2.91 H new ATOM 2012 N GLU A 143 17.742 7.960 -7.811 1.00 0.80 N ATOM 2013 CA GLU A 143 19.052 7.404 -8.080 1.00 0.91 C ATOM 2014 C GLU A 143 19.116 5.964 -7.599 1.00 0.87 C ATOM 2015 O GLU A 143 19.771 5.121 -8.210 1.00 1.20 O ATOM 2016 CB GLU A 143 20.101 8.231 -7.353 1.00 1.04 C ATOM 2017 CG GLU A 143 19.941 9.726 -7.578 1.00 1.22 C ATOM 2018 CD GLU A 143 21.186 10.519 -7.238 1.00 1.94 C ATOM 2019 OE1 GLU A 143 22.232 9.909 -6.937 1.00 2.30 O ATOM 2020 OE2 GLU A 143 21.119 11.764 -7.267 1.00 2.70 O ATOM 0 H GLU A 143 17.708 8.559 -6.986 1.00 0.80 H new ATOM 0 HA GLU A 143 19.241 7.426 -9.153 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.044 8.022 -6.285 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.092 7.923 -7.685 1.00 1.04 H new ATOM 0 HG2 GLU A 143 19.679 9.904 -8.621 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.110 10.091 -6.974 1.00 1.22 H new ATOM 2027 N GLU A 144 18.416 5.712 -6.492 1.00 0.77 N ATOM 2028 CA GLU A 144 18.402 4.404 -5.837 1.00 0.77 C ATOM 2029 C GLU A 144 19.778 4.114 -5.249 1.00 0.82 C ATOM 2030 O GLU A 144 20.669 3.600 -5.925 1.00 1.16 O ATOM 2031 CB GLU A 144 17.980 3.285 -6.807 1.00 0.82 C ATOM 2032 CG GLU A 144 17.012 2.272 -6.204 1.00 1.04 C ATOM 2033 CD GLU A 144 17.510 1.689 -4.900 1.00 1.58 C ATOM 2034 OE1 GLU A 144 18.517 0.951 -4.920 1.00 1.87 O ATOM 2035 OE2 GLU A 144 16.886 1.958 -3.855 1.00 2.34 O ATOM 0 H GLU A 144 17.841 6.412 -6.023 1.00 0.77 H new ATOM 0 HA GLU A 144 17.663 4.430 -5.036 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.518 3.735 -7.685 1.00 0.82 H new ATOM 0 HB3 GLU A 144 18.872 2.760 -7.150 1.00 0.82 H new ATOM 0 HG2 GLU A 144 16.048 2.752 -6.037 1.00 1.04 H new ATOM 0 HG3 GLU A 144 16.847 1.465 -6.918 1.00 1.04 H new ATOM 2042 N VAL A 145 19.948 4.459 -3.984 1.00 0.63 N ATOM 2043 CA VAL A 145 21.233 4.312 -3.328 1.00 0.68 C ATOM 2044 C VAL A 145 21.149 3.253 -2.247 1.00 0.61 C ATOM 2045 O VAL A 145 20.369 3.384 -1.306 1.00 0.61 O ATOM 2046 CB VAL A 145 21.721 5.637 -2.698 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.156 5.928 -3.111 1.00 0.99 C ATOM 2048 CG2 VAL A 145 20.805 6.793 -3.077 1.00 0.88 C ATOM 0 H VAL A 145 19.211 4.843 -3.392 1.00 0.63 H new ATOM 0 HA VAL A 145 21.950 4.015 -4.093 1.00 0.68 H new ATOM 0 HB VAL A 145 21.690 5.528 -1.614 1.00 0.78 H new ATOM 0 HG11 VAL A 145 23.482 6.864 -2.658 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.803 5.118 -2.775 1.00 0.99 H new ATOM 0 HG13 VAL A 145 23.213 6.011 -4.196 1.00 0.99 H new ATOM 0 HG21 VAL A 145 21.172 7.712 -2.620 1.00 0.88 H new ATOM 0 HG22 VAL A 145 20.792 6.906 -4.161 1.00 0.88 H new ATOM 0 HG23 VAL A 145 19.795 6.589 -2.721 1.00 0.88 H new ATOM 2058 N GLU A 146 21.932 2.203 -2.392 1.00 0.66 N ATOM 2059 CA GLU A 146 21.968 1.141 -1.405 1.00 0.68 C ATOM 2060 C GLU A 146 22.724 1.613 -0.172 1.00 0.72 C ATOM 2061 O GLU A 146 23.813 2.182 -0.285 1.00 0.75 O ATOM 2062 CB GLU A 146 22.633 -0.103 -1.983 1.00 0.79 C ATOM 2063 CG GLU A 146 21.910 -1.394 -1.647 1.00 1.00 C ATOM 2064 CD GLU A 146 22.436 -2.567 -2.445 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.653 -2.597 -2.736 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.643 -3.469 -2.783 1.00 1.24 O ATOM 0 H GLU A 146 22.555 2.062 -3.187 1.00 0.66 H new ATOM 0 HA GLU A 146 20.946 0.886 -1.125 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.693 -0.002 -3.067 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.656 -0.163 -1.612 1.00 0.79 H new ATOM 0 HG2 GLU A 146 22.018 -1.603 -0.583 1.00 1.00 H new ATOM 0 HG3 GLU A 146 20.844 -1.273 -1.841 1.00 1.00 H new ATOM 2073 N LEU A 147 22.152 1.379 0.997 1.00 0.76 N ATOM 2074 CA LEU A 147 22.752 1.841 2.237 1.00 0.86 C ATOM 2075 C LEU A 147 23.944 0.965 2.601 1.00 1.01 C ATOM 2076 O LEU A 147 25.033 1.515 2.875 1.00 1.57 O ATOM 2077 CB LEU A 147 21.721 1.833 3.369 1.00 0.86 C ATOM 2078 CG LEU A 147 20.547 2.799 3.193 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.388 2.393 4.089 1.00 0.80 C ATOM 2080 CD2 LEU A 147 20.980 4.226 3.496 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.794 -0.272 2.592 1.00 1.46 O ATOM 0 H LEU A 147 21.274 0.873 1.113 1.00 0.76 H new ATOM 0 HA LEU A 147 23.098 2.865 2.095 1.00 0.86 H new ATOM 0 HB2 LEU A 147 21.326 0.822 3.471 1.00 0.86 H new ATOM 0 HB3 LEU A 147 22.230 2.072 4.303 1.00 0.86 H new ATOM 0 HG LEU A 147 20.215 2.754 2.156 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.561 3.090 3.952 1.00 0.80 H new ATOM 0 HD12 LEU A 147 19.061 1.386 3.828 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.709 2.411 5.130 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.132 4.899 3.366 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.337 4.287 4.524 1.00 0.82 H new ATOM 0 HD23 LEU A 147 21.781 4.515 2.816 1.00 0.82 H new TER 2093 LEU A 147 ATOM 2094 N GLY B 311 -17.972 -3.613 5.952 1.00 2.17 N ATOM 2095 CA GLY B 311 -17.792 -3.770 4.490 1.00 1.75 C ATOM 2096 C GLY B 311 -17.296 -2.496 3.850 1.00 1.45 C ATOM 2097 O GLY B 311 -16.620 -1.697 4.498 1.00 1.85 O ATOM 0 HA2 GLY B 311 -17.084 -4.575 4.295 1.00 1.75 H new ATOM 0 HA3 GLY B 311 -18.739 -4.061 4.036 1.00 1.75 H new HETATM 2101 OH ALY B 312 -10.973 -1.500 -1.957 1.00 1.52 O HETATM 2102 CH ALY B 312 -10.572 -1.592 -0.793 1.00 1.37 C HETATM 2103 CH3 ALY B 312 -9.131 -1.336 -0.449 1.00 1.86 C HETATM 2104 NZ ALY B 312 -11.367 -1.919 0.217 1.00 1.27 N HETATM 2105 CE ALY B 312 -12.792 -2.207 0.069 1.00 1.51 C HETATM 2106 CD ALY B 312 -13.666 -1.047 0.527 1.00 1.71 C HETATM 2107 CG ALY B 312 -14.763 -1.510 1.478 1.00 1.76 C HETATM 2108 CB ALY B 312 -16.146 -1.389 0.850 1.00 1.59 C HETATM 2109 CA ALY B 312 -17.254 -1.090 1.866 1.00 1.22 C HETATM 2110 N ALY B 312 -17.635 -2.299 2.585 1.00 1.27 N HETATM 2111 C ALY B 312 -18.472 -0.497 1.169 1.00 1.31 C HETATM 2112 O ALY B 312 -19.494 -1.167 1.027 1.00 1.71 O HETATM 0 HH33 ALY B 312 -8.497 -2.037 -0.992 1.00 1.86 H new HETATM 0 HH32 ALY B 312 -8.866 -0.316 -0.729 1.00 1.86 H new HETATM 0 HH31 ALY B 312 -8.984 -1.468 0.623 1.00 1.86 H new HETATM 0 HZ ALY B 312 -10.960 -1.973 1.151 1.00 1.27 H new HETATM 0 HG3 ALY B 312 -14.726 -0.917 2.392 1.00 1.76 H new HETATM 0 HG2 ALY B 312 -14.583 -2.547 1.763 1.00 1.76 H new HETATM 0 HE3 ALY B 312 -13.042 -3.098 0.646 1.00 1.51 H new HETATM 0 HE2 ALY B 312 -13.008 -2.432 -0.975 1.00 1.51 H new HETATM 0 HD3 ALY B 312 -14.116 -0.565 -0.341 1.00 1.71 H new HETATM 0 HD2 ALY B 312 -13.047 -0.298 1.022 1.00 1.71 H new HETATM 0 HCA ALY B 312 -16.868 -0.364 2.582 1.00 1.22 H new HETATM 0 HB3 ALY B 312 -16.382 -2.317 0.329 1.00 1.59 H new HETATM 0 HB2 ALY B 312 -16.128 -0.598 0.100 1.00 1.59 H new ATOM 2127 N GLY B 313 -18.364 0.753 0.741 1.00 1.29 N ATOM 2128 CA GLY B 313 -19.490 1.428 0.122 1.00 1.46 C ATOM 2129 C GLY B 313 -19.841 2.708 0.845 1.00 1.36 C ATOM 2130 O GLY B 313 -20.206 3.711 0.226 1.00 1.97 O ATOM 0 H GLY B 313 -17.515 1.314 0.811 1.00 1.29 H new ATOM 0 HA2 GLY B 313 -19.253 1.651 -0.918 1.00 1.46 H new ATOM 0 HA3 GLY B 313 -20.354 0.764 0.117 1.00 1.46 H new ATOM 2134 N LYS B 314 -19.743 2.666 2.164 1.00 1.20 N ATOM 2135 CA LYS B 314 -19.959 3.839 2.989 1.00 1.15 C ATOM 2136 C LYS B 314 -19.006 3.817 4.176 1.00 1.02 C ATOM 2137 O LYS B 314 -18.808 2.773 4.800 1.00 1.28 O ATOM 2138 CB LYS B 314 -21.406 3.893 3.485 1.00 1.53 C ATOM 2139 CG LYS B 314 -22.019 5.285 3.423 1.00 1.97 C ATOM 2140 CD LYS B 314 -23.164 5.438 4.414 1.00 2.24 C ATOM 2141 CE LYS B 314 -24.519 5.335 3.728 1.00 2.95 C ATOM 2142 NZ LYS B 314 -25.454 4.444 4.467 1.00 3.58 N ATOM 0 H LYS B 314 -19.513 1.822 2.689 1.00 1.20 H new ATOM 0 HA LYS B 314 -19.767 4.727 2.386 1.00 1.15 H new ATOM 0 HB2 LYS B 314 -22.012 3.211 2.888 1.00 1.53 H new ATOM 0 HB3 LYS B 314 -21.442 3.534 4.514 1.00 1.53 H new ATOM 0 HG2 LYS B 314 -21.252 6.030 3.634 1.00 1.97 H new ATOM 0 HG3 LYS B 314 -22.382 5.478 2.414 1.00 1.97 H new ATOM 0 HD2 LYS B 314 -23.086 4.669 5.182 1.00 2.24 H new ATOM 0 HD3 LYS B 314 -23.083 6.401 4.918 1.00 2.24 H new ATOM 0 HE2 LYS B 314 -24.958 6.329 3.642 1.00 2.95 H new ATOM 0 HE3 LYS B 314 -24.384 4.957 2.714 1.00 2.95 H new ATOM 0 HZ1 LYS B 314 -26.364 4.403 3.965 1.00 3.58 H new ATOM 0 HZ2 LYS B 314 -25.048 3.488 4.527 1.00 3.58 H new ATOM 0 HZ3 LYS B 314 -25.604 4.817 5.426 1.00 3.58 H new HETATM 2156 OH ALY B 315 -14.828 0.708 6.595 1.00 1.76 O HETATM 2157 CH ALY B 315 -14.072 0.644 5.625 1.00 1.07 C HETATM 2158 CH3 ALY B 315 -12.812 -0.171 5.684 1.00 1.45 C HETATM 2159 NZ ALY B 315 -14.306 1.276 4.482 1.00 1.04 N HETATM 2160 CE ALY B 315 -15.481 2.110 4.245 1.00 1.26 C HETATM 2161 CD ALY B 315 -15.107 3.542 3.898 1.00 1.06 C HETATM 2162 CG ALY B 315 -15.047 4.420 5.141 1.00 0.98 C HETATM 2163 CB ALY B 315 -16.101 5.516 5.107 1.00 0.92 C HETATM 2164 CA ALY B 315 -17.479 5.061 5.593 1.00 0.90 C HETATM 2165 N ALY B 315 -18.407 4.958 4.473 1.00 0.86 N HETATM 2166 C ALY B 315 -18.013 6.029 6.641 1.00 1.19 C HETATM 2167 O ALY B 315 -17.568 6.027 7.793 1.00 1.94 O HETATM 0 HH33 ALY B 315 -12.172 0.206 6.482 1.00 1.45 H new HETATM 0 HH32 ALY B 315 -13.062 -1.213 5.882 1.00 1.45 H new HETATM 0 HH31 ALY B 315 -12.287 -0.098 4.732 1.00 1.45 H new HETATM 0 HZ ALY B 315 -13.628 1.174 3.727 1.00 1.04 H new HETATM 0 HG3 ALY B 315 -14.057 4.869 5.222 1.00 0.98 H new HETATM 0 HG2 ALY B 315 -15.191 3.804 6.029 1.00 0.98 H new HETATM 0 HE3 ALY B 315 -16.113 2.106 5.133 1.00 1.26 H new HETATM 0 HE2 ALY B 315 -16.070 1.683 3.433 1.00 1.26 H new HETATM 0 HD3 ALY B 315 -15.836 3.950 3.198 1.00 1.06 H new HETATM 0 HD2 ALY B 315 -14.140 3.555 3.395 1.00 1.06 H new HETATM 0 HCA ALY B 315 -17.380 4.075 6.048 1.00 0.90 H new HETATM 0 HB3 ALY B 315 -16.191 5.890 4.087 1.00 0.92 H new HETATM 0 HB2 ALY B 315 -15.765 6.350 5.724 1.00 0.92 H new ATOM 2182 N LYS B 316 -18.962 6.861 6.235 1.00 1.45 N ATOM 2183 CA LYS B 316 -19.622 7.775 7.158 1.00 1.75 C ATOM 2184 C LYS B 316 -20.862 7.114 7.755 1.00 2.25 C ATOM 2185 O LYS B 316 -21.817 7.835 8.107 1.00 2.57 O ATOM 2186 CB LYS B 316 -19.999 9.085 6.452 1.00 2.43 C ATOM 2187 CG LYS B 316 -20.868 8.894 5.218 1.00 2.91 C ATOM 2188 CD LYS B 316 -20.626 9.992 4.198 1.00 3.60 C ATOM 2189 CE LYS B 316 -21.475 9.795 2.951 1.00 4.12 C ATOM 2190 NZ LYS B 316 -20.683 9.979 1.707 1.00 4.60 N ATOM 0 H LYS B 316 -19.293 6.922 5.272 1.00 1.45 H new ATOM 0 HA LYS B 316 -18.928 8.012 7.964 1.00 1.75 H new ATOM 0 HB2 LYS B 316 -20.524 9.728 7.158 1.00 2.43 H new ATOM 0 HB3 LYS B 316 -19.086 9.606 6.164 1.00 2.43 H new ATOM 0 HG2 LYS B 316 -20.657 7.924 4.768 1.00 2.91 H new ATOM 0 HG3 LYS B 316 -21.919 8.889 5.508 1.00 2.91 H new ATOM 0 HD2 LYS B 316 -20.853 10.960 4.644 1.00 3.60 H new ATOM 0 HD3 LYS B 316 -19.572 10.007 3.922 1.00 3.60 H new ATOM 0 HE2 LYS B 316 -21.908 8.795 2.961 1.00 4.12 H new ATOM 0 HE3 LYS B 316 -22.305 10.502 2.961 1.00 4.12 H new ATOM 0 HZ1 LYS B 316 -21.205 9.580 0.901 1.00 4.60 H new ATOM 0 HZ2 LYS B 316 -20.520 10.993 1.546 1.00 4.60 H new ATOM 0 HZ3 LYS B 316 -19.769 9.492 1.802 1.00 4.60 H new TER 2204 LYS B 316