USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD NoAdj-H: A 125 HIS HE2 : A 125 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD Set 1.1: A 72 CYS SG : rot 145:sc= -0.97! USER MOD Set 1.2: A 75 CYS SG : rot -102:sc= -6.51! USER MOD Set 1.3: A 93 HIS : no HE2:sc= -3.05! C(o=-11!,f=-14!) USER MOD Set 2.1: A 76 THR OG1 : rot 171:sc= 1.04 USER MOD Set 2.2: A 112 LYS NZ :NH3+ -175:sc= 1.2 (180deg=0) USER MOD Set 3.1: A 73 LYS NZ :NH3+ 141:sc= 2.3 (180deg=-0.109) USER MOD Set 3.2: A 99 ASN : amide:sc= 0.603 K(o=3.2,f=-5.2) USER MOD Set 3.3: A 101 SER OG : rot 91:sc= 0.247 USER MOD Set 4.1: A -1 HIS : no HD1:sc= -0.2 X(o=-0.16,f=-0.24) USER MOD Set 4.2: A 61 GLN : amide:sc= 0.0354 X(o=-0.16,f=-0.24) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -8 MET N :NH3+ 141:sc= 1.53 (180deg=0.131) USER MOD Single : A 60 ASN : amide:sc= -0.0273 K(o=-0.027,f=-0.95) USER MOD Single : A 62 GLN : amide:sc= -2.19! C(o=-2.2!,f=-8.2!) USER MOD Single : A 63 ASN : amide:sc= -0.164 K(o=-0.16,f=-3.2!) USER MOD Single : A 64 LYS NZ :NH3+ 139:sc= -0.79 (180deg=-2.9!) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= 1.22 (180deg=0.0625) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0392 USER MOD Single : A 78 GLN : amide:sc= -1.63! C(o=-1.6!,f=-6!) USER MOD Single : A 79 THR OG1 : rot 140:sc=-0.00441 USER MOD Single : A 83 ASN : amide:sc= -0.491! X(o=-0.49!,f=-0.036) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -95:sc= 1.28 USER MOD Single : A 95 ASN : amide:sc= -0.0785 K(o=-0.078,f=-4.9!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -162:sc= -4.37! USER MOD Single : A 107 CYS SG : rot 49:sc= -5.62! USER MOD Single : A 108 ASN :FLIP amide:sc= -0.0887 F(o=-1.2!,f=-0.089) USER MOD Single : A 111 THR OG1 : rot 56:sc= 1.25 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 81:sc= 0.00225 USER MOD Single : A 121 ASN : amide:sc= -3.5! C(o=-3.5!,f=-7!) USER MOD Single : A 123 LYS NZ :NH3+ 149:sc= -0.132 (180deg=-0.493) USER MOD Single : A 124 TYR OH : rot -41:sc= -1.65! USER MOD Single : A 130 ASN :FLIP amide:sc= -0.635 F(o=-2.9!,f=-0.64) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : A 139 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 140 ASN : amide:sc= 0.781 K(o=0.78,f=-0.066) USER MOD Single : A 141 GLN :FLIP amide:sc= -1.43! C(o=-5!,f=-1.4!) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 146 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.86) USER MOD Single : A 147 THR OG1 : rot -158:sc= -2.45! USER MOD Single : A 149 ASN :FLIP amide:sc= -1.58 F(o=-4.4!,f=-1.6) USER MOD Single : A 152 THR OG1 : rot -79:sc= 0.966 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 -3.763 14.336 -22.702 1.00 52.32 N ATOM 2 CA MET A -8 -3.135 15.575 -23.142 1.00 55.53 C ATOM 3 C MET A -8 -1.713 15.263 -23.510 1.00 53.44 C ATOM 4 O MET A -8 -1.174 14.250 -23.058 1.00 51.11 O ATOM 5 CB MET A -8 -3.121 16.650 -22.025 1.00 20.15 C ATOM 6 CG MET A -8 -4.481 17.122 -21.505 1.00 63.05 C ATOM 7 SD MET A -8 -5.381 15.869 -20.570 1.00 71.22 S ATOM 8 CE MET A -8 -6.829 16.811 -20.073 1.00 32.13 C ATOM 0 H1 MET A -8 -4.389 14.532 -21.895 1.00 52.32 H new ATOM 0 H2 MET A -8 -4.320 13.933 -23.482 1.00 52.32 H new ATOM 0 H3 MET A -8 -3.029 13.658 -22.414 1.00 52.32 H new ATOM 0 HA MET A -8 -3.704 15.970 -23.984 1.00 55.53 H new ATOM 0 HB2 MET A -8 -2.553 16.257 -21.182 1.00 20.15 H new ATOM 0 HB3 MET A -8 -2.579 17.519 -22.397 1.00 20.15 H new ATOM 0 HG2 MET A -8 -4.333 17.997 -20.872 1.00 63.05 H new ATOM 0 HG3 MET A -8 -5.092 17.439 -22.350 1.00 63.05 H new ATOM 0 HE1 MET A -8 -7.491 16.177 -19.483 1.00 32.13 H new ATOM 0 HE2 MET A -8 -6.518 17.667 -19.474 1.00 32.13 H new ATOM 0 HE3 MET A -8 -7.357 17.161 -20.960 1.00 32.13 H new ATOM 17 N ALA A -7 -1.106 16.102 -24.338 1.00 71.43 N ATOM 18 CA ALA A -7 0.293 15.955 -24.693 1.00 4.10 C ATOM 19 C ALA A -7 1.138 16.257 -23.477 1.00 31.05 C ATOM 20 O ALA A -7 2.147 15.609 -23.218 1.00 1.32 O ATOM 21 CB ALA A -7 0.652 16.901 -25.826 1.00 21.13 C ATOM 0 H ALA A -7 -1.568 16.898 -24.778 1.00 71.43 H new ATOM 0 HA ALA A -7 0.479 14.935 -25.028 1.00 4.10 H new ATOM 0 HB1 ALA A -7 1.705 16.780 -26.082 1.00 21.13 H new ATOM 0 HB2 ALA A -7 0.038 16.674 -26.698 1.00 21.13 H new ATOM 0 HB3 ALA A -7 0.471 17.929 -25.513 1.00 21.13 H new ATOM 27 N HIS A -6 0.688 17.234 -22.726 1.00 40.40 N ATOM 28 CA HIS A -6 1.334 17.637 -21.500 1.00 35.53 C ATOM 29 C HIS A -6 0.934 16.645 -20.433 1.00 54.43 C ATOM 30 O HIS A -6 -0.252 16.350 -20.292 1.00 54.54 O ATOM 31 CB HIS A -6 0.857 19.041 -21.074 1.00 2.32 C ATOM 32 CG HIS A -6 1.096 20.127 -22.085 1.00 62.41 C ATOM 33 ND1 HIS A -6 1.960 21.175 -21.898 1.00 54.13 N ATOM 34 CD2 HIS A -6 0.526 20.327 -23.300 1.00 60.52 C ATOM 35 CE1 HIS A -6 1.889 21.963 -22.976 1.00 44.51 C ATOM 36 NE2 HIS A -6 1.030 21.487 -23.857 1.00 44.51 N ATOM 0 H HIS A -6 -0.146 17.777 -22.951 1.00 40.40 H new ATOM 0 HA HIS A -6 2.415 17.664 -21.641 1.00 35.53 H new ATOM 0 HB2 HIS A -6 -0.210 18.995 -20.857 1.00 2.32 H new ATOM 0 HB3 HIS A -6 1.359 19.313 -20.146 1.00 2.32 H new ATOM 0 HD2 HIS A -6 -0.207 19.681 -23.760 1.00 60.52 H new ATOM 0 HE1 HIS A -6 2.460 22.870 -23.108 1.00 44.51 H new ATOM 0 HE2 HIS A -6 0.788 21.891 -24.762 1.00 44.51 H new ATOM 44 N HIS A -5 1.885 16.129 -19.700 1.00 41.15 N ATOM 45 CA HIS A -5 1.583 15.169 -18.643 1.00 40.04 C ATOM 46 C HIS A -5 1.566 15.882 -17.288 1.00 62.32 C ATOM 47 O HIS A -5 1.654 15.260 -16.239 1.00 45.23 O ATOM 48 CB HIS A -5 2.577 13.960 -18.656 1.00 3.34 C ATOM 49 CG HIS A -5 4.013 14.249 -18.261 1.00 24.50 C ATOM 50 ND1 HIS A -5 5.016 14.578 -19.145 1.00 50.34 N ATOM 51 CD2 HIS A -5 4.600 14.208 -17.041 1.00 63.52 C ATOM 52 CE1 HIS A -5 6.147 14.722 -18.461 1.00 31.12 C ATOM 53 NE2 HIS A -5 5.952 14.510 -17.170 1.00 54.11 N ATOM 0 H HIS A -5 2.875 16.349 -19.806 1.00 41.15 H new ATOM 0 HA HIS A -5 0.593 14.751 -18.825 1.00 40.04 H new ATOM 0 HB2 HIS A -5 2.188 13.194 -17.985 1.00 3.34 H new ATOM 0 HB3 HIS A -5 2.580 13.534 -19.659 1.00 3.34 H new ATOM 0 HD2 HIS A -5 4.097 13.977 -16.113 1.00 63.52 H new ATOM 0 HE1 HIS A -5 7.099 14.978 -18.901 1.00 31.12 H new ATOM 0 HE2 HIS A -5 6.647 14.558 -16.425 1.00 54.11 H new ATOM 61 N HIS A -4 1.387 17.198 -17.342 1.00 54.45 N ATOM 62 CA HIS A -4 1.398 18.080 -16.170 1.00 52.25 C ATOM 63 C HIS A -4 0.354 17.684 -15.113 1.00 62.04 C ATOM 64 O HIS A -4 0.584 17.863 -13.922 1.00 25.30 O ATOM 65 CB HIS A -4 1.225 19.555 -16.604 1.00 25.44 C ATOM 66 CG HIS A -4 1.305 20.551 -15.474 1.00 62.31 C ATOM 67 ND1 HIS A -4 0.300 21.435 -15.151 1.00 40.22 N ATOM 68 CD2 HIS A -4 2.312 20.792 -14.593 1.00 21.31 C ATOM 69 CE1 HIS A -4 0.708 22.170 -14.117 1.00 63.51 C ATOM 70 NE2 HIS A -4 1.930 21.817 -13.733 1.00 23.31 N ATOM 0 H HIS A -4 1.227 17.696 -18.218 1.00 54.45 H new ATOM 0 HA HIS A -4 2.371 17.965 -15.692 1.00 52.25 H new ATOM 0 HB2 HIS A -4 1.992 19.797 -17.340 1.00 25.44 H new ATOM 0 HB3 HIS A -4 0.261 19.664 -17.101 1.00 25.44 H new ATOM 0 HD2 HIS A -4 3.258 20.271 -14.565 1.00 21.31 H new ATOM 0 HE1 HIS A -4 0.123 22.950 -13.652 1.00 63.51 H new ATOM 0 HE2 HIS A -4 2.474 22.214 -12.968 1.00 23.31 H new ATOM 78 N HIS A -3 -0.753 17.108 -15.531 1.00 10.21 N ATOM 79 CA HIS A -3 -1.792 16.706 -14.583 1.00 73.11 C ATOM 80 C HIS A -3 -1.486 15.344 -13.979 1.00 60.10 C ATOM 81 O HIS A -3 -2.295 14.795 -13.221 1.00 34.43 O ATOM 82 CB HIS A -3 -3.180 16.699 -15.227 1.00 64.32 C ATOM 83 CG HIS A -3 -3.613 18.030 -15.745 1.00 2.22 C ATOM 84 ND1 HIS A -3 -3.780 18.314 -17.073 1.00 42.15 N ATOM 85 CD2 HIS A -3 -3.942 19.158 -15.076 1.00 32.35 C ATOM 86 CE1 HIS A -3 -4.202 19.575 -17.177 1.00 4.34 C ATOM 87 NE2 HIS A -3 -4.314 20.139 -15.985 1.00 31.41 N ATOM 0 H HIS A -3 -0.964 16.906 -16.508 1.00 10.21 H new ATOM 0 HA HIS A -3 -1.797 17.449 -13.785 1.00 73.11 H new ATOM 0 HB2 HIS A -3 -3.185 15.981 -16.047 1.00 64.32 H new ATOM 0 HB3 HIS A -3 -3.908 16.351 -14.494 1.00 64.32 H new ATOM 0 HD2 HIS A -3 -3.919 19.277 -14.003 1.00 32.35 H new ATOM 0 HE1 HIS A -3 -4.423 20.070 -18.111 1.00 4.34 H new ATOM 0 HE2 HIS A -3 -4.611 21.093 -15.778 1.00 31.41 H new ATOM 95 N HIS A -2 -0.314 14.804 -14.336 1.00 20.25 N ATOM 96 CA HIS A -2 0.208 13.520 -13.867 1.00 53.45 C ATOM 97 C HIS A -2 -0.634 12.375 -14.424 1.00 41.45 C ATOM 98 O HIS A -2 -0.245 11.723 -15.392 1.00 3.31 O ATOM 99 CB HIS A -2 0.305 13.473 -12.316 1.00 63.43 C ATOM 100 CG HIS A -2 0.998 12.264 -11.770 1.00 62.03 C ATOM 101 ND1 HIS A -2 0.374 11.260 -11.057 1.00 43.13 N ATOM 102 CD2 HIS A -2 2.297 11.920 -11.839 1.00 53.03 C ATOM 103 CE1 HIS A -2 1.296 10.354 -10.731 1.00 71.23 C ATOM 104 NE2 HIS A -2 2.488 10.710 -11.187 1.00 20.34 N ATOM 0 H HIS A -2 0.320 15.270 -14.985 1.00 20.25 H new ATOM 0 HA HIS A -2 1.225 13.403 -14.242 1.00 53.45 H new ATOM 0 HB2 HIS A -2 0.831 14.363 -11.971 1.00 63.43 H new ATOM 0 HB3 HIS A -2 -0.702 13.517 -11.901 1.00 63.43 H new ATOM 0 HD2 HIS A -2 3.070 12.496 -12.326 1.00 53.03 H new ATOM 0 HE1 HIS A -2 1.098 9.452 -10.171 1.00 71.23 H new ATOM 0 HE2 HIS A -2 3.365 10.200 -11.081 1.00 20.34 H new ATOM 112 N HIS A -1 -1.790 12.201 -13.837 1.00 52.45 N ATOM 113 CA HIS A -1 -2.786 11.211 -14.197 1.00 75.31 C ATOM 114 C HIS A -1 -3.900 11.397 -13.171 1.00 44.33 C ATOM 115 O HIS A -1 -4.522 10.450 -12.702 1.00 33.14 O ATOM 116 CB HIS A -1 -2.193 9.768 -14.113 1.00 23.12 C ATOM 117 CG HIS A -1 -3.028 8.692 -14.788 1.00 52.31 C ATOM 118 ND1 HIS A -1 -2.752 8.175 -16.036 1.00 34.14 N ATOM 119 CD2 HIS A -1 -4.131 8.029 -14.356 1.00 24.23 C ATOM 120 CE1 HIS A -1 -3.670 7.246 -16.313 1.00 40.34 C ATOM 121 NE2 HIS A -1 -4.531 7.116 -15.319 1.00 73.11 N ATOM 0 H HIS A -1 -2.083 12.778 -13.048 1.00 52.45 H new ATOM 0 HA HIS A -1 -3.139 11.336 -15.221 1.00 75.31 H new ATOM 0 HB2 HIS A -1 -1.200 9.772 -14.563 1.00 23.12 H new ATOM 0 HB3 HIS A -1 -2.066 9.504 -13.063 1.00 23.12 H new ATOM 0 HD2 HIS A -1 -4.622 8.189 -13.407 1.00 24.23 H new ATOM 0 HE1 HIS A -1 -3.704 6.676 -17.229 1.00 40.34 H new ATOM 0 HE2 HIS A -1 -5.325 6.477 -15.271 1.00 73.11 H new ATOM 129 N ASN A 60 -4.178 12.647 -12.842 1.00 0.12 N ATOM 130 CA ASN A 60 -5.133 12.954 -11.783 1.00 23.10 C ATOM 131 C ASN A 60 -6.583 12.917 -12.294 1.00 13.30 C ATOM 132 O ASN A 60 -7.324 13.897 -12.235 1.00 34.02 O ATOM 133 CB ASN A 60 -4.810 14.289 -11.100 1.00 24.31 C ATOM 134 CG ASN A 60 -5.617 14.504 -9.828 1.00 51.30 C ATOM 135 OD1 ASN A 60 -5.973 13.547 -9.132 1.00 62.11 O ATOM 136 ND2 ASN A 60 -5.908 15.742 -9.518 1.00 63.42 N ATOM 0 H ASN A 60 -3.760 13.464 -13.288 1.00 0.12 H new ATOM 0 HA ASN A 60 -5.038 12.172 -11.029 1.00 23.10 H new ATOM 0 HB2 ASN A 60 -3.747 14.324 -10.862 1.00 24.31 H new ATOM 0 HB3 ASN A 60 -5.008 15.106 -11.794 1.00 24.31 H new ATOM 0 HD21 ASN A 60 -6.447 15.944 -8.676 1.00 63.42 H new ATOM 0 HD22 ASN A 60 -5.596 16.505 -10.119 1.00 63.42 H new ATOM 143 N GLN A 61 -6.936 11.788 -12.843 1.00 10.35 N ATOM 144 CA GLN A 61 -8.283 11.474 -13.284 1.00 53.24 C ATOM 145 C GLN A 61 -8.750 10.307 -12.441 1.00 63.03 C ATOM 146 O GLN A 61 -9.788 9.689 -12.679 1.00 2.13 O ATOM 147 CB GLN A 61 -8.287 11.079 -14.776 1.00 4.51 C ATOM 148 CG GLN A 61 -7.327 9.940 -15.115 1.00 63.54 C ATOM 149 CD GLN A 61 -7.459 9.434 -16.540 1.00 23.32 C ATOM 150 OE1 GLN A 61 -7.829 10.175 -17.460 1.00 61.14 O ATOM 151 NE2 GLN A 61 -7.149 8.185 -16.734 1.00 63.02 N ATOM 0 H GLN A 61 -6.275 11.028 -13.005 1.00 10.35 H new ATOM 0 HA GLN A 61 -8.939 12.337 -13.171 1.00 53.24 H new ATOM 0 HB2 GLN A 61 -9.297 10.787 -15.062 1.00 4.51 H new ATOM 0 HB3 GLN A 61 -8.026 11.952 -15.374 1.00 4.51 H new ATOM 0 HG2 GLN A 61 -6.304 10.279 -14.952 1.00 63.54 H new ATOM 0 HG3 GLN A 61 -7.502 9.113 -14.427 1.00 63.54 H new ATOM 0 HE21 GLN A 61 -6.848 7.606 -15.950 1.00 63.02 H new ATOM 0 HE22 GLN A 61 -7.207 7.785 -17.670 1.00 63.02 H new ATOM 160 N GLN A 62 -7.974 10.057 -11.418 1.00 40.22 N ATOM 161 CA GLN A 62 -8.143 8.937 -10.554 1.00 52.42 C ATOM 162 C GLN A 62 -8.283 9.340 -9.111 1.00 73.54 C ATOM 163 O GLN A 62 -7.333 9.832 -8.498 1.00 44.11 O ATOM 164 CB GLN A 62 -6.960 7.984 -10.716 1.00 73.33 C ATOM 165 CG GLN A 62 -7.213 6.881 -11.708 1.00 54.35 C ATOM 166 CD GLN A 62 -8.270 5.942 -11.182 1.00 55.13 C ATOM 167 OE1 GLN A 62 -8.391 5.762 -9.972 1.00 35.41 O ATOM 168 NE2 GLN A 62 -9.049 5.379 -12.046 1.00 0.35 N ATOM 0 H GLN A 62 -7.185 10.651 -11.163 1.00 40.22 H new ATOM 0 HA GLN A 62 -9.069 8.439 -10.839 1.00 52.42 H new ATOM 0 HB2 GLN A 62 -6.085 8.553 -11.031 1.00 73.33 H new ATOM 0 HB3 GLN A 62 -6.722 7.544 -9.748 1.00 73.33 H new ATOM 0 HG2 GLN A 62 -7.533 7.304 -12.660 1.00 54.35 H new ATOM 0 HG3 GLN A 62 -6.290 6.333 -11.897 1.00 54.35 H new ATOM 0 HE21 GLN A 62 -8.916 5.554 -13.042 1.00 0.35 H new ATOM 0 HE22 GLN A 62 -9.796 4.760 -11.732 1.00 0.35 H new ATOM 177 N ASN A 63 -9.472 9.178 -8.583 1.00 61.11 N ATOM 178 CA ASN A 63 -9.705 9.359 -7.156 1.00 41.04 C ATOM 179 C ASN A 63 -9.797 7.994 -6.486 1.00 10.44 C ATOM 180 O ASN A 63 -9.835 7.882 -5.265 1.00 23.01 O ATOM 181 CB ASN A 63 -10.962 10.229 -6.853 1.00 44.55 C ATOM 182 CG ASN A 63 -12.289 9.697 -7.412 1.00 25.51 C ATOM 183 OD1 ASN A 63 -12.497 8.490 -7.572 1.00 52.25 O ATOM 184 ND2 ASN A 63 -13.194 10.596 -7.698 1.00 5.51 N ATOM 0 H ASN A 63 -10.302 8.920 -9.117 1.00 61.11 H new ATOM 0 HA ASN A 63 -8.860 9.911 -6.744 1.00 41.04 H new ATOM 0 HB2 ASN A 63 -11.059 10.331 -5.772 1.00 44.55 H new ATOM 0 HB3 ASN A 63 -10.795 11.229 -7.254 1.00 44.55 H new ATOM 0 HD21 ASN A 63 -14.101 10.308 -8.064 1.00 5.51 H new ATOM 0 HD22 ASN A 63 -12.993 11.586 -7.555 1.00 5.51 H new ATOM 191 N LYS A 64 -9.780 6.948 -7.317 1.00 71.32 N ATOM 192 CA LYS A 64 -9.854 5.560 -6.855 1.00 22.51 C ATOM 193 C LYS A 64 -8.469 5.079 -6.453 1.00 24.40 C ATOM 194 O LYS A 64 -8.282 3.940 -5.992 1.00 12.21 O ATOM 195 CB LYS A 64 -10.408 4.646 -7.959 1.00 73.40 C ATOM 196 CG LYS A 64 -11.800 5.006 -8.472 1.00 74.23 C ATOM 197 CD LYS A 64 -12.920 4.862 -7.423 1.00 42.43 C ATOM 198 CE LYS A 64 -13.254 3.404 -7.032 1.00 43.44 C ATOM 199 NZ LYS A 64 -12.218 2.746 -6.195 1.00 35.43 N ATOM 0 H LYS A 64 -9.714 7.041 -8.331 1.00 71.32 H new ATOM 0 HA LYS A 64 -10.524 5.519 -5.997 1.00 22.51 H new ATOM 0 HB2 LYS A 64 -9.715 4.660 -8.800 1.00 73.40 H new ATOM 0 HB3 LYS A 64 -10.432 3.623 -7.582 1.00 73.40 H new ATOM 0 HG2 LYS A 64 -11.787 6.034 -8.833 1.00 74.23 H new ATOM 0 HG3 LYS A 64 -12.035 4.371 -9.326 1.00 74.23 H new ATOM 0 HD2 LYS A 64 -12.631 5.408 -6.525 1.00 42.43 H new ATOM 0 HD3 LYS A 64 -13.823 5.337 -7.807 1.00 42.43 H new ATOM 0 HE2 LYS A 64 -14.202 3.392 -6.494 1.00 43.44 H new ATOM 0 HE3 LYS A 64 -13.396 2.819 -7.941 1.00 43.44 H new ATOM 0 HZ1 LYS A 64 -12.678 2.185 -5.450 1.00 35.43 H new ATOM 0 HZ2 LYS A 64 -11.636 2.122 -6.790 1.00 35.43 H new ATOM 0 HZ3 LYS A 64 -11.613 3.470 -5.758 1.00 35.43 H new ATOM 213 N LYS A 65 -7.495 5.926 -6.678 1.00 75.33 N ATOM 214 CA LYS A 65 -6.153 5.626 -6.320 1.00 54.43 C ATOM 215 C LYS A 65 -5.897 6.048 -4.876 1.00 12.00 C ATOM 216 O LYS A 65 -6.722 6.768 -4.284 1.00 4.54 O ATOM 217 CB LYS A 65 -5.144 6.239 -7.345 1.00 34.41 C ATOM 218 CG LYS A 65 -5.108 7.767 -7.450 1.00 41.33 C ATOM 219 CD LYS A 65 -4.300 8.402 -6.334 1.00 1.42 C ATOM 220 CE LYS A 65 -2.805 8.188 -6.504 1.00 65.14 C ATOM 221 NZ LYS A 65 -2.259 8.945 -7.645 1.00 35.54 N ATOM 0 H LYS A 65 -7.622 6.839 -7.115 1.00 75.33 H new ATOM 0 HA LYS A 65 -5.992 4.549 -6.367 1.00 54.43 H new ATOM 0 HB2 LYS A 65 -4.144 5.893 -7.085 1.00 34.41 H new ATOM 0 HB3 LYS A 65 -5.375 5.836 -8.331 1.00 34.41 H new ATOM 0 HG2 LYS A 65 -4.682 8.053 -8.412 1.00 41.33 H new ATOM 0 HG3 LYS A 65 -6.126 8.155 -7.424 1.00 41.33 H new ATOM 0 HD2 LYS A 65 -4.509 9.471 -6.301 1.00 1.42 H new ATOM 0 HD3 LYS A 65 -4.617 7.986 -5.378 1.00 1.42 H new ATOM 0 HE2 LYS A 65 -2.291 8.489 -5.591 1.00 65.14 H new ATOM 0 HE3 LYS A 65 -2.606 7.126 -6.646 1.00 65.14 H new ATOM 0 HZ1 LYS A 65 -1.239 9.094 -7.506 1.00 35.54 H new ATOM 0 HZ2 LYS A 65 -2.414 8.410 -8.523 1.00 35.54 H new ATOM 0 HZ3 LYS A 65 -2.738 9.866 -7.712 1.00 35.54 H new ATOM 235 N VAL A 66 -4.780 5.589 -4.349 1.00 31.40 N ATOM 236 CA VAL A 66 -4.312 5.828 -2.979 1.00 1.23 C ATOM 237 C VAL A 66 -4.547 7.309 -2.510 1.00 12.24 C ATOM 238 O VAL A 66 -4.258 8.272 -3.240 1.00 61.23 O ATOM 239 CB VAL A 66 -2.791 5.454 -2.909 1.00 43.33 C ATOM 240 CG1 VAL A 66 -1.866 6.568 -3.379 1.00 25.21 C ATOM 241 CG2 VAL A 66 -2.374 4.891 -1.575 1.00 43.02 C ATOM 0 H VAL A 66 -4.134 5.008 -4.884 1.00 31.40 H new ATOM 0 HA VAL A 66 -4.890 5.204 -2.298 1.00 1.23 H new ATOM 0 HB VAL A 66 -2.675 4.645 -3.630 1.00 43.33 H new ATOM 0 HG11 VAL A 66 -0.830 6.237 -3.302 1.00 25.21 H new ATOM 0 HG12 VAL A 66 -2.092 6.815 -4.416 1.00 25.21 H new ATOM 0 HG13 VAL A 66 -2.012 7.450 -2.755 1.00 25.21 H new ATOM 0 HG21 VAL A 66 -1.310 4.654 -1.597 1.00 43.02 H new ATOM 0 HG22 VAL A 66 -2.566 5.626 -0.794 1.00 43.02 H new ATOM 0 HG23 VAL A 66 -2.943 3.985 -1.368 1.00 43.02 H new ATOM 251 N GLU A 67 -5.138 7.485 -1.347 1.00 71.55 N ATOM 252 CA GLU A 67 -5.382 8.829 -0.843 1.00 54.02 C ATOM 253 C GLU A 67 -4.304 9.246 0.130 1.00 65.13 C ATOM 254 O GLU A 67 -3.418 10.029 -0.203 1.00 15.45 O ATOM 255 CB GLU A 67 -6.712 8.909 -0.144 1.00 55.24 C ATOM 256 CG GLU A 67 -7.862 8.391 -0.938 1.00 12.15 C ATOM 257 CD GLU A 67 -9.122 8.495 -0.142 1.00 53.31 C ATOM 258 OE1 GLU A 67 -9.297 7.726 0.822 1.00 22.21 O ATOM 259 OE2 GLU A 67 -9.938 9.405 -0.410 1.00 0.34 O ATOM 0 H GLU A 67 -5.456 6.731 -0.738 1.00 71.55 H new ATOM 0 HA GLU A 67 -5.379 9.499 -1.703 1.00 54.02 H new ATOM 0 HB2 GLU A 67 -6.651 8.350 0.790 1.00 55.24 H new ATOM 0 HB3 GLU A 67 -6.908 9.949 0.119 1.00 55.24 H new ATOM 0 HG2 GLU A 67 -7.960 8.958 -1.864 1.00 12.15 H new ATOM 0 HG3 GLU A 67 -7.683 7.353 -1.217 1.00 12.15 H new ATOM 266 N GLY A 68 -4.375 8.715 1.336 1.00 24.35 N ATOM 267 CA GLY A 68 -3.397 9.053 2.341 1.00 24.41 C ATOM 268 C GLY A 68 -3.128 7.922 3.291 1.00 14.54 C ATOM 269 O GLY A 68 -2.305 8.043 4.207 1.00 25.35 O ATOM 0 H GLY A 68 -5.093 8.056 1.637 1.00 24.35 H new ATOM 0 HA2 GLY A 68 -2.466 9.342 1.853 1.00 24.41 H new ATOM 0 HA3 GLY A 68 -3.744 9.920 2.903 1.00 24.41 H new ATOM 273 N GLY A 69 -3.785 6.825 3.074 1.00 65.43 N ATOM 274 CA GLY A 69 -3.588 5.708 3.920 1.00 4.42 C ATOM 275 C GLY A 69 -2.875 4.598 3.226 1.00 43.35 C ATOM 276 O GLY A 69 -2.154 4.819 2.264 1.00 41.30 O ATOM 0 H GLY A 69 -4.458 6.687 2.320 1.00 65.43 H new ATOM 0 HA2 GLY A 69 -3.016 6.014 4.796 1.00 4.42 H new ATOM 0 HA3 GLY A 69 -4.553 5.350 4.278 1.00 4.42 H new ATOM 280 N TYR A 70 -3.106 3.407 3.661 1.00 53.32 N ATOM 281 CA TYR A 70 -2.460 2.260 3.094 1.00 35.34 C ATOM 282 C TYR A 70 -3.460 1.488 2.298 1.00 41.14 C ATOM 283 O TYR A 70 -4.462 1.005 2.830 1.00 0.24 O ATOM 284 CB TYR A 70 -1.834 1.405 4.193 1.00 12.02 C ATOM 285 CG TYR A 70 -1.077 2.230 5.202 1.00 4.30 C ATOM 286 CD1 TYR A 70 -0.054 3.092 4.813 1.00 42.15 C ATOM 287 CD2 TYR A 70 -1.434 2.204 6.533 1.00 64.11 C ATOM 288 CE1 TYR A 70 0.588 3.887 5.734 1.00 20.21 C ATOM 289 CE2 TYR A 70 -0.812 3.002 7.449 1.00 43.02 C ATOM 290 CZ TYR A 70 0.200 3.840 7.052 1.00 54.30 C ATOM 291 OH TYR A 70 0.808 4.664 7.975 1.00 11.22 O ATOM 0 H TYR A 70 -3.750 3.194 4.423 1.00 53.32 H new ATOM 0 HA TYR A 70 -1.653 2.575 2.432 1.00 35.34 H new ATOM 0 HB2 TYR A 70 -2.617 0.842 4.702 1.00 12.02 H new ATOM 0 HB3 TYR A 70 -1.159 0.677 3.743 1.00 12.02 H new ATOM 0 HD1 TYR A 70 0.239 3.137 3.774 1.00 42.15 H new ATOM 0 HD2 TYR A 70 -2.221 1.539 6.857 1.00 64.11 H new ATOM 0 HE1 TYR A 70 1.389 4.542 5.425 1.00 20.21 H new ATOM 0 HE2 TYR A 70 -1.116 2.974 8.485 1.00 43.02 H new ATOM 0 HH TYR A 70 0.418 4.508 8.860 1.00 11.22 H new ATOM 301 N GLU A 71 -3.223 1.462 1.028 1.00 4.44 N ATOM 302 CA GLU A 71 -4.042 0.776 0.072 1.00 52.45 C ATOM 303 C GLU A 71 -3.420 -0.571 -0.159 1.00 44.04 C ATOM 304 O GLU A 71 -2.264 -0.627 -0.540 1.00 24.51 O ATOM 305 CB GLU A 71 -4.009 1.560 -1.246 1.00 62.23 C ATOM 306 CG GLU A 71 -4.757 0.918 -2.396 1.00 11.44 C ATOM 307 CD GLU A 71 -4.345 1.504 -3.737 1.00 23.05 C ATOM 308 OE1 GLU A 71 -3.311 1.060 -4.301 1.00 63.21 O ATOM 309 OE2 GLU A 71 -5.049 2.412 -4.253 1.00 52.35 O ATOM 0 H GLU A 71 -2.423 1.935 0.607 1.00 4.44 H new ATOM 0 HA GLU A 71 -5.069 0.682 0.425 1.00 52.45 H new ATOM 0 HB2 GLU A 71 -4.426 2.552 -1.071 1.00 62.23 H new ATOM 0 HB3 GLU A 71 -2.969 1.699 -1.542 1.00 62.23 H new ATOM 0 HG2 GLU A 71 -4.570 -0.156 -2.396 1.00 11.44 H new ATOM 0 HG3 GLU A 71 -5.829 1.055 -2.254 1.00 11.44 H new ATOM 316 N CYS A 72 -4.140 -1.631 0.131 1.00 42.02 N ATOM 317 CA CYS A 72 -3.640 -2.963 -0.162 1.00 74.25 C ATOM 318 C CYS A 72 -3.637 -3.203 -1.664 1.00 33.20 C ATOM 319 O CYS A 72 -4.450 -2.664 -2.393 1.00 11.30 O ATOM 320 CB CYS A 72 -4.515 -4.061 0.430 1.00 53.10 C ATOM 321 SG CYS A 72 -4.727 -4.134 2.250 1.00 14.43 S ATOM 0 H CYS A 72 -5.063 -1.603 0.564 1.00 42.02 H new ATOM 0 HA CYS A 72 -2.641 -3.005 0.271 1.00 74.25 H new ATOM 0 HB2 CYS A 72 -5.506 -3.969 -0.015 1.00 53.10 H new ATOM 0 HB3 CYS A 72 -4.108 -5.019 0.106 1.00 53.10 H new ATOM 0 HG CYS A 72 -5.931 -4.537 2.531 1.00 14.43 H new ATOM 326 N LYS A 73 -2.748 -4.040 -2.103 1.00 2.13 N ATOM 327 CA LYS A 73 -2.727 -4.454 -3.473 1.00 71.24 C ATOM 328 C LYS A 73 -3.839 -5.472 -3.749 1.00 1.10 C ATOM 329 O LYS A 73 -4.357 -5.564 -4.861 1.00 52.31 O ATOM 330 CB LYS A 73 -1.330 -5.005 -3.848 1.00 55.04 C ATOM 331 CG LYS A 73 -1.238 -5.578 -5.258 1.00 11.35 C ATOM 332 CD LYS A 73 -1.433 -7.082 -5.251 1.00 64.52 C ATOM 333 CE LYS A 73 -1.697 -7.630 -6.652 1.00 24.25 C ATOM 334 NZ LYS A 73 -0.721 -7.143 -7.636 1.00 52.13 N ATOM 0 H LYS A 73 -2.018 -4.455 -1.524 1.00 2.13 H new ATOM 0 HA LYS A 73 -2.919 -3.588 -4.107 1.00 71.24 H new ATOM 0 HB2 LYS A 73 -0.597 -4.204 -3.745 1.00 55.04 H new ATOM 0 HB3 LYS A 73 -1.055 -5.782 -3.134 1.00 55.04 H new ATOM 0 HG2 LYS A 73 -1.993 -5.113 -5.892 1.00 11.35 H new ATOM 0 HG3 LYS A 73 -0.267 -5.336 -5.689 1.00 11.35 H new ATOM 0 HD2 LYS A 73 -0.546 -7.561 -4.835 1.00 64.52 H new ATOM 0 HD3 LYS A 73 -2.268 -7.336 -4.599 1.00 64.52 H new ATOM 0 HE2 LYS A 73 -1.669 -8.719 -6.625 1.00 24.25 H new ATOM 0 HE3 LYS A 73 -2.701 -7.345 -6.968 1.00 24.25 H new ATOM 0 HZ1 LYS A 73 -0.478 -7.911 -8.293 1.00 52.13 H new ATOM 0 HZ2 LYS A 73 -1.131 -6.349 -8.168 1.00 52.13 H new ATOM 0 HZ3 LYS A 73 0.138 -6.823 -7.144 1.00 52.13 H new ATOM 348 N TYR A 74 -4.242 -6.189 -2.725 1.00 21.33 N ATOM 349 CA TYR A 74 -5.198 -7.257 -2.898 1.00 53.32 C ATOM 350 C TYR A 74 -6.604 -6.852 -2.493 1.00 65.51 C ATOM 351 O TYR A 74 -7.539 -7.642 -2.606 1.00 60.12 O ATOM 352 CB TYR A 74 -4.738 -8.558 -2.202 1.00 31.41 C ATOM 353 CG TYR A 74 -3.530 -8.414 -1.280 1.00 50.43 C ATOM 354 CD1 TYR A 74 -2.234 -8.556 -1.773 1.00 22.11 C ATOM 355 CD2 TYR A 74 -3.683 -8.147 0.068 1.00 0.32 C ATOM 356 CE1 TYR A 74 -1.135 -8.437 -0.945 1.00 60.30 C ATOM 357 CE2 TYR A 74 -2.587 -8.025 0.905 1.00 13.15 C ATOM 358 CZ TYR A 74 -1.318 -8.170 0.394 1.00 12.13 C ATOM 359 OH TYR A 74 -0.230 -8.054 1.228 1.00 43.43 O ATOM 0 H TYR A 74 -3.923 -6.052 -1.766 1.00 21.33 H new ATOM 0 HA TYR A 74 -5.241 -7.467 -3.967 1.00 53.32 H new ATOM 0 HB2 TYR A 74 -5.571 -8.954 -1.622 1.00 31.41 H new ATOM 0 HB3 TYR A 74 -4.503 -9.297 -2.968 1.00 31.41 H new ATOM 0 HD1 TYR A 74 -2.086 -8.763 -2.823 1.00 22.11 H new ATOM 0 HD2 TYR A 74 -4.676 -8.031 0.476 1.00 0.32 H new ATOM 0 HE1 TYR A 74 -0.138 -8.553 -1.345 1.00 60.30 H new ATOM 0 HE2 TYR A 74 -2.728 -7.817 1.955 1.00 13.15 H new ATOM 0 HH TYR A 74 -0.535 -7.864 2.140 1.00 43.43 H new ATOM 369 N CYS A 75 -6.752 -5.624 -2.055 1.00 52.24 N ATOM 370 CA CYS A 75 -8.038 -5.094 -1.703 1.00 43.02 C ATOM 371 C CYS A 75 -7.961 -3.590 -1.797 1.00 63.20 C ATOM 372 O CYS A 75 -6.996 -3.005 -1.349 1.00 5.13 O ATOM 373 CB CYS A 75 -8.485 -5.566 -0.284 1.00 10.01 C ATOM 374 SG CYS A 75 -7.498 -4.954 1.169 1.00 12.22 S ATOM 0 H CYS A 75 -5.981 -4.968 -1.934 1.00 52.24 H new ATOM 0 HA CYS A 75 -8.796 -5.466 -2.392 1.00 43.02 H new ATOM 0 HB2 CYS A 75 -9.522 -5.263 -0.139 1.00 10.01 H new ATOM 0 HB3 CYS A 75 -8.466 -6.656 -0.270 1.00 10.01 H new ATOM 0 HG CYS A 75 -6.698 -5.894 1.577 1.00 12.22 H new ATOM 379 N THR A 76 -8.965 -2.970 -2.362 1.00 63.21 N ATOM 380 CA THR A 76 -8.959 -1.528 -2.554 1.00 61.32 C ATOM 381 C THR A 76 -9.445 -0.823 -1.253 1.00 42.32 C ATOM 382 O THR A 76 -9.734 0.382 -1.218 1.00 3.44 O ATOM 383 CB THR A 76 -9.849 -1.155 -3.773 1.00 71.23 C ATOM 384 OG1 THR A 76 -9.570 -2.082 -4.862 1.00 62.11 O ATOM 385 CG2 THR A 76 -9.534 0.255 -4.265 1.00 24.21 C ATOM 0 H THR A 76 -9.806 -3.438 -2.702 1.00 63.21 H new ATOM 0 HA THR A 76 -7.945 -1.187 -2.763 1.00 61.32 H new ATOM 0 HB THR A 76 -10.893 -1.206 -3.465 1.00 71.23 H new ATOM 0 HG1 THR A 76 -10.224 -1.950 -5.580 1.00 62.11 H new ATOM 0 HG21 THR A 76 -10.169 0.493 -5.118 1.00 24.21 H new ATOM 0 HG22 THR A 76 -9.720 0.970 -3.464 1.00 24.21 H new ATOM 0 HG23 THR A 76 -8.488 0.310 -4.565 1.00 24.21 H new ATOM 393 N PHE A 77 -9.511 -1.601 -0.184 1.00 45.51 N ATOM 394 CA PHE A 77 -9.859 -1.095 1.103 1.00 25.25 C ATOM 395 C PHE A 77 -8.614 -0.475 1.708 1.00 73.22 C ATOM 396 O PHE A 77 -7.644 -1.179 2.048 1.00 51.14 O ATOM 397 CB PHE A 77 -10.410 -2.215 2.002 1.00 65.52 C ATOM 398 CG PHE A 77 -10.826 -1.749 3.376 1.00 71.23 C ATOM 399 CD1 PHE A 77 -12.002 -1.043 3.552 1.00 2.13 C ATOM 400 CD2 PHE A 77 -10.034 -2.011 4.486 1.00 13.23 C ATOM 401 CE1 PHE A 77 -12.384 -0.609 4.805 1.00 53.34 C ATOM 402 CE2 PHE A 77 -10.410 -1.578 5.741 1.00 64.43 C ATOM 403 CZ PHE A 77 -11.587 -0.876 5.901 1.00 55.33 C ATOM 0 H PHE A 77 -9.321 -2.603 -0.201 1.00 45.51 H new ATOM 0 HA PHE A 77 -10.645 -0.345 1.013 1.00 25.25 H new ATOM 0 HB2 PHE A 77 -11.268 -2.673 1.510 1.00 65.52 H new ATOM 0 HB3 PHE A 77 -9.651 -2.990 2.107 1.00 65.52 H new ATOM 0 HD1 PHE A 77 -12.629 -0.829 2.699 1.00 2.13 H new ATOM 0 HD2 PHE A 77 -9.112 -2.561 4.366 1.00 13.23 H new ATOM 0 HE1 PHE A 77 -13.306 -0.061 4.929 1.00 53.34 H new ATOM 0 HE2 PHE A 77 -9.785 -1.788 6.596 1.00 64.43 H new ATOM 0 HZ PHE A 77 -11.885 -0.536 6.882 1.00 55.33 H new ATOM 413 N GLN A 78 -8.641 0.814 1.818 1.00 64.44 N ATOM 414 CA GLN A 78 -7.534 1.566 2.307 1.00 41.01 C ATOM 415 C GLN A 78 -7.821 2.123 3.682 1.00 55.41 C ATOM 416 O GLN A 78 -8.961 2.493 3.998 1.00 22.43 O ATOM 417 CB GLN A 78 -7.171 2.691 1.315 1.00 72.54 C ATOM 418 CG GLN A 78 -6.378 3.834 1.918 1.00 62.41 C ATOM 419 CD GLN A 78 -5.776 4.753 0.899 1.00 3.43 C ATOM 420 OE1 GLN A 78 -6.382 5.686 0.433 1.00 62.42 O ATOM 421 NE2 GLN A 78 -4.544 4.568 0.649 1.00 43.21 N ATOM 0 H GLN A 78 -9.449 1.383 1.565 1.00 64.44 H new ATOM 0 HA GLN A 78 -6.677 0.898 2.396 1.00 41.01 H new ATOM 0 HB2 GLN A 78 -6.597 2.262 0.494 1.00 72.54 H new ATOM 0 HB3 GLN A 78 -8.090 3.090 0.887 1.00 72.54 H new ATOM 0 HG2 GLN A 78 -7.030 4.411 2.574 1.00 62.41 H new ATOM 0 HG3 GLN A 78 -5.582 3.424 2.540 1.00 62.41 H new ATOM 0 HE21 GLN A 78 -4.055 3.771 1.056 1.00 43.21 H new ATOM 0 HE22 GLN A 78 -4.044 5.217 0.041 1.00 43.21 H new ATOM 430 N THR A 79 -6.805 2.137 4.500 1.00 65.32 N ATOM 431 CA THR A 79 -6.878 2.696 5.809 1.00 43.45 C ATOM 432 C THR A 79 -5.527 3.329 6.165 1.00 74.43 C ATOM 433 O THR A 79 -4.486 2.740 5.920 1.00 51.04 O ATOM 434 CB THR A 79 -7.285 1.631 6.866 1.00 53.34 C ATOM 435 OG1 THR A 79 -7.266 2.197 8.176 1.00 4.52 O ATOM 436 CG2 THR A 79 -6.370 0.420 6.828 1.00 33.35 C ATOM 0 H THR A 79 -5.890 1.752 4.265 1.00 65.32 H new ATOM 0 HA THR A 79 -7.652 3.463 5.816 1.00 43.45 H new ATOM 0 HB THR A 79 -8.295 1.304 6.621 1.00 53.34 H new ATOM 0 HG1 THR A 79 -8.033 1.864 8.687 1.00 4.52 H new ATOM 0 HG21 THR A 79 -6.688 -0.300 7.582 1.00 33.35 H new ATOM 0 HG22 THR A 79 -6.418 -0.042 5.842 1.00 33.35 H new ATOM 0 HG23 THR A 79 -5.346 0.731 7.033 1.00 33.35 H new ATOM 444 N PRO A 80 -5.522 4.585 6.621 1.00 4.35 N ATOM 445 CA PRO A 80 -4.299 5.257 7.102 1.00 65.43 C ATOM 446 C PRO A 80 -3.830 4.743 8.461 1.00 74.35 C ATOM 447 O PRO A 80 -2.780 5.144 8.966 1.00 61.01 O ATOM 448 CB PRO A 80 -4.706 6.724 7.187 1.00 12.52 C ATOM 449 CG PRO A 80 -6.181 6.690 7.380 1.00 5.04 C ATOM 450 CD PRO A 80 -6.674 5.503 6.603 1.00 25.33 C ATOM 0 HA PRO A 80 -3.454 5.075 6.438 1.00 65.43 H new ATOM 0 HB2 PRO A 80 -4.209 7.227 8.016 1.00 12.52 H new ATOM 0 HB3 PRO A 80 -4.437 7.264 6.279 1.00 12.52 H new ATOM 0 HG2 PRO A 80 -6.434 6.597 8.436 1.00 5.04 H new ATOM 0 HG3 PRO A 80 -6.643 7.610 7.021 1.00 5.04 H new ATOM 0 HD2 PRO A 80 -7.553 5.055 7.067 1.00 25.33 H new ATOM 0 HD3 PRO A 80 -6.955 5.776 5.586 1.00 25.33 H new ATOM 458 N ASP A 81 -4.596 3.861 9.034 1.00 3.44 N ATOM 459 CA ASP A 81 -4.265 3.279 10.298 1.00 4.10 C ATOM 460 C ASP A 81 -3.566 1.974 10.051 1.00 70.02 C ATOM 461 O ASP A 81 -4.185 1.028 9.570 1.00 63.21 O ATOM 462 CB ASP A 81 -5.523 3.042 11.130 1.00 64.10 C ATOM 463 CG ASP A 81 -6.290 4.304 11.433 1.00 3.03 C ATOM 464 OD1 ASP A 81 -5.924 5.011 12.390 1.00 4.13 O ATOM 465 OD2 ASP A 81 -7.265 4.611 10.724 1.00 72.55 O ATOM 0 H ASP A 81 -5.472 3.525 8.634 1.00 3.44 H new ATOM 0 HA ASP A 81 -3.617 3.958 10.851 1.00 4.10 H new ATOM 0 HB2 ASP A 81 -6.175 2.349 10.599 1.00 64.10 H new ATOM 0 HB3 ASP A 81 -5.244 2.562 12.068 1.00 64.10 H new ATOM 470 N LEU A 82 -2.276 1.933 10.334 1.00 12.14 N ATOM 471 CA LEU A 82 -1.446 0.760 10.134 1.00 55.21 C ATOM 472 C LEU A 82 -2.056 -0.441 10.840 1.00 31.33 C ATOM 473 O LEU A 82 -2.132 -1.518 10.263 1.00 44.14 O ATOM 474 CB LEU A 82 -0.028 1.019 10.681 1.00 64.44 C ATOM 475 CG LEU A 82 1.151 0.247 10.029 1.00 1.20 C ATOM 476 CD1 LEU A 82 0.949 -1.251 10.035 1.00 71.24 C ATOM 477 CD2 LEU A 82 1.380 0.738 8.624 1.00 24.31 C ATOM 0 H LEU A 82 -1.767 2.730 10.717 1.00 12.14 H new ATOM 0 HA LEU A 82 -1.386 0.551 9.066 1.00 55.21 H new ATOM 0 HB2 LEU A 82 0.177 2.085 10.588 1.00 64.44 H new ATOM 0 HB3 LEU A 82 -0.032 0.787 11.746 1.00 64.44 H new ATOM 0 HG LEU A 82 2.034 0.447 10.636 1.00 1.20 H new ATOM 0 HD11 LEU A 82 1.806 -1.736 9.566 1.00 71.24 H new ATOM 0 HD12 LEU A 82 0.852 -1.601 11.063 1.00 71.24 H new ATOM 0 HD13 LEU A 82 0.044 -1.498 9.480 1.00 71.24 H new ATOM 0 HD21 LEU A 82 2.209 0.189 8.177 1.00 24.31 H new ATOM 0 HD22 LEU A 82 0.479 0.579 8.032 1.00 24.31 H new ATOM 0 HD23 LEU A 82 1.618 1.801 8.644 1.00 24.31 H new ATOM 489 N ASN A 83 -2.519 -0.253 12.070 1.00 23.13 N ATOM 490 CA ASN A 83 -3.076 -1.337 12.830 1.00 61.32 C ATOM 491 C ASN A 83 -4.301 -1.884 12.116 1.00 14.14 C ATOM 492 O ASN A 83 -4.450 -3.070 12.011 1.00 24.03 O ATOM 493 CB ASN A 83 -3.448 -0.902 14.244 1.00 10.32 C ATOM 494 CG ASN A 83 -3.524 -2.072 15.234 1.00 1.24 C ATOM 495 OD1 ASN A 83 -3.293 -1.895 16.428 1.00 34.23 O ATOM 496 ND2 ASN A 83 -3.812 -3.257 14.766 1.00 30.13 N ATOM 0 H ASN A 83 -2.514 0.646 12.553 1.00 23.13 H new ATOM 0 HA ASN A 83 -2.318 -2.116 12.912 1.00 61.32 H new ATOM 0 HB2 ASN A 83 -2.714 -0.180 14.600 1.00 10.32 H new ATOM 0 HB3 ASN A 83 -4.411 -0.392 14.219 1.00 10.32 H new ATOM 0 HD21 ASN A 83 -3.849 -4.059 15.395 1.00 30.13 H new ATOM 0 HD22 ASN A 83 -4.000 -3.381 13.771 1.00 30.13 H new ATOM 503 N MET A 84 -5.135 -1.006 11.570 1.00 13.44 N ATOM 504 CA MET A 84 -6.335 -1.446 10.848 1.00 71.11 C ATOM 505 C MET A 84 -5.924 -2.099 9.551 1.00 52.11 C ATOM 506 O MET A 84 -6.582 -3.032 9.064 1.00 3.55 O ATOM 507 CB MET A 84 -7.274 -0.282 10.534 1.00 64.31 C ATOM 508 CG MET A 84 -7.710 0.511 11.735 1.00 35.35 C ATOM 509 SD MET A 84 -8.633 -0.454 12.936 1.00 32.42 S ATOM 510 CE MET A 84 -8.930 0.808 14.176 1.00 21.12 C ATOM 0 H MET A 84 -5.009 0.005 11.610 1.00 13.44 H new ATOM 0 HA MET A 84 -6.867 -2.149 11.489 1.00 71.11 H new ATOM 0 HB2 MET A 84 -6.778 0.389 9.832 1.00 64.31 H new ATOM 0 HB3 MET A 84 -8.159 -0.672 10.031 1.00 64.31 H new ATOM 0 HG2 MET A 84 -6.830 0.934 12.220 1.00 35.35 H new ATOM 0 HG3 MET A 84 -8.325 1.348 11.404 1.00 35.35 H new ATOM 0 HE1 MET A 84 -9.497 0.380 15.003 1.00 21.12 H new ATOM 0 HE2 MET A 84 -7.977 1.185 14.547 1.00 21.12 H new ATOM 0 HE3 MET A 84 -9.497 1.627 13.733 1.00 21.12 H new ATOM 520 N PHE A 85 -4.838 -1.600 8.986 1.00 25.35 N ATOM 521 CA PHE A 85 -4.297 -2.139 7.767 1.00 63.05 C ATOM 522 C PHE A 85 -3.845 -3.569 7.973 1.00 74.21 C ATOM 523 O PHE A 85 -4.367 -4.474 7.344 1.00 62.22 O ATOM 524 CB PHE A 85 -3.128 -1.260 7.266 1.00 73.24 C ATOM 525 CG PHE A 85 -2.376 -1.842 6.098 1.00 71.04 C ATOM 526 CD1 PHE A 85 -2.904 -1.800 4.816 1.00 64.12 C ATOM 527 CD2 PHE A 85 -1.136 -2.437 6.288 1.00 13.15 C ATOM 528 CE1 PHE A 85 -2.209 -2.336 3.749 1.00 12.20 C ATOM 529 CE2 PHE A 85 -0.440 -2.974 5.225 1.00 35.52 C ATOM 530 CZ PHE A 85 -0.978 -2.924 3.952 1.00 5.12 C ATOM 0 H PHE A 85 -4.313 -0.812 9.365 1.00 25.35 H new ATOM 0 HA PHE A 85 -5.079 -2.137 7.007 1.00 63.05 H new ATOM 0 HB2 PHE A 85 -3.518 -0.283 6.982 1.00 73.24 H new ATOM 0 HB3 PHE A 85 -2.431 -1.098 8.088 1.00 73.24 H new ATOM 0 HD1 PHE A 85 -3.869 -1.343 4.650 1.00 64.12 H new ATOM 0 HD2 PHE A 85 -0.711 -2.480 7.280 1.00 13.15 H new ATOM 0 HE1 PHE A 85 -2.630 -2.295 2.755 1.00 12.20 H new ATOM 0 HE2 PHE A 85 0.524 -3.433 5.387 1.00 35.52 H new ATOM 0 HZ PHE A 85 -0.435 -3.345 3.118 1.00 5.12 H new ATOM 540 N THR A 86 -2.986 -3.774 8.934 1.00 12.33 N ATOM 541 CA THR A 86 -2.438 -5.084 9.181 1.00 11.11 C ATOM 542 C THR A 86 -3.495 -6.008 9.804 1.00 64.10 C ATOM 543 O THR A 86 -3.479 -7.211 9.582 1.00 52.14 O ATOM 544 CB THR A 86 -1.112 -5.024 10.020 1.00 15.24 C ATOM 545 OG1 THR A 86 -0.554 -6.333 10.212 1.00 0.02 O ATOM 546 CG2 THR A 86 -1.329 -4.361 11.365 1.00 4.03 C ATOM 0 H THR A 86 -2.647 -3.047 9.564 1.00 12.33 H new ATOM 0 HA THR A 86 -2.158 -5.516 8.220 1.00 11.11 H new ATOM 0 HB THR A 86 -0.407 -4.421 9.447 1.00 15.24 H new ATOM 0 HG1 THR A 86 0.271 -6.263 10.736 1.00 0.02 H new ATOM 0 HG21 THR A 86 -0.389 -4.339 11.916 1.00 4.03 H new ATOM 0 HG22 THR A 86 -1.686 -3.342 11.215 1.00 4.03 H new ATOM 0 HG23 THR A 86 -2.069 -4.925 11.933 1.00 4.03 H new ATOM 554 N PHE A 87 -4.455 -5.420 10.514 1.00 63.21 N ATOM 555 CA PHE A 87 -5.539 -6.176 11.107 1.00 35.20 C ATOM 556 C PHE A 87 -6.408 -6.791 10.044 1.00 3.45 C ATOM 557 O PHE A 87 -6.631 -7.999 10.051 1.00 4.45 O ATOM 558 CB PHE A 87 -6.381 -5.312 12.065 1.00 34.32 C ATOM 559 CG PHE A 87 -7.717 -5.905 12.437 1.00 73.03 C ATOM 560 CD1 PHE A 87 -7.798 -7.135 13.062 1.00 74.31 C ATOM 561 CD2 PHE A 87 -8.888 -5.232 12.131 1.00 64.22 C ATOM 562 CE1 PHE A 87 -9.023 -7.681 13.383 1.00 30.41 C ATOM 563 CE2 PHE A 87 -10.117 -5.772 12.451 1.00 64.11 C ATOM 564 CZ PHE A 87 -10.186 -6.999 13.079 1.00 15.01 C ATOM 0 H PHE A 87 -4.498 -4.416 10.689 1.00 63.21 H new ATOM 0 HA PHE A 87 -5.092 -6.978 11.695 1.00 35.20 H new ATOM 0 HB2 PHE A 87 -5.808 -5.140 12.976 1.00 34.32 H new ATOM 0 HB3 PHE A 87 -6.546 -4.338 11.604 1.00 34.32 H new ATOM 0 HD1 PHE A 87 -6.893 -7.674 13.301 1.00 74.31 H new ATOM 0 HD2 PHE A 87 -8.839 -4.273 11.636 1.00 64.22 H new ATOM 0 HE1 PHE A 87 -9.074 -8.642 13.872 1.00 30.41 H new ATOM 0 HE2 PHE A 87 -11.023 -5.236 12.210 1.00 64.11 H new ATOM 0 HZ PHE A 87 -11.146 -7.425 13.332 1.00 15.01 H new ATOM 574 N HIS A 88 -6.877 -5.974 9.109 1.00 2.21 N ATOM 575 CA HIS A 88 -7.751 -6.479 8.077 1.00 61.42 C ATOM 576 C HIS A 88 -6.977 -7.430 7.167 1.00 52.31 C ATOM 577 O HIS A 88 -7.536 -8.337 6.592 1.00 2.32 O ATOM 578 CB HIS A 88 -8.501 -5.350 7.304 1.00 65.22 C ATOM 579 CG HIS A 88 -7.781 -4.724 6.142 1.00 51.20 C ATOM 580 ND1 HIS A 88 -7.088 -3.541 6.204 1.00 43.34 N ATOM 581 CD2 HIS A 88 -7.701 -5.146 4.857 1.00 21.25 C ATOM 582 CE1 HIS A 88 -6.613 -3.269 4.991 1.00 34.33 C ATOM 583 NE2 HIS A 88 -6.960 -4.238 4.110 1.00 25.31 N ATOM 0 H HIS A 88 -6.667 -4.978 9.050 1.00 2.21 H new ATOM 0 HA HIS A 88 -8.549 -7.048 8.553 1.00 61.42 H new ATOM 0 HB2 HIS A 88 -9.443 -5.758 6.939 1.00 65.22 H new ATOM 0 HB3 HIS A 88 -8.749 -4.561 8.014 1.00 65.22 H new ATOM 0 HD1 HIS A 88 -6.959 -2.968 7.038 1.00 43.34 H new ATOM 0 HD2 HIS A 88 -8.146 -6.051 4.471 1.00 21.25 H new ATOM 0 HE1 HIS A 88 -6.030 -2.394 4.743 1.00 34.33 H new ATOM 591 N VAL A 89 -5.679 -7.198 7.049 1.00 21.15 N ATOM 592 CA VAL A 89 -4.822 -8.086 6.301 1.00 60.02 C ATOM 593 C VAL A 89 -4.777 -9.436 6.993 1.00 24.43 C ATOM 594 O VAL A 89 -5.216 -10.400 6.444 1.00 42.42 O ATOM 595 CB VAL A 89 -3.383 -7.518 6.121 1.00 70.33 C ATOM 596 CG1 VAL A 89 -2.439 -8.572 5.557 1.00 72.44 C ATOM 597 CG2 VAL A 89 -3.394 -6.314 5.194 1.00 71.45 C ATOM 0 H VAL A 89 -5.201 -6.399 7.465 1.00 21.15 H new ATOM 0 HA VAL A 89 -5.241 -8.191 5.300 1.00 60.02 H new ATOM 0 HB VAL A 89 -3.028 -7.217 7.107 1.00 70.33 H new ATOM 0 HG11 VAL A 89 -1.443 -8.145 5.443 1.00 72.44 H new ATOM 0 HG12 VAL A 89 -2.394 -9.422 6.238 1.00 72.44 H new ATOM 0 HG13 VAL A 89 -2.804 -8.905 4.585 1.00 72.44 H new ATOM 0 HG21 VAL A 89 -2.379 -5.932 5.081 1.00 71.45 H new ATOM 0 HG22 VAL A 89 -3.781 -6.609 4.219 1.00 71.45 H new ATOM 0 HG23 VAL A 89 -4.030 -5.536 5.616 1.00 71.45 H new ATOM 607 N ASP A 90 -4.373 -9.449 8.250 1.00 72.34 N ATOM 608 CA ASP A 90 -4.219 -10.694 9.036 1.00 64.12 C ATOM 609 C ASP A 90 -5.550 -11.437 9.174 1.00 55.52 C ATOM 610 O ASP A 90 -5.601 -12.659 9.332 1.00 63.43 O ATOM 611 CB ASP A 90 -3.640 -10.360 10.422 1.00 41.44 C ATOM 612 CG ASP A 90 -3.488 -11.556 11.335 1.00 71.33 C ATOM 613 OD1 ASP A 90 -2.508 -12.302 11.194 1.00 30.31 O ATOM 614 OD2 ASP A 90 -4.338 -11.752 12.229 1.00 13.44 O ATOM 0 H ASP A 90 -4.138 -8.604 8.770 1.00 72.34 H new ATOM 0 HA ASP A 90 -3.531 -11.353 8.506 1.00 64.12 H new ATOM 0 HB2 ASP A 90 -2.665 -9.890 10.292 1.00 41.44 H new ATOM 0 HB3 ASP A 90 -4.286 -9.627 10.906 1.00 41.44 H new ATOM 619 N SER A 91 -6.603 -10.696 9.075 1.00 73.13 N ATOM 620 CA SER A 91 -7.926 -11.227 9.184 1.00 14.12 C ATOM 621 C SER A 91 -8.416 -11.774 7.841 1.00 41.03 C ATOM 622 O SER A 91 -8.855 -12.927 7.754 1.00 22.11 O ATOM 623 CB SER A 91 -8.887 -10.137 9.697 1.00 43.14 C ATOM 624 OG SER A 91 -10.211 -10.626 9.885 1.00 22.43 O ATOM 0 H SER A 91 -6.571 -9.689 8.914 1.00 73.13 H new ATOM 0 HA SER A 91 -7.905 -12.053 9.895 1.00 14.12 H new ATOM 0 HB2 SER A 91 -8.512 -9.740 10.640 1.00 43.14 H new ATOM 0 HB3 SER A 91 -8.905 -9.309 8.988 1.00 43.14 H new ATOM 0 HG SER A 91 -10.744 -10.443 9.083 1.00 22.43 H new ATOM 630 N GLU A 92 -8.295 -10.986 6.792 1.00 14.41 N ATOM 631 CA GLU A 92 -8.938 -11.337 5.528 1.00 54.25 C ATOM 632 C GLU A 92 -7.977 -11.973 4.545 1.00 1.01 C ATOM 633 O GLU A 92 -8.323 -12.932 3.854 1.00 20.12 O ATOM 634 CB GLU A 92 -9.581 -10.103 4.891 1.00 75.31 C ATOM 635 CG GLU A 92 -10.501 -9.329 5.824 1.00 21.40 C ATOM 636 CD GLU A 92 -11.599 -10.175 6.402 1.00 32.23 C ATOM 637 OE1 GLU A 92 -12.624 -10.387 5.711 1.00 14.31 O ATOM 638 OE2 GLU A 92 -11.485 -10.608 7.571 1.00 30.11 O ATOM 0 H GLU A 92 -7.769 -10.112 6.781 1.00 14.41 H new ATOM 0 HA GLU A 92 -9.707 -12.073 5.763 1.00 54.25 H new ATOM 0 HB2 GLU A 92 -8.793 -9.437 4.540 1.00 75.31 H new ATOM 0 HB3 GLU A 92 -10.149 -10.414 4.014 1.00 75.31 H new ATOM 0 HG2 GLU A 92 -9.911 -8.904 6.636 1.00 21.40 H new ATOM 0 HG3 GLU A 92 -10.942 -8.494 5.280 1.00 21.40 H new ATOM 645 N HIS A 93 -6.782 -11.455 4.487 1.00 54.13 N ATOM 646 CA HIS A 93 -5.777 -11.905 3.573 1.00 52.22 C ATOM 647 C HIS A 93 -4.430 -12.096 4.275 1.00 15.35 C ATOM 648 O HIS A 93 -3.487 -11.365 4.006 1.00 4.45 O ATOM 649 CB HIS A 93 -5.658 -10.954 2.339 1.00 70.45 C ATOM 650 CG HIS A 93 -6.141 -9.499 2.526 1.00 32.51 C ATOM 651 ND1 HIS A 93 -7.443 -9.107 2.306 1.00 54.51 N ATOM 652 CD2 HIS A 93 -5.467 -8.353 2.879 1.00 3.32 C ATOM 653 CE1 HIS A 93 -7.545 -7.803 2.511 1.00 61.13 C ATOM 654 NE2 HIS A 93 -6.364 -7.251 2.865 1.00 34.31 N ATOM 0 H HIS A 93 -6.476 -10.691 5.089 1.00 54.13 H new ATOM 0 HA HIS A 93 -6.087 -12.880 3.197 1.00 52.22 H new ATOM 0 HB2 HIS A 93 -4.613 -10.927 2.032 1.00 70.45 H new ATOM 0 HB3 HIS A 93 -6.221 -11.395 1.516 1.00 70.45 H new ATOM 0 HD1 HIS A 93 -8.207 -9.723 2.029 1.00 54.51 H new ATOM 0 HD2 HIS A 93 -4.418 -8.299 3.128 1.00 3.32 H new ATOM 0 HE1 HIS A 93 -8.464 -7.246 2.407 1.00 61.13 H new ATOM 662 N PRO A 94 -4.343 -13.066 5.244 1.00 54.13 N ATOM 663 CA PRO A 94 -3.094 -13.330 5.980 1.00 3.42 C ATOM 664 C PRO A 94 -2.090 -14.049 5.062 1.00 4.24 C ATOM 665 O PRO A 94 -0.876 -14.100 5.310 1.00 13.34 O ATOM 666 CB PRO A 94 -3.545 -14.272 7.108 1.00 21.11 C ATOM 667 CG PRO A 94 -4.752 -14.961 6.569 1.00 73.35 C ATOM 668 CD PRO A 94 -5.444 -13.955 5.696 1.00 44.02 C ATOM 0 HA PRO A 94 -2.604 -12.427 6.343 1.00 3.42 H new ATOM 0 HB2 PRO A 94 -2.762 -14.987 7.363 1.00 21.11 H new ATOM 0 HB3 PRO A 94 -3.779 -13.717 8.017 1.00 21.11 H new ATOM 0 HG2 PRO A 94 -4.474 -15.847 5.999 1.00 73.35 H new ATOM 0 HG3 PRO A 94 -5.405 -15.293 7.376 1.00 73.35 H new ATOM 0 HD2 PRO A 94 -5.945 -14.433 4.854 1.00 44.02 H new ATOM 0 HD3 PRO A 94 -6.205 -13.402 6.247 1.00 44.02 H new ATOM 676 N ASN A 95 -2.647 -14.588 4.012 1.00 24.43 N ATOM 677 CA ASN A 95 -1.984 -15.303 2.967 1.00 51.03 C ATOM 678 C ASN A 95 -2.780 -14.916 1.750 1.00 2.43 C ATOM 679 O ASN A 95 -3.990 -14.666 1.885 1.00 22.34 O ATOM 680 CB ASN A 95 -2.096 -16.815 3.233 1.00 52.54 C ATOM 681 CG ASN A 95 -1.251 -17.690 2.307 1.00 65.04 C ATOM 682 OD1 ASN A 95 -0.982 -17.361 1.154 1.00 24.31 O ATOM 683 ND2 ASN A 95 -0.837 -18.819 2.813 1.00 43.03 N ATOM 0 H ASN A 95 -3.654 -14.532 3.858 1.00 24.43 H new ATOM 0 HA ASN A 95 -0.922 -15.079 2.872 1.00 51.03 H new ATOM 0 HB2 ASN A 95 -1.803 -17.012 4.264 1.00 52.54 H new ATOM 0 HB3 ASN A 95 -3.141 -17.111 3.137 1.00 52.54 H new ATOM 0 HD21 ASN A 95 -0.274 -19.455 2.248 1.00 43.03 H new ATOM 0 HD22 ASN A 95 -1.076 -19.065 3.773 1.00 43.03 H new ATOM 690 N VAL A 96 -2.169 -14.811 0.616 1.00 45.42 N ATOM 691 CA VAL A 96 -2.841 -14.326 -0.550 1.00 63.54 C ATOM 692 C VAL A 96 -2.004 -14.699 -1.787 1.00 73.02 C ATOM 693 O VAL A 96 -0.891 -15.226 -1.628 1.00 43.45 O ATOM 694 CB VAL A 96 -3.059 -12.780 -0.404 1.00 32.22 C ATOM 695 CG1 VAL A 96 -1.759 -12.001 -0.412 1.00 34.05 C ATOM 696 CG2 VAL A 96 -4.061 -12.227 -1.392 1.00 44.14 C ATOM 0 H VAL A 96 -1.190 -15.058 0.469 1.00 45.42 H new ATOM 0 HA VAL A 96 -3.824 -14.781 -0.668 1.00 63.54 H new ATOM 0 HB VAL A 96 -3.498 -12.641 0.584 1.00 32.22 H new ATOM 0 HG11 VAL A 96 -1.972 -10.937 -0.308 1.00 34.05 H new ATOM 0 HG12 VAL A 96 -1.133 -12.329 0.418 1.00 34.05 H new ATOM 0 HG13 VAL A 96 -1.236 -12.176 -1.352 1.00 34.05 H new ATOM 0 HG21 VAL A 96 -4.167 -11.153 -1.240 1.00 44.14 H new ATOM 0 HG22 VAL A 96 -3.713 -12.417 -2.408 1.00 44.14 H new ATOM 0 HG23 VAL A 96 -5.026 -12.712 -1.242 1.00 44.14 H new ATOM 706 N VAL A 97 -2.554 -14.480 -2.981 1.00 11.13 N ATOM 707 CA VAL A 97 -1.911 -14.803 -4.261 1.00 33.23 C ATOM 708 C VAL A 97 -0.490 -14.239 -4.359 1.00 55.43 C ATOM 709 O VAL A 97 -0.250 -13.062 -4.084 1.00 45.14 O ATOM 710 CB VAL A 97 -2.763 -14.281 -5.456 1.00 62.42 C ATOM 711 CG1 VAL A 97 -2.105 -14.594 -6.791 1.00 2.32 C ATOM 712 CG2 VAL A 97 -4.149 -14.884 -5.414 1.00 14.33 C ATOM 0 H VAL A 97 -3.479 -14.064 -3.091 1.00 11.13 H new ATOM 0 HA VAL A 97 -1.844 -15.890 -4.309 1.00 33.23 H new ATOM 0 HB VAL A 97 -2.836 -13.198 -5.361 1.00 62.42 H new ATOM 0 HG11 VAL A 97 -2.728 -14.215 -7.601 1.00 2.32 H new ATOM 0 HG12 VAL A 97 -1.125 -14.119 -6.834 1.00 2.32 H new ATOM 0 HG13 VAL A 97 -1.990 -15.673 -6.896 1.00 2.32 H new ATOM 0 HG21 VAL A 97 -4.734 -14.511 -6.255 1.00 14.33 H new ATOM 0 HG22 VAL A 97 -4.075 -15.970 -5.477 1.00 14.33 H new ATOM 0 HG23 VAL A 97 -4.638 -14.607 -4.480 1.00 14.33 H new ATOM 722 N LEU A 98 0.435 -15.093 -4.755 1.00 72.12 N ATOM 723 CA LEU A 98 1.819 -14.716 -4.890 1.00 54.23 C ATOM 724 C LEU A 98 2.008 -13.955 -6.208 1.00 53.42 C ATOM 725 O LEU A 98 2.237 -14.556 -7.270 1.00 31.23 O ATOM 726 CB LEU A 98 2.717 -15.964 -4.849 1.00 2.43 C ATOM 727 CG LEU A 98 2.524 -16.913 -3.647 1.00 4.13 C ATOM 728 CD1 LEU A 98 3.442 -18.111 -3.757 1.00 2.45 C ATOM 729 CD2 LEU A 98 2.741 -16.201 -2.322 1.00 2.42 C ATOM 0 H LEU A 98 0.242 -16.066 -4.991 1.00 72.12 H new ATOM 0 HA LEU A 98 2.104 -14.069 -4.061 1.00 54.23 H new ATOM 0 HB2 LEU A 98 2.551 -16.534 -5.763 1.00 2.43 H new ATOM 0 HB3 LEU A 98 3.757 -15.637 -4.862 1.00 2.43 H new ATOM 0 HG LEU A 98 1.490 -17.258 -3.671 1.00 4.13 H new ATOM 0 HD11 LEU A 98 3.289 -18.766 -2.900 1.00 2.45 H new ATOM 0 HD12 LEU A 98 3.220 -18.656 -4.674 1.00 2.45 H new ATOM 0 HD13 LEU A 98 4.479 -17.775 -3.776 1.00 2.45 H new ATOM 0 HD21 LEU A 98 2.595 -16.905 -1.503 1.00 2.42 H new ATOM 0 HD22 LEU A 98 3.756 -15.804 -2.284 1.00 2.42 H new ATOM 0 HD23 LEU A 98 2.028 -15.382 -2.228 1.00 2.42 H new ATOM 741 N ASN A 99 1.847 -12.661 -6.151 1.00 71.54 N ATOM 742 CA ASN A 99 1.909 -11.811 -7.334 1.00 4.34 C ATOM 743 C ASN A 99 3.058 -10.789 -7.170 1.00 45.42 C ATOM 744 O ASN A 99 3.678 -10.752 -6.123 1.00 24.33 O ATOM 745 CB ASN A 99 0.526 -11.134 -7.515 1.00 53.31 C ATOM 746 CG ASN A 99 0.356 -10.389 -8.826 1.00 20.34 C ATOM 747 OD1 ASN A 99 0.616 -9.197 -8.912 1.00 50.30 O ATOM 748 ND2 ASN A 99 -0.094 -11.081 -9.843 1.00 34.24 N ATOM 0 H ASN A 99 1.668 -12.154 -5.285 1.00 71.54 H new ATOM 0 HA ASN A 99 2.124 -12.389 -8.233 1.00 4.34 H new ATOM 0 HB2 ASN A 99 -0.250 -11.896 -7.442 1.00 53.31 H new ATOM 0 HB3 ASN A 99 0.367 -10.437 -6.692 1.00 53.31 H new ATOM 0 HD21 ASN A 99 -0.239 -10.627 -10.745 1.00 34.24 H new ATOM 0 HD22 ASN A 99 -0.300 -12.074 -9.733 1.00 34.24 H new ATOM 755 N SER A 100 3.356 -9.998 -8.193 1.00 43.13 N ATOM 756 CA SER A 100 4.455 -9.042 -8.140 1.00 12.41 C ATOM 757 C SER A 100 3.908 -7.612 -7.975 1.00 53.23 C ATOM 758 O SER A 100 3.036 -7.177 -8.736 1.00 64.24 O ATOM 759 CB SER A 100 5.262 -9.179 -9.411 1.00 52.55 C ATOM 760 OG SER A 100 5.595 -10.559 -9.618 1.00 12.40 O ATOM 0 H SER A 100 2.847 -10.000 -9.077 1.00 43.13 H new ATOM 0 HA SER A 100 5.096 -9.245 -7.282 1.00 12.41 H new ATOM 0 HB2 SER A 100 4.692 -8.800 -10.259 1.00 52.55 H new ATOM 0 HB3 SER A 100 6.170 -8.580 -9.344 1.00 52.55 H new ATOM 0 HG SER A 100 6.117 -10.649 -10.443 1.00 12.40 H new ATOM 766 N SER A 101 4.394 -6.890 -6.981 1.00 10.34 N ATOM 767 CA SER A 101 3.889 -5.603 -6.604 1.00 15.02 C ATOM 768 C SER A 101 4.952 -4.832 -5.821 1.00 55.43 C ATOM 769 O SER A 101 6.036 -5.377 -5.557 1.00 62.20 O ATOM 770 CB SER A 101 2.656 -5.822 -5.751 1.00 21.34 C ATOM 771 OG SER A 101 1.650 -6.479 -6.503 1.00 40.15 O ATOM 0 H SER A 101 5.174 -7.202 -6.403 1.00 10.34 H new ATOM 0 HA SER A 101 3.635 -5.017 -7.487 1.00 15.02 H new ATOM 0 HB2 SER A 101 2.912 -6.418 -4.875 1.00 21.34 H new ATOM 0 HB3 SER A 101 2.282 -4.865 -5.388 1.00 21.34 H new ATOM 0 HG SER A 101 1.741 -7.449 -6.395 1.00 40.15 H new ATOM 777 N TYR A 102 4.652 -3.589 -5.483 1.00 23.13 N ATOM 778 CA TYR A 102 5.549 -2.724 -4.740 1.00 54.01 C ATOM 779 C TYR A 102 5.012 -2.428 -3.356 1.00 42.21 C ATOM 780 O TYR A 102 3.795 -2.256 -3.165 1.00 23.33 O ATOM 781 CB TYR A 102 5.776 -1.419 -5.483 1.00 74.33 C ATOM 782 CG TYR A 102 6.955 -1.391 -6.427 1.00 63.13 C ATOM 783 CD1 TYR A 102 7.309 -2.494 -7.190 1.00 2.32 C ATOM 784 CD2 TYR A 102 7.710 -0.234 -6.559 1.00 65.23 C ATOM 785 CE1 TYR A 102 8.385 -2.448 -8.051 1.00 11.31 C ATOM 786 CE2 TYR A 102 8.789 -0.182 -7.420 1.00 61.33 C ATOM 787 CZ TYR A 102 9.121 -1.293 -8.160 1.00 12.51 C ATOM 788 OH TYR A 102 10.191 -1.248 -9.022 1.00 74.32 O ATOM 0 H TYR A 102 3.764 -3.147 -5.722 1.00 23.13 H new ATOM 0 HA TYR A 102 6.497 -3.252 -4.640 1.00 54.01 H new ATOM 0 HB2 TYR A 102 4.875 -1.186 -6.051 1.00 74.33 H new ATOM 0 HB3 TYR A 102 5.905 -0.624 -4.749 1.00 74.33 H new ATOM 0 HD1 TYR A 102 6.732 -3.404 -7.108 1.00 2.32 H new ATOM 0 HD2 TYR A 102 7.450 0.639 -5.979 1.00 65.23 H new ATOM 0 HE1 TYR A 102 8.648 -3.316 -8.637 1.00 11.31 H new ATOM 0 HE2 TYR A 102 9.368 0.725 -7.512 1.00 61.33 H new ATOM 0 HH TYR A 102 10.605 -0.361 -8.983 1.00 74.32 H new ATOM 798 N VAL A 103 5.906 -2.387 -2.399 1.00 54.34 N ATOM 799 CA VAL A 103 5.562 -2.114 -1.027 1.00 64.33 C ATOM 800 C VAL A 103 6.504 -1.047 -0.448 1.00 35.12 C ATOM 801 O VAL A 103 7.680 -1.012 -0.760 1.00 43.22 O ATOM 802 CB VAL A 103 5.667 -3.437 -0.191 1.00 40.11 C ATOM 803 CG1 VAL A 103 7.033 -3.961 -0.214 1.00 20.05 C ATOM 804 CG2 VAL A 103 5.243 -3.293 1.235 1.00 24.22 C ATOM 0 H VAL A 103 6.902 -2.544 -2.553 1.00 54.34 H new ATOM 0 HA VAL A 103 4.540 -1.737 -0.980 1.00 64.33 H new ATOM 0 HB VAL A 103 4.975 -4.128 -0.672 1.00 40.11 H new ATOM 0 HG11 VAL A 103 7.081 -4.879 0.373 1.00 20.05 H new ATOM 0 HG12 VAL A 103 7.324 -4.172 -1.243 1.00 20.05 H new ATOM 0 HG13 VAL A 103 7.713 -3.223 0.211 1.00 20.05 H new ATOM 0 HG21 VAL A 103 5.345 -4.252 1.744 1.00 24.22 H new ATOM 0 HG22 VAL A 103 5.871 -2.551 1.728 1.00 24.22 H new ATOM 0 HG23 VAL A 103 4.202 -2.971 1.274 1.00 24.22 H new ATOM 814 N CYS A 104 5.977 -0.164 0.352 1.00 70.34 N ATOM 815 CA CYS A 104 6.806 0.777 1.069 1.00 5.01 C ATOM 816 C CYS A 104 7.295 0.050 2.258 1.00 60.53 C ATOM 817 O CYS A 104 6.528 -0.214 3.126 1.00 51.43 O ATOM 818 CB CYS A 104 5.970 2.010 1.493 1.00 61.41 C ATOM 819 SG CYS A 104 6.754 3.263 2.673 1.00 41.14 S ATOM 0 H CYS A 104 4.976 -0.072 0.528 1.00 70.34 H new ATOM 0 HA CYS A 104 7.630 1.143 0.456 1.00 5.01 H new ATOM 0 HB2 CYS A 104 5.680 2.543 0.587 1.00 61.41 H new ATOM 0 HB3 CYS A 104 5.053 1.646 1.956 1.00 61.41 H new ATOM 0 HG CYS A 104 5.823 3.996 3.208 1.00 41.14 H new ATOM 824 N VAL A 105 8.546 -0.340 2.262 1.00 34.22 N ATOM 825 CA VAL A 105 9.149 -1.087 3.377 1.00 22.21 C ATOM 826 C VAL A 105 9.074 -0.299 4.662 1.00 11.13 C ATOM 827 O VAL A 105 9.086 -0.856 5.745 1.00 72.53 O ATOM 828 CB VAL A 105 10.628 -1.369 3.134 1.00 54.21 C ATOM 829 CG1 VAL A 105 10.962 -2.758 3.444 1.00 1.50 C ATOM 830 CG2 VAL A 105 11.036 -1.039 1.755 1.00 41.54 C ATOM 0 H VAL A 105 9.192 -0.155 1.495 1.00 34.22 H new ATOM 0 HA VAL A 105 8.587 -2.018 3.449 1.00 22.21 H new ATOM 0 HB VAL A 105 11.185 -0.720 3.809 1.00 54.21 H new ATOM 0 HG11 VAL A 105 12.023 -2.927 3.260 1.00 1.50 H new ATOM 0 HG12 VAL A 105 10.738 -2.961 4.491 1.00 1.50 H new ATOM 0 HG13 VAL A 105 10.374 -3.423 2.812 1.00 1.50 H new ATOM 0 HG21 VAL A 105 12.097 -1.256 1.628 1.00 41.54 H new ATOM 0 HG22 VAL A 105 10.456 -1.636 1.051 1.00 41.54 H new ATOM 0 HG23 VAL A 105 10.857 0.019 1.566 1.00 41.54 H new ATOM 840 N GLU A 106 9.010 0.998 4.521 1.00 0.13 N ATOM 841 CA GLU A 106 8.965 1.890 5.651 1.00 41.34 C ATOM 842 C GLU A 106 7.645 1.723 6.379 1.00 31.31 C ATOM 843 O GLU A 106 7.570 1.795 7.594 1.00 51.15 O ATOM 844 CB GLU A 106 9.097 3.329 5.170 1.00 70.14 C ATOM 845 CG GLU A 106 10.208 3.547 4.151 1.00 12.21 C ATOM 846 CD GLU A 106 11.601 3.250 4.665 1.00 20.44 C ATOM 847 OE1 GLU A 106 11.772 2.335 5.527 1.00 31.30 O ATOM 848 OE2 GLU A 106 12.545 3.877 4.163 1.00 62.02 O ATOM 0 H GLU A 106 8.987 1.468 3.616 1.00 0.13 H new ATOM 0 HA GLU A 106 9.786 1.655 6.328 1.00 41.34 H new ATOM 0 HB2 GLU A 106 8.150 3.642 4.731 1.00 70.14 H new ATOM 0 HB3 GLU A 106 9.277 3.973 6.031 1.00 70.14 H new ATOM 0 HG2 GLU A 106 10.014 2.919 3.281 1.00 12.21 H new ATOM 0 HG3 GLU A 106 10.173 4.582 3.811 1.00 12.21 H new ATOM 855 N CYS A 107 6.611 1.495 5.609 1.00 32.54 N ATOM 856 CA CYS A 107 5.262 1.333 6.184 1.00 1.11 C ATOM 857 C CYS A 107 4.834 -0.130 6.172 1.00 0.04 C ATOM 858 O CYS A 107 3.903 -0.523 6.859 1.00 10.13 O ATOM 859 CB CYS A 107 4.284 2.123 5.340 1.00 71.44 C ATOM 860 SG CYS A 107 4.851 3.812 4.952 1.00 1.34 S ATOM 0 H CYS A 107 6.656 1.415 4.593 1.00 32.54 H new ATOM 0 HA CYS A 107 5.275 1.687 7.215 1.00 1.11 H new ATOM 0 HB2 CYS A 107 4.105 1.586 4.408 1.00 71.44 H new ATOM 0 HB3 CYS A 107 3.330 2.181 5.863 1.00 71.44 H new ATOM 0 HG CYS A 107 6.072 3.769 4.508 1.00 1.34 H new ATOM 865 N ASN A 108 5.555 -0.910 5.395 1.00 45.51 N ATOM 866 CA ASN A 108 5.230 -2.278 5.073 1.00 21.32 C ATOM 867 C ASN A 108 3.812 -2.378 4.499 1.00 62.51 C ATOM 868 O ASN A 108 2.978 -3.139 4.986 1.00 40.43 O ATOM 869 CB ASN A 108 5.444 -3.193 6.262 1.00 64.34 C ATOM 870 CG ASN A 108 6.895 -3.481 6.581 1.00 72.23 C ATOM 871 OD1 ASN A 108 7.736 -3.589 5.581 1.00 61.13 O flip ATOM 872 ND2 ASN A 108 7.252 -3.660 7.734 1.00 1.55 N flip ATOM 0 H ASN A 108 6.418 -0.593 4.954 1.00 45.51 H new ATOM 0 HA ASN A 108 5.914 -2.620 4.297 1.00 21.32 H new ATOM 0 HB2 ASN A 108 4.975 -2.745 7.138 1.00 64.34 H new ATOM 0 HB3 ASN A 108 4.932 -4.137 6.074 1.00 64.34 H new ATOM 0 HD21 ASN A 108 6.580 -3.570 8.496 1.00 1.55 H new ATOM 0 HD22 ASN A 108 8.223 -3.899 7.936 1.00 1.55 H new ATOM 879 N PHE A 109 3.568 -1.642 3.411 1.00 1.05 N ATOM 880 CA PHE A 109 2.241 -1.594 2.816 1.00 72.13 C ATOM 881 C PHE A 109 2.341 -1.852 1.316 1.00 73.43 C ATOM 882 O PHE A 109 3.120 -1.186 0.611 1.00 31.42 O ATOM 883 CB PHE A 109 1.515 -0.247 3.133 1.00 73.30 C ATOM 884 CG PHE A 109 1.412 0.770 1.997 1.00 61.42 C ATOM 885 CD1 PHE A 109 0.342 0.727 1.125 1.00 44.24 C ATOM 886 CD2 PHE A 109 2.361 1.763 1.824 1.00 22.52 C ATOM 887 CE1 PHE A 109 0.223 1.649 0.104 1.00 14.41 C ATOM 888 CE2 PHE A 109 2.242 2.690 0.789 1.00 70.12 C ATOM 889 CZ PHE A 109 1.172 2.627 -0.063 1.00 0.14 C ATOM 0 H PHE A 109 4.269 -1.078 2.932 1.00 1.05 H new ATOM 0 HA PHE A 109 1.630 -2.380 3.259 1.00 72.13 H new ATOM 0 HB2 PHE A 109 0.506 -0.478 3.473 1.00 73.30 H new ATOM 0 HB3 PHE A 109 2.031 0.228 3.967 1.00 73.30 H new ATOM 0 HD1 PHE A 109 -0.411 -0.038 1.243 1.00 44.24 H new ATOM 0 HD2 PHE A 109 3.203 1.820 2.498 1.00 22.52 H new ATOM 0 HE1 PHE A 109 -0.622 1.601 -0.567 1.00 14.41 H new ATOM 0 HE2 PHE A 109 2.992 3.456 0.660 1.00 70.12 H new ATOM 0 HZ PHE A 109 1.075 3.345 -0.864 1.00 0.14 H new ATOM 899 N LEU A 110 1.609 -2.831 0.856 1.00 45.31 N ATOM 900 CA LEU A 110 1.603 -3.234 -0.542 1.00 23.40 C ATOM 901 C LEU A 110 0.468 -2.597 -1.245 1.00 32.53 C ATOM 902 O LEU A 110 -0.642 -2.746 -0.802 1.00 40.43 O ATOM 903 CB LEU A 110 1.445 -4.738 -0.658 1.00 42.33 C ATOM 904 CG LEU A 110 2.708 -5.530 -0.779 1.00 24.01 C ATOM 905 CD1 LEU A 110 2.379 -6.976 -0.594 1.00 40.04 C ATOM 906 CD2 LEU A 110 3.294 -5.321 -2.168 1.00 73.25 C ATOM 0 H LEU A 110 0.987 -3.386 1.444 1.00 45.31 H new ATOM 0 HA LEU A 110 2.548 -2.924 -0.988 1.00 23.40 H new ATOM 0 HB2 LEU A 110 0.901 -5.093 0.217 1.00 42.33 H new ATOM 0 HB3 LEU A 110 0.823 -4.951 -1.528 1.00 42.33 H new ATOM 0 HG LEU A 110 3.430 -5.211 -0.027 1.00 24.01 H new ATOM 0 HD11 LEU A 110 3.289 -7.570 -0.679 1.00 40.04 H new ATOM 0 HD12 LEU A 110 1.939 -7.126 0.392 1.00 40.04 H new ATOM 0 HD13 LEU A 110 1.669 -7.288 -1.360 1.00 40.04 H new ATOM 0 HD21 LEU A 110 4.215 -5.895 -2.264 1.00 73.25 H new ATOM 0 HD22 LEU A 110 2.578 -5.655 -2.919 1.00 73.25 H new ATOM 0 HD23 LEU A 110 3.509 -4.263 -2.317 1.00 73.25 H new ATOM 918 N THR A 111 0.734 -1.975 -2.360 1.00 0.04 N ATOM 919 CA THR A 111 -0.278 -1.224 -3.089 1.00 61.14 C ATOM 920 C THR A 111 -0.484 -1.773 -4.492 1.00 50.31 C ATOM 921 O THR A 111 0.386 -2.469 -5.046 1.00 45.50 O ATOM 922 CB THR A 111 0.054 0.302 -3.098 1.00 10.20 C ATOM 923 OG1 THR A 111 -0.689 1.049 -4.097 1.00 73.43 O ATOM 924 CG2 THR A 111 1.538 0.535 -3.256 1.00 42.33 C ATOM 0 H THR A 111 1.655 -1.968 -2.798 1.00 0.04 H new ATOM 0 HA THR A 111 -1.225 -1.347 -2.564 1.00 61.14 H new ATOM 0 HB THR A 111 -0.264 0.682 -2.127 1.00 10.20 H new ATOM 0 HG1 THR A 111 -1.650 0.907 -3.964 1.00 73.43 H new ATOM 0 HG21 THR A 111 1.740 1.606 -3.259 1.00 42.33 H new ATOM 0 HG22 THR A 111 2.070 0.068 -2.427 1.00 42.33 H new ATOM 0 HG23 THR A 111 1.877 0.099 -4.196 1.00 42.33 H new ATOM 932 N LYS A 112 -1.644 -1.465 -5.054 1.00 31.01 N ATOM 933 CA LYS A 112 -2.074 -1.945 -6.359 1.00 33.35 C ATOM 934 C LYS A 112 -1.279 -1.282 -7.471 1.00 5.41 C ATOM 935 O LYS A 112 -1.214 -1.790 -8.599 1.00 23.10 O ATOM 936 CB LYS A 112 -3.556 -1.586 -6.557 1.00 64.33 C ATOM 937 CG LYS A 112 -4.484 -2.107 -5.470 1.00 30.55 C ATOM 938 CD LYS A 112 -5.897 -1.545 -5.594 1.00 72.34 C ATOM 939 CE LYS A 112 -6.572 -1.979 -6.878 1.00 42.24 C ATOM 940 NZ LYS A 112 -7.931 -1.416 -7.007 1.00 32.32 N ATOM 0 H LYS A 112 -2.329 -0.859 -4.603 1.00 31.01 H new ATOM 0 HA LYS A 112 -1.918 -3.023 -6.398 1.00 33.35 H new ATOM 0 HB2 LYS A 112 -3.650 -0.501 -6.608 1.00 64.33 H new ATOM 0 HB3 LYS A 112 -3.886 -1.980 -7.518 1.00 64.33 H new ATOM 0 HG2 LYS A 112 -4.523 -3.195 -5.520 1.00 30.55 H new ATOM 0 HG3 LYS A 112 -4.077 -1.847 -4.493 1.00 30.55 H new ATOM 0 HD2 LYS A 112 -6.493 -1.873 -4.743 1.00 72.34 H new ATOM 0 HD3 LYS A 112 -5.858 -0.456 -5.555 1.00 72.34 H new ATOM 0 HE2 LYS A 112 -5.968 -1.665 -7.729 1.00 42.24 H new ATOM 0 HE3 LYS A 112 -6.626 -3.067 -6.909 1.00 42.24 H new ATOM 0 HZ1 LYS A 112 -8.389 -1.805 -7.856 1.00 32.32 H new ATOM 0 HZ2 LYS A 112 -8.491 -1.665 -6.167 1.00 32.32 H new ATOM 0 HZ3 LYS A 112 -7.872 -0.381 -7.089 1.00 32.32 H new ATOM 954 N ARG A 113 -0.659 -0.179 -7.149 1.00 12.12 N ATOM 955 CA ARG A 113 -0.023 0.661 -8.134 1.00 51.22 C ATOM 956 C ARG A 113 1.367 1.079 -7.701 1.00 74.12 C ATOM 957 O ARG A 113 1.712 0.969 -6.541 1.00 44.01 O ATOM 958 CB ARG A 113 -0.894 1.891 -8.326 1.00 70.34 C ATOM 959 CG ARG A 113 -1.201 2.639 -7.022 1.00 64.32 C ATOM 960 CD ARG A 113 -2.153 3.788 -7.255 1.00 75.31 C ATOM 961 NE ARG A 113 -3.430 3.331 -7.817 1.00 30.42 N ATOM 962 CZ ARG A 113 -3.859 3.571 -9.074 1.00 73.32 C ATOM 963 NH1 ARG A 113 -3.048 4.137 -9.975 1.00 51.52 N ATOM 964 NH2 ARG A 113 -5.084 3.188 -9.428 1.00 0.55 N ATOM 0 H ARG A 113 -0.579 0.166 -6.192 1.00 12.12 H new ATOM 0 HA ARG A 113 0.084 0.105 -9.065 1.00 51.22 H new ATOM 0 HB2 ARG A 113 -0.398 2.572 -9.017 1.00 70.34 H new ATOM 0 HB3 ARG A 113 -1.833 1.591 -8.792 1.00 70.34 H new ATOM 0 HG2 ARG A 113 -1.633 1.948 -6.298 1.00 64.32 H new ATOM 0 HG3 ARG A 113 -0.274 3.015 -6.590 1.00 64.32 H new ATOM 0 HD2 ARG A 113 -2.335 4.306 -6.314 1.00 75.31 H new ATOM 0 HD3 ARG A 113 -1.695 4.509 -7.932 1.00 75.31 H new ATOM 0 HE ARG A 113 -4.043 2.788 -7.208 1.00 30.42 H new ATOM 0 HH11 ARG A 113 -2.095 4.392 -9.715 1.00 51.52 H new ATOM 0 HH12 ARG A 113 -3.382 4.314 -10.922 1.00 51.52 H new ATOM 0 HH21 ARG A 113 -5.687 2.719 -8.752 1.00 0.55 H new ATOM 0 HH22 ARG A 113 -5.420 3.364 -10.375 1.00 0.55 H new ATOM 978 N TYR A 114 2.150 1.587 -8.643 1.00 20.31 N ATOM 979 CA TYR A 114 3.490 2.080 -8.353 1.00 13.12 C ATOM 980 C TYR A 114 3.412 3.515 -7.852 1.00 15.22 C ATOM 981 O TYR A 114 4.314 4.002 -7.157 1.00 4.11 O ATOM 982 CB TYR A 114 4.392 2.050 -9.598 1.00 35.41 C ATOM 983 CG TYR A 114 4.625 0.687 -10.209 1.00 4.54 C ATOM 984 CD1 TYR A 114 5.319 -0.293 -9.519 1.00 14.13 C ATOM 985 CD2 TYR A 114 4.172 0.389 -11.488 1.00 10.25 C ATOM 986 CE1 TYR A 114 5.552 -1.532 -10.079 1.00 12.25 C ATOM 987 CE2 TYR A 114 4.407 -0.849 -12.057 1.00 70.23 C ATOM 988 CZ TYR A 114 5.099 -1.804 -11.346 1.00 3.24 C ATOM 989 OH TYR A 114 5.344 -3.039 -11.911 1.00 52.53 O ATOM 0 H TYR A 114 1.877 1.669 -9.622 1.00 20.31 H new ATOM 0 HA TYR A 114 3.919 1.426 -7.594 1.00 13.12 H new ATOM 0 HB2 TYR A 114 3.953 2.697 -10.357 1.00 35.41 H new ATOM 0 HB3 TYR A 114 5.359 2.479 -9.334 1.00 35.41 H new ATOM 0 HD1 TYR A 114 5.684 -0.083 -8.525 1.00 14.13 H new ATOM 0 HD2 TYR A 114 3.628 1.136 -12.047 1.00 10.25 H new ATOM 0 HE1 TYR A 114 6.089 -2.286 -9.522 1.00 12.25 H new ATOM 0 HE2 TYR A 114 4.050 -1.066 -13.053 1.00 70.23 H new ATOM 0 HH TYR A 114 4.956 -3.070 -12.810 1.00 52.53 H new ATOM 999 N ASP A 115 2.302 4.180 -8.190 1.00 72.52 N ATOM 1000 CA ASP A 115 2.088 5.606 -7.867 1.00 52.14 C ATOM 1001 C ASP A 115 2.235 5.835 -6.408 1.00 3.44 C ATOM 1002 O ASP A 115 2.972 6.700 -5.986 1.00 15.04 O ATOM 1003 CB ASP A 115 0.680 6.117 -8.247 1.00 71.32 C ATOM 1004 CG ASP A 115 0.203 5.796 -9.637 1.00 63.13 C ATOM 1005 OD1 ASP A 115 -0.351 4.704 -9.839 1.00 52.41 O ATOM 1006 OD2 ASP A 115 0.299 6.643 -10.529 1.00 44.04 O ATOM 0 H ASP A 115 1.525 3.752 -8.694 1.00 72.52 H new ATOM 0 HA ASP A 115 2.836 6.144 -8.449 1.00 52.14 H new ATOM 0 HB2 ASP A 115 -0.036 5.704 -7.537 1.00 71.32 H new ATOM 0 HB3 ASP A 115 0.665 7.200 -8.122 1.00 71.32 H new ATOM 1011 N ALA A 116 1.588 5.003 -5.650 1.00 14.22 N ATOM 1012 CA ALA A 116 1.506 5.146 -4.229 1.00 73.10 C ATOM 1013 C ALA A 116 2.868 5.119 -3.554 1.00 12.13 C ATOM 1014 O ALA A 116 3.015 5.643 -2.471 1.00 42.13 O ATOM 1015 CB ALA A 116 0.593 4.091 -3.680 1.00 12.43 C ATOM 0 H ALA A 116 1.092 4.188 -6.010 1.00 14.22 H new ATOM 0 HA ALA A 116 1.093 6.131 -4.009 1.00 73.10 H new ATOM 0 HB1 ALA A 116 0.527 4.195 -2.597 1.00 12.43 H new ATOM 0 HB2 ALA A 116 -0.399 4.205 -4.117 1.00 12.43 H new ATOM 0 HB3 ALA A 116 0.987 3.105 -3.926 1.00 12.43 H new ATOM 1021 N LEU A 117 3.840 4.482 -4.181 1.00 50.33 N ATOM 1022 CA LEU A 117 5.202 4.457 -3.654 1.00 64.11 C ATOM 1023 C LEU A 117 5.968 5.692 -4.085 1.00 5.54 C ATOM 1024 O LEU A 117 6.790 6.217 -3.348 1.00 43.23 O ATOM 1025 CB LEU A 117 5.983 3.245 -4.118 1.00 45.24 C ATOM 1026 CG LEU A 117 5.388 1.875 -3.862 1.00 13.33 C ATOM 1027 CD1 LEU A 117 4.832 1.750 -2.449 1.00 22.14 C ATOM 1028 CD2 LEU A 117 4.366 1.542 -4.913 1.00 32.32 C ATOM 0 H LEU A 117 3.717 3.973 -5.056 1.00 50.33 H new ATOM 0 HA LEU A 117 5.101 4.421 -2.569 1.00 64.11 H new ATOM 0 HB2 LEU A 117 6.146 3.343 -5.191 1.00 45.24 H new ATOM 0 HB3 LEU A 117 6.963 3.277 -3.643 1.00 45.24 H new ATOM 0 HG LEU A 117 6.188 1.138 -3.935 1.00 13.33 H new ATOM 0 HD11 LEU A 117 4.415 0.753 -2.309 1.00 22.14 H new ATOM 0 HD12 LEU A 117 5.632 1.914 -1.727 1.00 22.14 H new ATOM 0 HD13 LEU A 117 4.050 2.494 -2.299 1.00 22.14 H new ATOM 0 HD21 LEU A 117 3.948 0.555 -4.715 1.00 32.32 H new ATOM 0 HD22 LEU A 117 3.568 2.284 -4.893 1.00 32.32 H new ATOM 0 HD23 LEU A 117 4.839 1.545 -5.895 1.00 32.32 H new ATOM 1040 N SER A 118 5.693 6.137 -5.285 1.00 25.44 N ATOM 1041 CA SER A 118 6.381 7.263 -5.887 1.00 30.34 C ATOM 1042 C SER A 118 5.975 8.556 -5.221 1.00 63.10 C ATOM 1043 O SER A 118 6.800 9.398 -4.913 1.00 13.52 O ATOM 1044 CB SER A 118 5.990 7.302 -7.340 1.00 73.53 C ATOM 1045 OG SER A 118 6.563 6.237 -8.089 1.00 42.44 O ATOM 0 H SER A 118 4.977 5.726 -5.883 1.00 25.44 H new ATOM 0 HA SER A 118 7.459 7.149 -5.770 1.00 30.34 H new ATOM 0 HB2 SER A 118 4.904 7.256 -7.422 1.00 73.53 H new ATOM 0 HB3 SER A 118 6.302 8.253 -7.771 1.00 73.53 H new ATOM 0 HG SER A 118 6.034 5.423 -7.958 1.00 42.44 H new ATOM 1051 N GLU A 119 4.703 8.696 -5.031 1.00 11.34 N ATOM 1052 CA GLU A 119 4.136 9.843 -4.392 1.00 45.43 C ATOM 1053 C GLU A 119 4.266 9.710 -2.894 1.00 62.32 C ATOM 1054 O GLU A 119 4.067 10.655 -2.177 1.00 51.04 O ATOM 1055 CB GLU A 119 2.686 10.054 -4.775 1.00 2.14 C ATOM 1056 CG GLU A 119 2.357 9.584 -6.166 1.00 62.03 C ATOM 1057 CD GLU A 119 1.042 10.109 -6.670 1.00 21.02 C ATOM 1058 OE1 GLU A 119 0.994 11.223 -7.229 1.00 54.02 O ATOM 1059 OE2 GLU A 119 0.033 9.430 -6.516 1.00 21.11 O ATOM 0 H GLU A 119 4.013 8.003 -5.321 1.00 11.34 H new ATOM 0 HA GLU A 119 4.689 10.718 -4.733 1.00 45.43 H new ATOM 0 HB2 GLU A 119 2.050 9.528 -4.063 1.00 2.14 H new ATOM 0 HB3 GLU A 119 2.448 11.114 -4.693 1.00 2.14 H new ATOM 0 HG2 GLU A 119 3.150 9.896 -6.845 1.00 62.03 H new ATOM 0 HG3 GLU A 119 2.336 8.494 -6.179 1.00 62.03 H new ATOM 1066 N HIS A 120 4.486 8.499 -2.438 1.00 5.23 N ATOM 1067 CA HIS A 120 4.590 8.191 -1.010 1.00 55.34 C ATOM 1068 C HIS A 120 5.485 9.205 -0.267 1.00 42.45 C ATOM 1069 O HIS A 120 5.047 9.862 0.587 1.00 61.04 O ATOM 1070 CB HIS A 120 5.134 6.807 -0.816 1.00 55.25 C ATOM 1071 CG HIS A 120 4.847 6.243 0.504 1.00 64.45 C ATOM 1072 ND1 HIS A 120 3.638 5.696 0.854 1.00 40.52 N ATOM 1073 CD2 HIS A 120 5.623 6.154 1.563 1.00 12.03 C ATOM 1074 CE1 HIS A 120 3.711 5.300 2.114 1.00 45.12 C ATOM 1075 NE2 HIS A 120 4.925 5.552 2.614 1.00 51.54 N ATOM 0 H HIS A 120 4.600 7.686 -3.043 1.00 5.23 H new ATOM 0 HA HIS A 120 3.586 8.255 -0.591 1.00 55.34 H new ATOM 0 HB2 HIS A 120 4.717 6.151 -1.580 1.00 55.25 H new ATOM 0 HB3 HIS A 120 6.213 6.826 -0.967 1.00 55.25 H new ATOM 0 HD1 HIS A 120 2.823 5.610 0.247 1.00 40.52 H new ATOM 0 HD2 HIS A 120 6.646 6.495 1.613 1.00 12.03 H new ATOM 0 HE1 HIS A 120 2.903 4.838 2.662 1.00 45.12 H new ATOM 1083 N ASN A 121 6.705 9.331 -0.654 1.00 74.24 N ATOM 1084 CA ASN A 121 7.665 10.314 -0.071 1.00 44.10 C ATOM 1085 C ASN A 121 7.268 11.770 -0.353 1.00 54.42 C ATOM 1086 O ASN A 121 7.813 12.706 0.199 1.00 50.01 O ATOM 1087 CB ASN A 121 9.101 10.010 -0.484 1.00 1.52 C ATOM 1088 CG ASN A 121 9.305 9.894 -1.972 1.00 15.34 C ATOM 1089 OD1 ASN A 121 8.399 9.623 -2.722 1.00 74.31 O ATOM 1090 ND2 ASN A 121 10.498 9.992 -2.388 1.00 4.25 N ATOM 0 H ASN A 121 7.111 8.761 -1.397 1.00 74.24 H new ATOM 0 HA ASN A 121 7.614 10.198 1.012 1.00 44.10 H new ATOM 0 HB2 ASN A 121 9.752 10.796 -0.100 1.00 1.52 H new ATOM 0 HB3 ASN A 121 9.413 9.078 -0.012 1.00 1.52 H new ATOM 0 HD21 ASN A 121 10.708 9.841 -3.375 1.00 4.25 H new ATOM 0 HD22 ASN A 121 11.248 10.222 -1.736 1.00 4.25 H new ATOM 1097 N LEU A 122 6.407 11.940 -1.279 1.00 11.44 N ATOM 1098 CA LEU A 122 5.875 13.232 -1.614 1.00 24.45 C ATOM 1099 C LEU A 122 4.771 13.641 -0.600 1.00 74.41 C ATOM 1100 O LEU A 122 4.821 14.720 0.003 1.00 42.05 O ATOM 1101 CB LEU A 122 5.355 13.175 -3.074 1.00 74.51 C ATOM 1102 CG LEU A 122 4.295 14.184 -3.500 1.00 74.33 C ATOM 1103 CD1 LEU A 122 4.792 15.616 -3.362 1.00 53.24 C ATOM 1104 CD2 LEU A 122 3.866 13.912 -4.928 1.00 3.40 C ATOM 0 H LEU A 122 6.034 11.179 -1.847 1.00 11.44 H new ATOM 0 HA LEU A 122 6.646 14.000 -1.550 1.00 24.45 H new ATOM 0 HB2 LEU A 122 6.212 13.292 -3.738 1.00 74.51 H new ATOM 0 HB3 LEU A 122 4.953 12.177 -3.246 1.00 74.51 H new ATOM 0 HG LEU A 122 3.438 14.069 -2.837 1.00 74.33 H new ATOM 0 HD11 LEU A 122 4.008 16.305 -3.675 1.00 53.24 H new ATOM 0 HD12 LEU A 122 5.053 15.812 -2.322 1.00 53.24 H new ATOM 0 HD13 LEU A 122 5.672 15.758 -3.990 1.00 53.24 H new ATOM 0 HD21 LEU A 122 3.108 14.637 -5.225 1.00 3.40 H new ATOM 0 HD22 LEU A 122 4.728 13.997 -5.589 1.00 3.40 H new ATOM 0 HD23 LEU A 122 3.452 12.906 -4.998 1.00 3.40 H new ATOM 1116 N LYS A 123 3.809 12.763 -0.400 1.00 72.13 N ATOM 1117 CA LYS A 123 2.648 13.062 0.448 1.00 41.44 C ATOM 1118 C LYS A 123 2.665 12.359 1.798 1.00 24.21 C ATOM 1119 O LYS A 123 2.309 12.932 2.827 1.00 50.01 O ATOM 1120 CB LYS A 123 1.331 12.827 -0.315 1.00 51.34 C ATOM 1121 CG LYS A 123 1.448 11.965 -1.544 1.00 11.41 C ATOM 1122 CD LYS A 123 0.201 11.986 -2.430 1.00 45.04 C ATOM 1123 CE LYS A 123 -1.037 11.370 -1.773 1.00 65.42 C ATOM 1124 NZ LYS A 123 -1.758 12.257 -0.852 1.00 3.15 N ATOM 0 H LYS A 123 3.799 11.829 -0.811 1.00 72.13 H new ATOM 0 HA LYS A 123 2.717 14.123 0.689 1.00 41.44 H new ATOM 0 HB2 LYS A 123 0.613 12.368 0.364 1.00 51.34 H new ATOM 0 HB3 LYS A 123 0.921 13.794 -0.606 1.00 51.34 H new ATOM 0 HG2 LYS A 123 2.305 12.297 -2.130 1.00 11.41 H new ATOM 0 HG3 LYS A 123 1.649 10.938 -1.239 1.00 11.41 H new ATOM 0 HD2 LYS A 123 -0.021 13.017 -2.704 1.00 45.04 H new ATOM 0 HD3 LYS A 123 0.415 11.449 -3.354 1.00 45.04 H new ATOM 0 HE2 LYS A 123 -1.724 11.049 -2.556 1.00 65.42 H new ATOM 0 HE3 LYS A 123 -0.734 10.475 -1.229 1.00 65.42 H new ATOM 0 HZ1 LYS A 123 -2.771 12.022 -0.865 1.00 3.15 H new ATOM 0 HZ2 LYS A 123 -1.386 12.134 0.111 1.00 3.15 H new ATOM 0 HZ3 LYS A 123 -1.628 13.245 -1.149 1.00 3.15 H new ATOM 1138 N TYR A 124 3.101 11.152 1.778 1.00 43.34 N ATOM 1139 CA TYR A 124 3.115 10.277 2.952 1.00 40.44 C ATOM 1140 C TYR A 124 4.385 10.491 3.781 1.00 72.31 C ATOM 1141 O TYR A 124 4.303 10.776 4.970 1.00 64.04 O ATOM 1142 CB TYR A 124 3.030 8.814 2.513 1.00 4.11 C ATOM 1143 CG TYR A 124 1.782 8.448 1.744 1.00 53.43 C ATOM 1144 CD1 TYR A 124 1.542 8.971 0.483 1.00 54.34 C ATOM 1145 CD2 TYR A 124 0.855 7.563 2.263 1.00 23.34 C ATOM 1146 CE1 TYR A 124 0.431 8.648 -0.213 1.00 13.30 C ATOM 1147 CE2 TYR A 124 -0.271 7.229 1.550 1.00 12.00 C ATOM 1148 CZ TYR A 124 -0.472 7.786 0.314 1.00 15.11 C ATOM 1149 OH TYR A 124 -1.603 7.514 -0.374 1.00 44.40 O ATOM 0 H TYR A 124 3.472 10.710 0.937 1.00 43.34 H new ATOM 0 HA TYR A 124 2.252 10.524 3.570 1.00 40.44 H new ATOM 0 HB2 TYR A 124 3.899 8.585 1.896 1.00 4.11 H new ATOM 0 HB3 TYR A 124 3.092 8.181 3.398 1.00 4.11 H new ATOM 0 HD1 TYR A 124 2.259 9.651 0.048 1.00 54.34 H new ATOM 0 HD2 TYR A 124 1.018 7.130 3.239 1.00 23.34 H new ATOM 0 HE1 TYR A 124 0.262 9.077 -1.190 1.00 13.30 H new ATOM 0 HE2 TYR A 124 -0.990 6.535 1.959 1.00 12.00 H new ATOM 0 HH TYR A 124 -1.950 8.339 -0.772 1.00 44.40 H new ATOM 1159 N HIS A 125 5.558 10.344 3.150 1.00 45.34 N ATOM 1160 CA HIS A 125 6.858 10.572 3.839 1.00 5.13 C ATOM 1161 C HIS A 125 7.594 11.771 3.222 1.00 63.42 C ATOM 1162 O HIS A 125 8.587 11.582 2.555 1.00 61.53 O ATOM 1163 CB HIS A 125 7.804 9.338 3.744 1.00 52.33 C ATOM 1164 CG HIS A 125 7.346 8.060 4.386 1.00 2.13 C ATOM 1165 ND1 HIS A 125 6.674 7.969 5.581 1.00 61.34 N ATOM 1166 CD2 HIS A 125 7.463 6.799 3.928 1.00 4.13 C ATOM 1167 CE1 HIS A 125 6.400 6.687 5.813 1.00 73.31 C ATOM 1168 NE2 HIS A 125 6.862 5.907 4.803 1.00 60.31 N ATOM 0 H HIS A 125 5.645 10.071 2.171 1.00 45.34 H new ATOM 0 HA HIS A 125 6.617 10.758 4.886 1.00 5.13 H new ATOM 0 HB2 HIS A 125 7.989 9.137 2.689 1.00 52.33 H new ATOM 0 HB3 HIS A 125 8.761 9.613 4.188 1.00 52.33 H new ATOM 0 HD1 HIS A 125 6.427 8.751 6.187 1.00 61.34 H new ATOM 0 HD2 HIS A 125 7.956 6.521 3.008 1.00 4.13 H new ATOM 0 HE1 HIS A 125 5.881 6.318 6.685 1.00 73.31 H new ATOM 1176 N PRO A 126 7.108 12.998 3.419 1.00 62.01 N ATOM 1177 CA PRO A 126 7.680 14.193 2.784 1.00 51.22 C ATOM 1178 C PRO A 126 9.009 14.652 3.366 1.00 51.54 C ATOM 1179 O PRO A 126 9.269 14.516 4.573 1.00 0.42 O ATOM 1180 CB PRO A 126 6.621 15.243 3.025 1.00 1.21 C ATOM 1181 CG PRO A 126 5.999 14.821 4.311 1.00 31.14 C ATOM 1182 CD PRO A 126 5.971 13.334 4.263 1.00 4.53 C ATOM 0 HA PRO A 126 7.913 13.996 1.738 1.00 51.22 H new ATOM 0 HB2 PRO A 126 7.054 16.241 3.097 1.00 1.21 H new ATOM 0 HB3 PRO A 126 5.891 15.270 2.216 1.00 1.21 H new ATOM 0 HG2 PRO A 126 6.578 15.176 5.163 1.00 31.14 H new ATOM 0 HG3 PRO A 126 4.994 15.230 4.415 1.00 31.14 H new ATOM 0 HD2 PRO A 126 6.067 12.899 5.258 1.00 4.53 H new ATOM 0 HD3 PRO A 126 5.036 12.964 3.842 1.00 4.53 H new ATOM 1190 N GLY A 127 9.821 15.224 2.512 1.00 2.54 N ATOM 1191 CA GLY A 127 11.097 15.746 2.906 1.00 11.12 C ATOM 1192 C GLY A 127 12.018 15.824 1.730 1.00 11.45 C ATOM 1193 O GLY A 127 12.487 16.904 1.362 1.00 74.32 O ATOM 0 H GLY A 127 9.610 15.339 1.521 1.00 2.54 H new ATOM 0 HA2 GLY A 127 10.972 16.737 3.343 1.00 11.12 H new ATOM 0 HA3 GLY A 127 11.534 15.110 3.676 1.00 11.12 H new ATOM 1197 N GLU A 128 12.190 14.707 1.090 1.00 64.33 N ATOM 1198 CA GLU A 128 13.080 14.557 -0.040 1.00 51.42 C ATOM 1199 C GLU A 128 12.500 13.517 -0.958 1.00 42.45 C ATOM 1200 O GLU A 128 11.476 12.909 -0.623 1.00 10.12 O ATOM 1201 CB GLU A 128 14.504 14.196 0.435 1.00 64.22 C ATOM 1202 CG GLU A 128 14.603 12.934 1.272 1.00 71.13 C ATOM 1203 CD GLU A 128 15.367 11.852 0.577 1.00 54.44 C ATOM 1204 OE1 GLU A 128 16.616 11.812 0.697 1.00 4.33 O ATOM 1205 OE2 GLU A 128 14.752 11.050 -0.128 1.00 44.34 O ATOM 0 H GLU A 128 11.705 13.845 1.341 1.00 64.33 H new ATOM 0 HA GLU A 128 13.170 15.496 -0.587 1.00 51.42 H new ATOM 0 HB2 GLU A 128 15.145 14.084 -0.440 1.00 64.22 H new ATOM 0 HB3 GLU A 128 14.899 15.030 1.015 1.00 64.22 H new ATOM 0 HG2 GLU A 128 15.087 13.166 2.220 1.00 71.13 H new ATOM 0 HG3 GLU A 128 13.600 12.576 1.506 1.00 71.13 H new ATOM 1212 N GLU A 129 13.087 13.299 -2.103 1.00 54.12 N ATOM 1213 CA GLU A 129 12.512 12.327 -2.986 1.00 73.13 C ATOM 1214 C GLU A 129 13.572 11.399 -3.520 1.00 31.21 C ATOM 1215 O GLU A 129 14.186 11.660 -4.566 1.00 42.43 O ATOM 1216 CB GLU A 129 11.805 13.047 -4.122 1.00 43.45 C ATOM 1217 CG GLU A 129 10.974 12.152 -5.010 1.00 34.51 C ATOM 1218 CD GLU A 129 10.178 12.931 -6.024 1.00 62.44 C ATOM 1219 OE1 GLU A 129 9.219 13.635 -5.635 1.00 64.11 O ATOM 1220 OE2 GLU A 129 10.499 12.866 -7.232 1.00 13.14 O ATOM 0 H GLU A 129 13.932 13.763 -2.437 1.00 54.12 H new ATOM 0 HA GLU A 129 11.790 11.722 -2.437 1.00 73.13 H new ATOM 0 HB2 GLU A 129 11.161 13.819 -3.701 1.00 43.45 H new ATOM 0 HB3 GLU A 129 12.551 13.554 -4.734 1.00 43.45 H new ATOM 0 HG2 GLU A 129 11.627 11.449 -5.527 1.00 34.51 H new ATOM 0 HG3 GLU A 129 10.295 11.562 -4.394 1.00 34.51 H new ATOM 1227 N ASN A 130 13.783 10.302 -2.812 1.00 23.55 N ATOM 1228 CA ASN A 130 14.808 9.317 -3.156 1.00 73.31 C ATOM 1229 C ASN A 130 14.416 7.963 -2.595 1.00 50.22 C ATOM 1230 O ASN A 130 14.641 7.671 -1.422 1.00 11.30 O ATOM 1231 CB ASN A 130 16.179 9.719 -2.557 1.00 54.12 C ATOM 1232 CG ASN A 130 16.678 11.068 -3.042 1.00 14.01 C ATOM 1233 OD1 ASN A 130 16.276 12.107 -2.351 1.00 24.40 O flip ATOM 1234 ND2 ASN A 130 17.400 11.176 -4.042 1.00 15.04 N flip ATOM 0 H ASN A 130 13.248 10.064 -1.977 1.00 23.55 H new ATOM 0 HA ASN A 130 14.889 9.273 -4.242 1.00 73.31 H new ATOM 0 HB2 ASN A 130 16.100 9.739 -1.470 1.00 54.12 H new ATOM 0 HB3 ASN A 130 16.915 8.956 -2.809 1.00 54.12 H new ATOM 0 HD21 ASN A 130 17.692 10.343 -4.553 1.00 15.04 H new ATOM 0 HD22 ASN A 130 17.703 12.098 -4.355 1.00 15.04 H new ATOM 1241 N PHE A 131 13.785 7.177 -3.401 1.00 74.13 N ATOM 1242 CA PHE A 131 13.382 5.844 -3.018 1.00 71.03 C ATOM 1243 C PHE A 131 14.283 4.805 -3.687 1.00 34.40 C ATOM 1244 O PHE A 131 14.743 4.995 -4.818 1.00 74.03 O ATOM 1245 CB PHE A 131 11.931 5.590 -3.398 1.00 51.14 C ATOM 1246 CG PHE A 131 10.931 5.611 -2.264 1.00 75.52 C ATOM 1247 CD1 PHE A 131 10.859 4.554 -1.385 1.00 15.32 C ATOM 1248 CD2 PHE A 131 10.029 6.640 -2.121 1.00 35.34 C ATOM 1249 CE1 PHE A 131 9.911 4.521 -0.387 1.00 24.00 C ATOM 1250 CE2 PHE A 131 9.064 6.604 -1.119 1.00 51.33 C ATOM 1251 CZ PHE A 131 9.008 5.542 -0.260 1.00 62.52 C ATOM 0 H PHE A 131 13.527 7.433 -4.354 1.00 74.13 H new ATOM 0 HA PHE A 131 13.479 5.757 -1.936 1.00 71.03 H new ATOM 0 HB2 PHE A 131 11.633 6.339 -4.132 1.00 51.14 H new ATOM 0 HB3 PHE A 131 11.871 4.619 -3.890 1.00 51.14 H new ATOM 0 HD1 PHE A 131 11.558 3.736 -1.480 1.00 15.32 H new ATOM 0 HD2 PHE A 131 10.070 7.484 -2.793 1.00 35.34 H new ATOM 0 HE1 PHE A 131 9.880 3.687 0.298 1.00 24.00 H new ATOM 0 HE2 PHE A 131 8.359 7.416 -1.020 1.00 51.33 H new ATOM 0 HZ PHE A 131 8.256 5.509 0.514 1.00 62.52 H new ATOM 1261 N LYS A 132 14.525 3.732 -3.004 1.00 75.40 N ATOM 1262 CA LYS A 132 15.358 2.662 -3.492 1.00 22.13 C ATOM 1263 C LYS A 132 14.485 1.417 -3.661 1.00 30.51 C ATOM 1264 O LYS A 132 13.407 1.354 -3.101 1.00 1.34 O ATOM 1265 CB LYS A 132 16.468 2.365 -2.476 1.00 70.43 C ATOM 1266 CG LYS A 132 16.110 1.260 -1.501 1.00 4.22 C ATOM 1267 CD LYS A 132 17.225 0.921 -0.583 1.00 44.13 C ATOM 1268 CE LYS A 132 16.983 -0.446 0.004 1.00 11.33 C ATOM 1269 NZ LYS A 132 17.994 -0.811 1.008 1.00 1.35 N ATOM 0 H LYS A 132 14.145 3.565 -2.072 1.00 75.40 H new ATOM 0 HA LYS A 132 15.811 2.945 -4.442 1.00 22.13 H new ATOM 0 HB2 LYS A 132 17.376 2.087 -3.011 1.00 70.43 H new ATOM 0 HB3 LYS A 132 16.692 3.274 -1.918 1.00 70.43 H new ATOM 0 HG2 LYS A 132 15.243 1.565 -0.915 1.00 4.22 H new ATOM 0 HG3 LYS A 132 15.821 0.369 -2.059 1.00 4.22 H new ATOM 0 HD2 LYS A 132 18.173 0.937 -1.121 1.00 44.13 H new ATOM 0 HD3 LYS A 132 17.297 1.664 0.211 1.00 44.13 H new ATOM 0 HE2 LYS A 132 15.994 -0.472 0.462 1.00 11.33 H new ATOM 0 HE3 LYS A 132 16.984 -1.187 -0.795 1.00 11.33 H new ATOM 0 HZ1 LYS A 132 17.785 -1.758 1.382 1.00 1.35 H new ATOM 0 HZ2 LYS A 132 18.936 -0.813 0.567 1.00 1.35 H new ATOM 0 HZ3 LYS A 132 17.977 -0.120 1.785 1.00 1.35 H new ATOM 1283 N LEU A 133 14.963 0.425 -4.364 1.00 44.32 N ATOM 1284 CA LEU A 133 14.199 -0.780 -4.565 1.00 61.54 C ATOM 1285 C LEU A 133 14.972 -1.985 -4.050 1.00 34.44 C ATOM 1286 O LEU A 133 16.195 -2.063 -4.203 1.00 5.34 O ATOM 1287 CB LEU A 133 13.761 -0.981 -6.041 1.00 52.25 C ATOM 1288 CG LEU A 133 14.862 -1.024 -7.124 1.00 10.41 C ATOM 1289 CD1 LEU A 133 14.307 -1.649 -8.391 1.00 73.34 C ATOM 1290 CD2 LEU A 133 15.363 0.380 -7.456 1.00 52.22 C ATOM 0 H LEU A 133 15.881 0.427 -4.809 1.00 44.32 H new ATOM 0 HA LEU A 133 13.279 -0.676 -3.990 1.00 61.54 H new ATOM 0 HB2 LEU A 133 13.199 -1.913 -6.099 1.00 52.25 H new ATOM 0 HB3 LEU A 133 13.071 -0.177 -6.297 1.00 52.25 H new ATOM 0 HG LEU A 133 15.691 -1.616 -6.736 1.00 10.41 H new ATOM 0 HD11 LEU A 133 15.085 -1.678 -9.153 1.00 73.34 H new ATOM 0 HD12 LEU A 133 13.969 -2.663 -8.178 1.00 73.34 H new ATOM 0 HD13 LEU A 133 13.467 -1.055 -8.752 1.00 73.34 H new ATOM 0 HD21 LEU A 133 16.137 0.319 -8.221 1.00 52.22 H new ATOM 0 HD22 LEU A 133 14.534 0.984 -7.826 1.00 52.22 H new ATOM 0 HD23 LEU A 133 15.776 0.841 -6.558 1.00 52.22 H new ATOM 1302 N THR A 134 14.282 -2.856 -3.373 1.00 24.51 N ATOM 1303 CA THR A 134 14.845 -4.058 -2.845 1.00 2.20 C ATOM 1304 C THR A 134 13.755 -5.153 -2.846 1.00 25.12 C ATOM 1305 O THR A 134 12.754 -5.014 -2.176 1.00 50.12 O ATOM 1306 CB THR A 134 15.407 -3.802 -1.389 1.00 52.55 C ATOM 1307 OG1 THR A 134 15.933 -4.999 -0.798 1.00 51.12 O ATOM 1308 CG2 THR A 134 14.379 -3.163 -0.456 1.00 74.51 C ATOM 0 H THR A 134 13.289 -2.745 -3.170 1.00 24.51 H new ATOM 0 HA THR A 134 15.680 -4.389 -3.463 1.00 2.20 H new ATOM 0 HB THR A 134 16.222 -3.090 -1.514 1.00 52.55 H new ATOM 0 HG1 THR A 134 16.272 -4.799 0.100 1.00 51.12 H new ATOM 0 HG21 THR A 134 14.824 -3.013 0.527 1.00 74.51 H new ATOM 0 HG22 THR A 134 14.066 -2.202 -0.863 1.00 74.51 H new ATOM 0 HG23 THR A 134 13.513 -3.818 -0.366 1.00 74.51 H new ATOM 1316 N MET A 135 13.890 -6.218 -3.613 1.00 72.34 N ATOM 1317 CA MET A 135 12.810 -7.187 -3.546 1.00 62.03 C ATOM 1318 C MET A 135 13.123 -8.286 -2.626 1.00 15.05 C ATOM 1319 O MET A 135 13.942 -9.158 -2.894 1.00 54.12 O ATOM 1320 CB MET A 135 12.367 -7.715 -4.918 1.00 3.44 C ATOM 1321 CG MET A 135 13.433 -7.781 -6.010 1.00 32.32 C ATOM 1322 SD MET A 135 14.645 -9.092 -5.829 1.00 73.25 S ATOM 1323 CE MET A 135 15.675 -8.782 -7.268 1.00 74.02 C ATOM 0 H MET A 135 14.666 -6.428 -4.241 1.00 72.34 H new ATOM 0 HA MET A 135 11.955 -6.642 -3.146 1.00 62.03 H new ATOM 0 HB2 MET A 135 11.960 -8.717 -4.781 1.00 3.44 H new ATOM 0 HB3 MET A 135 11.552 -7.086 -5.277 1.00 3.44 H new ATOM 0 HG2 MET A 135 12.935 -7.901 -6.972 1.00 32.32 H new ATOM 0 HG3 MET A 135 13.958 -6.826 -6.039 1.00 32.32 H new ATOM 0 HE1 MET A 135 16.481 -9.515 -7.303 1.00 74.02 H new ATOM 0 HE2 MET A 135 15.071 -8.863 -8.172 1.00 74.02 H new ATOM 0 HE3 MET A 135 16.098 -7.780 -7.203 1.00 74.02 H new ATOM 1333 N VAL A 136 12.464 -8.208 -1.520 1.00 41.31 N ATOM 1334 CA VAL A 136 12.505 -9.160 -0.466 1.00 34.41 C ATOM 1335 C VAL A 136 11.164 -9.155 0.247 1.00 41.11 C ATOM 1336 O VAL A 136 10.847 -8.189 0.865 1.00 41.44 O ATOM 1337 CB VAL A 136 13.681 -8.857 0.533 1.00 74.32 C ATOM 1338 CG1 VAL A 136 14.981 -9.394 -0.029 1.00 31.33 C ATOM 1339 CG2 VAL A 136 13.833 -7.345 0.749 1.00 30.33 C ATOM 0 H VAL A 136 11.842 -7.426 -1.317 1.00 41.31 H new ATOM 0 HA VAL A 136 12.692 -10.150 -0.881 1.00 34.41 H new ATOM 0 HB VAL A 136 13.451 -9.338 1.484 1.00 74.32 H new ATOM 0 HG11 VAL A 136 15.793 -9.182 0.666 1.00 31.33 H new ATOM 0 HG12 VAL A 136 14.898 -10.471 -0.172 1.00 31.33 H new ATOM 0 HG13 VAL A 136 15.189 -8.916 -0.986 1.00 31.33 H new ATOM 0 HG21 VAL A 136 14.652 -7.157 1.443 1.00 30.33 H new ATOM 0 HG22 VAL A 136 14.047 -6.861 -0.204 1.00 30.33 H new ATOM 0 HG23 VAL A 136 12.908 -6.942 1.161 1.00 30.33 H new ATOM 1349 N LYS A 137 10.365 -10.152 0.172 1.00 11.42 N ATOM 1350 CA LYS A 137 9.164 -10.094 0.973 1.00 2.11 C ATOM 1351 C LYS A 137 8.928 -11.408 1.610 1.00 21.15 C ATOM 1352 O LYS A 137 8.668 -12.409 0.940 1.00 23.40 O ATOM 1353 CB LYS A 137 7.971 -9.609 0.208 1.00 53.33 C ATOM 1354 CG LYS A 137 6.824 -9.094 1.065 1.00 63.02 C ATOM 1355 CD LYS A 137 7.264 -7.868 1.848 1.00 10.21 C ATOM 1356 CE LYS A 137 6.111 -7.012 2.356 1.00 61.50 C ATOM 1357 NZ LYS A 137 6.608 -6.063 3.347 1.00 40.50 N ATOM 0 H LYS A 137 10.493 -10.987 -0.400 1.00 11.42 H new ATOM 0 HA LYS A 137 9.318 -9.350 1.754 1.00 2.11 H new ATOM 0 HB2 LYS A 137 8.289 -8.812 -0.464 1.00 53.33 H new ATOM 0 HB3 LYS A 137 7.602 -10.424 -0.415 1.00 53.33 H new ATOM 0 HG2 LYS A 137 5.972 -8.844 0.433 1.00 63.02 H new ATOM 0 HG3 LYS A 137 6.494 -9.874 1.751 1.00 63.02 H new ATOM 0 HD2 LYS A 137 7.867 -8.189 2.698 1.00 10.21 H new ATOM 0 HD3 LYS A 137 7.906 -7.256 1.215 1.00 10.21 H new ATOM 0 HE2 LYS A 137 5.648 -6.478 1.526 1.00 61.50 H new ATOM 0 HE3 LYS A 137 5.341 -7.645 2.797 1.00 61.50 H new ATOM 0 HZ1 LYS A 137 5.821 -5.479 3.694 1.00 40.50 H new ATOM 0 HZ2 LYS A 137 7.031 -6.582 4.143 1.00 40.50 H new ATOM 0 HZ3 LYS A 137 7.327 -5.451 2.911 1.00 40.50 H new ATOM 1371 N ARG A 138 9.012 -11.405 2.891 1.00 52.20 N ATOM 1372 CA ARG A 138 8.980 -12.595 3.646 1.00 44.24 C ATOM 1373 C ARG A 138 7.702 -12.619 4.445 1.00 75.22 C ATOM 1374 O ARG A 138 7.148 -11.555 4.726 1.00 4.34 O ATOM 1375 CB ARG A 138 10.242 -12.697 4.532 1.00 32.02 C ATOM 1376 CG ARG A 138 11.582 -12.613 3.750 1.00 4.02 C ATOM 1377 CD ARG A 138 11.963 -11.170 3.338 1.00 13.52 C ATOM 1378 NE ARG A 138 12.258 -10.283 4.482 1.00 22.13 N ATOM 1379 CZ ARG A 138 12.212 -8.924 4.468 1.00 62.04 C ATOM 1380 NH1 ARG A 138 11.682 -8.268 3.438 1.00 74.24 N ATOM 1381 NH2 ARG A 138 12.673 -8.240 5.503 1.00 72.41 N ATOM 0 H ARG A 138 9.107 -10.557 3.450 1.00 52.20 H new ATOM 0 HA ARG A 138 8.990 -13.469 2.995 1.00 44.24 H new ATOM 0 HB2 ARG A 138 10.217 -11.898 5.273 1.00 32.02 H new ATOM 0 HB3 ARG A 138 10.212 -13.640 5.079 1.00 32.02 H new ATOM 0 HG2 ARG A 138 12.380 -13.030 4.365 1.00 4.02 H new ATOM 0 HG3 ARG A 138 11.512 -13.232 2.856 1.00 4.02 H new ATOM 0 HD2 ARG A 138 12.834 -11.207 2.684 1.00 13.52 H new ATOM 0 HD3 ARG A 138 11.147 -10.740 2.758 1.00 13.52 H new ATOM 0 HE ARG A 138 12.520 -10.730 5.361 1.00 22.13 H new ATOM 0 HH11 ARG A 138 11.303 -8.785 2.645 1.00 74.24 H new ATOM 0 HH12 ARG A 138 11.655 -7.248 3.442 1.00 74.24 H new ATOM 0 HH21 ARG A 138 13.061 -8.732 6.308 1.00 72.41 H new ATOM 0 HH22 ARG A 138 12.640 -7.221 5.496 1.00 72.41 H new ATOM 1395 N ASN A 139 7.199 -13.824 4.739 1.00 30.14 N ATOM 1396 CA ASN A 139 5.891 -14.043 5.426 1.00 24.24 C ATOM 1397 C ASN A 139 4.739 -13.639 4.516 1.00 43.00 C ATOM 1398 O ASN A 139 3.584 -13.564 4.938 1.00 32.24 O ATOM 1399 CB ASN A 139 5.778 -13.302 6.792 1.00 34.44 C ATOM 1400 CG ASN A 139 6.647 -13.886 7.896 1.00 15.11 C ATOM 1401 OD1 ASN A 139 7.711 -14.451 7.646 1.00 44.33 O ATOM 1402 ND2 ASN A 139 6.222 -13.728 9.121 1.00 1.22 N ATOM 0 H ASN A 139 7.683 -14.692 4.510 1.00 30.14 H new ATOM 0 HA ASN A 139 5.835 -15.110 5.643 1.00 24.24 H new ATOM 0 HB2 ASN A 139 6.049 -12.256 6.648 1.00 34.44 H new ATOM 0 HB3 ASN A 139 4.738 -13.320 7.117 1.00 34.44 H new ATOM 0 HD21 ASN A 139 6.777 -14.077 9.902 1.00 1.22 H new ATOM 0 HD22 ASN A 139 5.335 -13.255 9.296 1.00 1.22 H new ATOM 1409 N ASN A 140 5.062 -13.434 3.248 1.00 61.20 N ATOM 1410 CA ASN A 140 4.122 -12.958 2.239 1.00 53.45 C ATOM 1411 C ASN A 140 4.590 -13.497 0.886 1.00 43.20 C ATOM 1412 O ASN A 140 5.245 -14.551 0.810 1.00 10.42 O ATOM 1413 CB ASN A 140 4.142 -11.401 2.156 1.00 25.23 C ATOM 1414 CG ASN A 140 3.767 -10.641 3.420 1.00 4.24 C ATOM 1415 OD1 ASN A 140 2.611 -10.334 3.654 1.00 62.05 O ATOM 1416 ND2 ASN A 140 4.752 -10.296 4.210 1.00 33.45 N ATOM 0 H ASN A 140 6.001 -13.596 2.883 1.00 61.20 H new ATOM 0 HA ASN A 140 3.117 -13.292 2.496 1.00 53.45 H new ATOM 0 HB2 ASN A 140 5.143 -11.090 1.857 1.00 25.23 H new ATOM 0 HB3 ASN A 140 3.462 -11.095 1.361 1.00 25.23 H new ATOM 0 HD21 ASN A 140 4.564 -9.753 5.053 1.00 33.45 H new ATOM 0 HD22 ASN A 140 5.708 -10.570 3.983 1.00 33.45 H new ATOM 1423 N GLN A 141 4.277 -12.783 -0.168 1.00 2.25 N ATOM 1424 CA GLN A 141 4.705 -13.120 -1.496 1.00 2.24 C ATOM 1425 C GLN A 141 5.933 -12.318 -1.775 1.00 32.31 C ATOM 1426 O GLN A 141 6.164 -11.363 -1.085 1.00 33.41 O ATOM 1427 CB GLN A 141 3.641 -12.766 -2.539 1.00 35.44 C ATOM 1428 CG GLN A 141 3.312 -11.292 -2.731 1.00 71.11 C ATOM 1429 CD GLN A 141 2.530 -10.681 -1.605 1.00 61.40 C ATOM 1430 OE1 GLN A 141 3.213 -10.110 -0.661 1.00 74.44 O flip ATOM 1431 NE2 GLN A 141 1.325 -10.700 -1.598 1.00 1.21 N flip ATOM 0 H GLN A 141 3.708 -11.938 -0.122 1.00 2.25 H new ATOM 0 HA GLN A 141 4.887 -14.193 -1.557 1.00 2.24 H new ATOM 0 HB2 GLN A 141 3.964 -13.167 -3.500 1.00 35.44 H new ATOM 0 HB3 GLN A 141 2.721 -13.285 -2.271 1.00 35.44 H new ATOM 0 HG2 GLN A 141 4.242 -10.737 -2.854 1.00 71.11 H new ATOM 0 HG3 GLN A 141 2.746 -11.176 -3.655 1.00 71.11 H new ATOM 0 HE21 GLN A 141 0.818 -11.157 -2.356 1.00 1.21 H new ATOM 0 HE22 GLN A 141 0.812 -10.259 -0.835 1.00 1.21 H new ATOM 1440 N THR A 142 6.657 -12.630 -2.801 1.00 12.24 N ATOM 1441 CA THR A 142 7.844 -11.891 -3.090 1.00 42.01 C ATOM 1442 C THR A 142 7.541 -10.766 -4.063 1.00 31.05 C ATOM 1443 O THR A 142 7.158 -10.962 -5.220 1.00 1.12 O ATOM 1444 CB THR A 142 9.007 -12.792 -3.534 1.00 61.23 C ATOM 1445 OG1 THR A 142 8.522 -13.823 -4.421 1.00 61.13 O ATOM 1446 CG2 THR A 142 9.691 -13.415 -2.309 1.00 1.40 C ATOM 0 H THR A 142 6.449 -13.388 -3.451 1.00 12.24 H new ATOM 0 HA THR A 142 8.192 -11.430 -2.166 1.00 42.01 H new ATOM 0 HB THR A 142 9.740 -12.188 -4.069 1.00 61.23 H new ATOM 0 HG1 THR A 142 9.269 -14.392 -4.701 1.00 61.13 H new ATOM 0 HG21 THR A 142 10.513 -14.051 -2.636 1.00 1.40 H new ATOM 0 HG22 THR A 142 10.078 -12.624 -1.667 1.00 1.40 H new ATOM 0 HG23 THR A 142 8.968 -14.013 -1.754 1.00 1.40 H new ATOM 1454 N ILE A 143 7.638 -9.610 -3.504 1.00 55.41 N ATOM 1455 CA ILE A 143 7.287 -8.336 -4.052 1.00 63.11 C ATOM 1456 C ILE A 143 8.404 -7.344 -3.773 1.00 33.34 C ATOM 1457 O ILE A 143 9.206 -7.571 -2.856 1.00 10.34 O ATOM 1458 CB ILE A 143 5.896 -7.842 -3.560 1.00 12.21 C ATOM 1459 CG1 ILE A 143 5.748 -7.975 -2.084 1.00 31.33 C ATOM 1460 CG2 ILE A 143 4.767 -8.536 -4.254 1.00 1.05 C ATOM 1461 CD1 ILE A 143 6.428 -6.878 -1.345 1.00 14.04 C ATOM 0 H ILE A 143 8.002 -9.520 -2.555 1.00 55.41 H new ATOM 0 HA ILE A 143 7.181 -8.434 -5.132 1.00 63.11 H new ATOM 0 HB ILE A 143 5.847 -6.784 -3.816 1.00 12.21 H new ATOM 0 HG12 ILE A 143 4.689 -7.981 -1.827 1.00 31.33 H new ATOM 0 HG13 ILE A 143 6.158 -8.933 -1.765 1.00 31.33 H new ATOM 0 HG21 ILE A 143 3.818 -8.156 -3.875 1.00 1.05 H new ATOM 0 HG22 ILE A 143 4.830 -8.351 -5.326 1.00 1.05 H new ATOM 0 HG23 ILE A 143 4.829 -9.608 -4.067 1.00 1.05 H new ATOM 0 HD11 ILE A 143 6.290 -7.021 -0.273 1.00 14.04 H new ATOM 0 HD12 ILE A 143 7.493 -6.887 -1.578 1.00 14.04 H new ATOM 0 HD13 ILE A 143 6.000 -5.920 -1.641 1.00 14.04 H new ATOM 1473 N PHE A 144 8.501 -6.310 -4.556 1.00 5.51 N ATOM 1474 CA PHE A 144 9.620 -5.406 -4.470 1.00 20.35 C ATOM 1475 C PHE A 144 9.301 -4.338 -3.460 1.00 40.30 C ATOM 1476 O PHE A 144 8.263 -3.671 -3.528 1.00 40.11 O ATOM 1477 CB PHE A 144 9.809 -4.677 -5.802 1.00 43.34 C ATOM 1478 CG PHE A 144 10.056 -5.516 -7.009 1.00 63.42 C ATOM 1479 CD1 PHE A 144 9.010 -6.157 -7.658 1.00 3.41 C ATOM 1480 CD2 PHE A 144 11.319 -5.635 -7.511 1.00 12.32 C ATOM 1481 CE1 PHE A 144 9.238 -6.909 -8.788 1.00 64.40 C ATOM 1482 CE2 PHE A 144 11.562 -6.382 -8.648 1.00 31.51 C ATOM 1483 CZ PHE A 144 10.519 -7.023 -9.286 1.00 34.32 C ATOM 0 H PHE A 144 7.814 -6.067 -5.269 1.00 5.51 H new ATOM 0 HA PHE A 144 10.508 -5.980 -4.204 1.00 20.35 H new ATOM 0 HB2 PHE A 144 8.920 -4.074 -5.986 1.00 43.34 H new ATOM 0 HB3 PHE A 144 10.646 -3.987 -5.694 1.00 43.34 H new ATOM 0 HD1 PHE A 144 8.006 -6.065 -7.272 1.00 3.41 H new ATOM 0 HD2 PHE A 144 12.139 -5.139 -7.013 1.00 12.32 H new ATOM 0 HE1 PHE A 144 8.417 -7.408 -9.282 1.00 64.40 H new ATOM 0 HE2 PHE A 144 12.566 -6.464 -9.037 1.00 31.51 H new ATOM 0 HZ PHE A 144 10.706 -7.612 -10.172 1.00 34.32 H new ATOM 1493 N GLU A 145 10.187 -4.206 -2.520 1.00 3.02 N ATOM 1494 CA GLU A 145 10.051 -3.269 -1.472 1.00 23.23 C ATOM 1495 C GLU A 145 10.792 -2.012 -1.862 1.00 74.32 C ATOM 1496 O GLU A 145 11.850 -2.075 -2.490 1.00 72.03 O ATOM 1497 CB GLU A 145 10.584 -3.843 -0.137 1.00 33.24 C ATOM 1498 CG GLU A 145 9.998 -5.185 0.265 1.00 64.30 C ATOM 1499 CD GLU A 145 9.919 -5.378 1.787 1.00 71.30 C ATOM 1500 OE1 GLU A 145 10.912 -5.824 2.423 1.00 40.22 O ATOM 1501 OE2 GLU A 145 8.832 -5.064 2.381 1.00 52.23 O ATOM 0 H GLU A 145 11.039 -4.764 -2.469 1.00 3.02 H new ATOM 0 HA GLU A 145 8.997 -3.040 -1.316 1.00 23.23 H new ATOM 0 HB2 GLU A 145 11.667 -3.943 -0.209 1.00 33.24 H new ATOM 0 HB3 GLU A 145 10.383 -3.123 0.657 1.00 33.24 H new ATOM 0 HG2 GLU A 145 8.998 -5.280 -0.159 1.00 64.30 H new ATOM 0 HG3 GLU A 145 10.604 -5.983 -0.165 1.00 64.30 H new ATOM 1508 N GLN A 146 10.232 -0.894 -1.547 1.00 73.45 N ATOM 1509 CA GLN A 146 10.816 0.356 -1.901 1.00 54.14 C ATOM 1510 C GLN A 146 11.088 1.141 -0.616 1.00 54.24 C ATOM 1511 O GLN A 146 10.144 1.486 0.117 1.00 55.43 O ATOM 1512 CB GLN A 146 9.867 1.107 -2.858 1.00 13.42 C ATOM 1513 CG GLN A 146 10.573 2.179 -3.657 1.00 11.05 C ATOM 1514 CD GLN A 146 9.730 2.853 -4.707 1.00 62.12 C ATOM 1515 OE1 GLN A 146 9.679 2.419 -5.847 1.00 4.02 O ATOM 1516 NE2 GLN A 146 9.083 3.931 -4.351 1.00 51.14 N ATOM 0 H GLN A 146 9.353 -0.820 -1.035 1.00 73.45 H new ATOM 0 HA GLN A 146 11.763 0.219 -2.424 1.00 54.14 H new ATOM 0 HB2 GLN A 146 9.408 0.393 -3.542 1.00 13.42 H new ATOM 0 HB3 GLN A 146 9.061 1.561 -2.282 1.00 13.42 H new ATOM 0 HG2 GLN A 146 10.944 2.938 -2.969 1.00 11.05 H new ATOM 0 HG3 GLN A 146 11.443 1.736 -4.141 1.00 11.05 H new ATOM 0 HE21 GLN A 146 9.145 4.269 -3.391 1.00 51.14 H new ATOM 0 HE22 GLN A 146 8.516 4.434 -5.033 1.00 51.14 H new ATOM 1525 N THR A 147 12.362 1.355 -0.309 1.00 33.41 N ATOM 1526 CA THR A 147 12.775 2.012 0.931 1.00 4.33 C ATOM 1527 C THR A 147 13.407 3.353 0.637 1.00 1.55 C ATOM 1528 O THR A 147 13.848 3.596 -0.470 1.00 42.14 O ATOM 1529 CB THR A 147 13.811 1.153 1.678 1.00 65.53 C ATOM 1530 OG1 THR A 147 13.950 -0.134 1.032 1.00 3.35 O ATOM 1531 CG2 THR A 147 13.387 0.954 3.125 1.00 73.32 C ATOM 0 H THR A 147 13.139 1.079 -0.910 1.00 33.41 H new ATOM 0 HA THR A 147 11.884 2.144 1.545 1.00 4.33 H new ATOM 0 HB THR A 147 14.770 1.671 1.656 1.00 65.53 H new ATOM 0 HG1 THR A 147 14.316 -0.782 1.669 1.00 3.35 H new ATOM 0 HG21 THR A 147 14.129 0.345 3.641 1.00 73.32 H new ATOM 0 HG22 THR A 147 13.307 1.923 3.617 1.00 73.32 H new ATOM 0 HG23 THR A 147 12.420 0.451 3.155 1.00 73.32 H new ATOM 1539 N ILE A 148 13.457 4.209 1.610 1.00 73.03 N ATOM 1540 CA ILE A 148 14.030 5.517 1.444 1.00 33.42 C ATOM 1541 C ILE A 148 15.365 5.552 2.149 1.00 1.31 C ATOM 1542 O ILE A 148 15.613 4.784 3.076 1.00 14.45 O ATOM 1543 CB ILE A 148 13.117 6.590 2.055 1.00 71.30 C ATOM 1544 CG1 ILE A 148 11.688 6.269 1.666 1.00 43.55 C ATOM 1545 CG2 ILE A 148 13.503 7.941 1.475 1.00 15.41 C ATOM 1546 CD1 ILE A 148 10.613 6.896 2.496 1.00 53.34 C ATOM 0 H ILE A 148 13.101 4.023 2.548 1.00 73.03 H new ATOM 0 HA ILE A 148 14.148 5.721 0.380 1.00 33.42 H new ATOM 0 HB ILE A 148 13.216 6.613 3.140 1.00 71.30 H new ATOM 0 HG12 ILE A 148 11.540 6.573 0.630 1.00 43.55 H new ATOM 0 HG13 ILE A 148 11.559 5.187 1.702 1.00 43.55 H new ATOM 0 HG21 ILE A 148 12.863 8.715 1.899 1.00 15.41 H new ATOM 0 HG22 ILE A 148 14.544 8.157 1.717 1.00 15.41 H new ATOM 0 HG23 ILE A 148 13.379 7.921 0.392 1.00 15.41 H new ATOM 0 HD11 ILE A 148 9.637 6.590 2.119 1.00 53.34 H new ATOM 0 HD12 ILE A 148 10.719 6.574 3.532 1.00 53.34 H new ATOM 0 HD13 ILE A 148 10.699 7.981 2.443 1.00 53.34 H new ATOM 1558 N ASN A 149 16.220 6.418 1.704 1.00 21.02 N ATOM 1559 CA ASN A 149 17.537 6.574 2.266 1.00 5.41 C ATOM 1560 C ASN A 149 17.562 7.690 3.298 1.00 11.21 C ATOM 1561 O ASN A 149 18.627 8.072 3.784 1.00 32.54 O ATOM 1562 CB ASN A 149 18.562 6.864 1.141 1.00 13.52 C ATOM 1563 CG ASN A 149 18.138 7.961 0.146 1.00 53.24 C ATOM 1564 OD1 ASN A 149 17.374 8.941 0.583 1.00 22.43 O flip ATOM 1565 ND2 ASN A 149 18.512 7.919 -1.017 1.00 12.32 N flip ATOM 0 H ASN A 149 16.025 7.050 0.927 1.00 21.02 H new ATOM 0 HA ASN A 149 17.807 5.644 2.766 1.00 5.41 H new ATOM 0 HB2 ASN A 149 19.509 7.154 1.597 1.00 13.52 H new ATOM 0 HB3 ASN A 149 18.743 5.942 0.588 1.00 13.52 H new ATOM 0 HD21 ASN A 149 19.103 7.151 -1.335 1.00 12.32 H new ATOM 0 HD22 ASN A 149 18.233 8.652 -1.669 1.00 12.32 H new ATOM 1572 N ASP A 150 16.401 8.212 3.647 1.00 22.34 N ATOM 1573 CA ASP A 150 16.363 9.372 4.528 1.00 54.04 C ATOM 1574 C ASP A 150 15.067 9.437 5.306 1.00 5.20 C ATOM 1575 O ASP A 150 15.064 9.498 6.527 1.00 62.43 O ATOM 1576 CB ASP A 150 16.487 10.616 3.687 1.00 62.41 C ATOM 1577 CG ASP A 150 16.854 11.826 4.509 1.00 72.43 C ATOM 1578 OD1 ASP A 150 18.045 11.992 4.818 1.00 74.54 O ATOM 1579 OD2 ASP A 150 15.973 12.608 4.883 1.00 55.51 O ATOM 0 H ASP A 150 15.491 7.865 3.345 1.00 22.34 H new ATOM 0 HA ASP A 150 17.184 9.292 5.240 1.00 54.04 H new ATOM 0 HB2 ASP A 150 17.243 10.459 2.918 1.00 62.41 H new ATOM 0 HB3 ASP A 150 15.544 10.801 3.173 1.00 62.41 H new ATOM 1584 N LEU A 151 13.967 9.368 4.581 1.00 43.23 N ATOM 1585 CA LEU A 151 12.597 9.461 5.130 1.00 55.35 C ATOM 1586 C LEU A 151 12.154 8.100 5.682 1.00 4.40 C ATOM 1587 O LEU A 151 10.972 7.838 5.853 1.00 71.12 O ATOM 1588 CB LEU A 151 11.668 9.846 3.986 1.00 5.44 C ATOM 1589 CG LEU A 151 12.103 11.027 3.133 1.00 32.03 C ATOM 1590 CD1 LEU A 151 11.640 10.833 1.711 1.00 33.25 C ATOM 1591 CD2 LEU A 151 11.523 12.290 3.666 1.00 71.22 C ATOM 0 H LEU A 151 13.985 9.243 3.569 1.00 43.23 H new ATOM 0 HA LEU A 151 12.568 10.196 5.934 1.00 55.35 H new ATOM 0 HB2 LEU A 151 11.549 8.980 3.335 1.00 5.44 H new ATOM 0 HB3 LEU A 151 10.686 10.069 4.403 1.00 5.44 H new ATOM 0 HG LEU A 151 13.191 11.090 3.159 1.00 32.03 H new ATOM 0 HD11 LEU A 151 11.956 11.683 1.106 1.00 33.25 H new ATOM 0 HD12 LEU A 151 12.076 9.919 1.308 1.00 33.25 H new ATOM 0 HD13 LEU A 151 10.553 10.756 1.690 1.00 33.25 H new ATOM 0 HD21 LEU A 151 11.843 13.127 3.046 1.00 71.22 H new ATOM 0 HD22 LEU A 151 10.435 12.224 3.654 1.00 71.22 H new ATOM 0 HD23 LEU A 151 11.866 12.445 4.689 1.00 71.22 H new ATOM 1603 N THR A 152 13.131 7.277 5.944 1.00 71.30 N ATOM 1604 CA THR A 152 13.011 5.924 6.435 1.00 20.04 C ATOM 1605 C THR A 152 12.172 5.823 7.736 1.00 1.04 C ATOM 1606 O THR A 152 11.472 4.834 7.969 1.00 63.05 O ATOM 1607 CB THR A 152 14.441 5.441 6.704 1.00 15.32 C ATOM 1608 OG1 THR A 152 15.259 5.852 5.588 1.00 14.52 O ATOM 1609 CG2 THR A 152 14.513 3.928 6.852 1.00 11.22 C ATOM 0 H THR A 152 14.105 7.550 5.812 1.00 71.30 H new ATOM 0 HA THR A 152 12.491 5.314 5.696 1.00 20.04 H new ATOM 0 HB THR A 152 14.792 5.875 7.640 1.00 15.32 H new ATOM 0 HG1 THR A 152 15.123 5.236 4.838 1.00 14.52 H new ATOM 0 HG21 THR A 152 15.544 3.630 7.041 1.00 11.22 H new ATOM 0 HG22 THR A 152 13.885 3.614 7.686 1.00 11.22 H new ATOM 0 HG23 THR A 152 14.161 3.456 5.935 1.00 11.22 H new ATOM 1617 N PHE A 153 12.223 6.843 8.560 1.00 70.12 N ATOM 1618 CA PHE A 153 11.526 6.792 9.838 1.00 13.10 C ATOM 1619 C PHE A 153 10.462 7.870 9.923 1.00 53.44 C ATOM 1620 O PHE A 153 10.619 8.954 9.329 1.00 61.21 O ATOM 1621 CB PHE A 153 12.519 6.927 10.997 1.00 22.40 C ATOM 1622 CG PHE A 153 13.597 5.873 10.997 1.00 34.20 C ATOM 1623 CD1 PHE A 153 13.307 4.564 11.344 1.00 22.22 C ATOM 1624 CD2 PHE A 153 14.897 6.193 10.637 1.00 12.23 C ATOM 1625 CE1 PHE A 153 14.291 3.596 11.335 1.00 2.10 C ATOM 1626 CE2 PHE A 153 15.883 5.229 10.626 1.00 24.32 C ATOM 1627 CZ PHE A 153 15.581 3.929 10.975 1.00 52.22 C ATOM 0 H PHE A 153 12.730 7.709 8.379 1.00 70.12 H new ATOM 0 HA PHE A 153 11.032 5.823 9.913 1.00 13.10 H new ATOM 0 HB2 PHE A 153 12.985 7.911 10.952 1.00 22.40 H new ATOM 0 HB3 PHE A 153 11.973 6.876 11.939 1.00 22.40 H new ATOM 0 HD1 PHE A 153 12.299 4.297 11.625 1.00 22.22 H new ATOM 0 HD2 PHE A 153 15.140 7.209 10.362 1.00 12.23 H new ATOM 0 HE1 PHE A 153 14.052 2.579 11.609 1.00 2.10 H new ATOM 0 HE2 PHE A 153 16.892 5.492 10.344 1.00 24.32 H new ATOM 0 HZ PHE A 153 16.353 3.173 10.967 1.00 52.22 H new TER 1637 PHE A 153 HETATM 1638 ZN ZN A 205 -6.346 -4.820 2.526 1.00 52.02 ZN HETATM 1639 ZN ZN A 305 6.033 4.512 3.818 1.00 61.22 ZN