USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1157 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 LYS NZ :NH3+ 148:sc= 1.38 (180deg=0.108) USER MOD Set 1.2: A 100 GLN : amide:sc= 0.489 K(o=1.9,f=-7) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.0726 K(o=-0.88,f=-3.6!) USER MOD Set 2.2: A 85 GLN : amide:sc= -0.948 X(o=-0.88,f=-0.81) USER MOD Set 3.1: A 57 LYS NZ :NH3+ 170:sc= 0.48 (180deg=0.238) USER MOD Set 3.2: A 59 ASN : amide:sc= -0.55 K(o=-0.071,f=-3.5!) USER MOD Set 4.1: A 2 LYS NZ :NH3+ -176:sc= 1.69 (180deg=1.67) USER MOD Set 4.2: A 76 TYR OH : rot -42:sc= 0.237 USER MOD Single : A 1 MET CE :methyl -146:sc= -0.988 (180deg=-2.19) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.25 (180deg=0.59) USER MOD Single : A 8 ASN : amide:sc= 0.417 X(o=0.42,f=-0.0041) USER MOD Single : A 9 THR OG1 : rot 44:sc= 0.261 USER MOD Single : A 10 ASN : amide:sc= 0.191 K(o=0.19,f=-0.52) USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= 0.573 (180deg=0.421) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= -0.172 (180deg=-1.23!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= 0.701 (180deg=0.175) USER MOD Single : A 24 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.37) USER MOD Single : A 25 GLN : amide:sc= 0.103 X(o=0.1,f=-0.0038) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.313 K(o=0.31,f=-5.5!) USER MOD Single : A 33 ASN : amide:sc= 0.0256 X(o=0.026,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -108:sc= 1.03 (180deg=-0.117) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -177:sc= -0.391 (180deg=-0.413) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 145:sc= 0.395 (180deg=-0.368) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0474 K(o=-0.047,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.049) USER MOD Single : A 58 SER OG : rot 160:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= 0.602 (180deg=0.176) USER MOD Single : A 62 GLN : amide:sc= -0.532 K(o=-0.53,f=0) USER MOD Single : A 67 MET CE :methyl 163:sc= -3.46! (180deg=-4.36!) USER MOD Single : A 72 SER OG : rot -91:sc= 0.421 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 0.754 (180deg=0.735) USER MOD Single : A 88 ASN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -114:sc= 0.763 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0118) USER MOD Single : A 99 SER OG : rot 83:sc= 0.774 USER MOD Single : A 102 TYR OH : rot -143:sc= 0.306 USER MOD Single : A 106 LYS NZ :NH3+ 162:sc= 1.53 (180deg=0.926) USER MOD Single : A 108 THR OG1 : rot 79:sc= 0.305 USER MOD Single : A 115 LYS NZ :NH3+ -116:sc= 0.534 (180deg=0.144) USER MOD Single : A 121 MET CE :methyl -175:sc= -0.147 (180deg=-0.168) USER MOD Single : A 122 GLN : amide:sc=-0.00349 X(o=-0.0035,f=-0.11) USER MOD Single : A 123 LYS NZ :NH3+ -150:sc= 0.619 (180deg=-0.0791) USER MOD Single : A 126 SER OG : rot 68:sc= 0.405 USER MOD Single : A 129 HIS : no HE2:sc= 0.0522 K(o=0.052,f=-0.52) USER MOD Single : A 130 HIS : no HE2:sc= -0.0258 K(o=-0.026,f=-0.65) USER MOD Single : A 131 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=-0.2) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 133 HIS : no HE2:sc= 0.125 K(o=0.13,f=-0.52) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.087 10.056 13.650 1.00 0.00 N ATOM 2 CA MET A 1 4.388 9.893 12.208 1.00 52.33 C ATOM 3 C MET A 1 4.871 8.465 11.951 1.00 4.31 C ATOM 4 O MET A 1 5.794 8.007 12.623 1.00 51.34 O ATOM 5 CB MET A 1 5.468 10.918 11.778 1.00 62.32 C ATOM 6 CG MET A 1 5.767 10.931 10.277 1.00 15.24 C ATOM 7 SD MET A 1 4.287 11.299 9.308 1.00 25.02 S ATOM 8 CE MET A 1 4.949 11.349 7.649 1.00 75.31 C ATOM 0 H1 MET A 1 3.404 10.830 13.777 1.00 0.00 H new ATOM 0 H2 MET A 1 3.682 9.173 14.022 1.00 0.00 H new ATOM 0 H3 MET A 1 4.963 10.279 14.164 1.00 0.00 H new ATOM 0 HA MET A 1 3.487 10.074 11.621 1.00 52.33 H new ATOM 0 HB2 MET A 1 5.146 11.915 12.080 1.00 62.32 H new ATOM 0 HB3 MET A 1 6.390 10.703 12.318 1.00 62.32 H new ATOM 0 HG2 MET A 1 6.536 11.674 10.065 1.00 15.24 H new ATOM 0 HG3 MET A 1 6.168 9.963 9.977 1.00 15.24 H new ATOM 0 HE1 MET A 1 4.409 12.094 7.064 1.00 75.31 H new ATOM 0 HE2 MET A 1 6.006 11.613 7.687 1.00 75.31 H new ATOM 0 HE3 MET A 1 4.836 10.370 7.183 1.00 75.31 H new ATOM 20 N LYS A 2 4.264 7.768 10.973 1.00 22.54 N ATOM 21 CA LYS A 2 4.628 6.378 10.644 1.00 53.15 C ATOM 22 C LYS A 2 4.508 6.124 9.137 1.00 21.15 C ATOM 23 O LYS A 2 3.844 6.881 8.411 1.00 41.05 O ATOM 24 CB LYS A 2 3.760 5.369 11.450 1.00 62.13 C ATOM 25 CG LYS A 2 2.240 5.480 11.221 1.00 14.22 C ATOM 26 CD LYS A 2 1.444 4.415 12.010 1.00 53.23 C ATOM 27 CE LYS A 2 -0.066 4.508 11.761 1.00 2.01 C ATOM 28 NZ LYS A 2 -0.630 5.809 12.202 1.00 25.53 N ATOM 0 H LYS A 2 3.515 8.148 10.394 1.00 22.54 H new ATOM 0 HA LYS A 2 5.669 6.226 10.929 1.00 53.15 H new ATOM 0 HB2 LYS A 2 4.077 4.358 11.195 1.00 62.13 H new ATOM 0 HB3 LYS A 2 3.962 5.508 12.512 1.00 62.13 H new ATOM 0 HG2 LYS A 2 1.903 6.474 11.516 1.00 14.22 H new ATOM 0 HG3 LYS A 2 2.027 5.374 10.157 1.00 14.22 H new ATOM 0 HD2 LYS A 2 1.795 3.422 11.729 1.00 53.23 H new ATOM 0 HD3 LYS A 2 1.641 4.534 13.075 1.00 53.23 H new ATOM 0 HE2 LYS A 2 -0.266 4.369 10.699 1.00 2.01 H new ATOM 0 HE3 LYS A 2 -0.570 3.698 12.289 1.00 2.01 H new ATOM 0 HZ1 LYS A 2 -1.662 5.800 12.077 1.00 25.53 H new ATOM 0 HZ2 LYS A 2 -0.404 5.963 13.205 1.00 25.53 H new ATOM 0 HZ3 LYS A 2 -0.219 6.576 11.633 1.00 25.53 H new ATOM 42 N ILE A 3 5.162 5.045 8.692 1.00 70.34 N ATOM 43 CA ILE A 3 5.233 4.641 7.279 1.00 50.42 C ATOM 44 C ILE A 3 4.176 3.570 7.000 1.00 35.34 C ATOM 45 O ILE A 3 4.168 2.525 7.650 1.00 54.24 O ATOM 46 CB ILE A 3 6.661 4.060 6.943 1.00 63.34 C ATOM 47 CG1 ILE A 3 7.768 5.128 7.219 1.00 5.23 C ATOM 48 CG2 ILE A 3 6.730 3.528 5.483 1.00 50.11 C ATOM 49 CD1 ILE A 3 9.186 4.602 7.138 1.00 74.24 C ATOM 0 H ILE A 3 5.667 4.414 9.314 1.00 70.34 H new ATOM 0 HA ILE A 3 5.050 5.516 6.656 1.00 50.42 H new ATOM 0 HB ILE A 3 6.843 3.210 7.601 1.00 63.34 H new ATOM 0 HG12 ILE A 3 7.655 5.942 6.503 1.00 5.23 H new ATOM 0 HG13 ILE A 3 7.607 5.551 8.211 1.00 5.23 H new ATOM 0 HG21 ILE A 3 7.727 3.135 5.286 1.00 50.11 H new ATOM 0 HG22 ILE A 3 5.995 2.735 5.350 1.00 50.11 H new ATOM 0 HG23 ILE A 3 6.516 4.341 4.789 1.00 50.11 H new ATOM 0 HD11 ILE A 3 9.887 5.411 7.343 1.00 74.24 H new ATOM 0 HD12 ILE A 3 9.322 3.809 7.873 1.00 74.24 H new ATOM 0 HD13 ILE A 3 9.371 4.207 6.139 1.00 74.24 H new ATOM 61 N LEU A 4 3.265 3.851 6.061 1.00 43.43 N ATOM 62 CA LEU A 4 2.333 2.850 5.512 1.00 52.43 C ATOM 63 C LEU A 4 2.564 2.753 4.006 1.00 13.40 C ATOM 64 O LEU A 4 2.506 3.759 3.302 1.00 41.34 O ATOM 65 CB LEU A 4 0.845 3.208 5.812 1.00 51.24 C ATOM 66 CG LEU A 4 0.238 2.667 7.146 1.00 14.23 C ATOM 67 CD1 LEU A 4 0.966 3.202 8.393 1.00 44.45 C ATOM 68 CD2 LEU A 4 -1.274 2.968 7.200 1.00 51.44 C ATOM 0 H LEU A 4 3.150 4.781 5.657 1.00 43.43 H new ATOM 0 HA LEU A 4 2.527 1.890 5.991 1.00 52.43 H new ATOM 0 HB2 LEU A 4 0.752 4.294 5.814 1.00 51.24 H new ATOM 0 HB3 LEU A 4 0.235 2.837 4.988 1.00 51.24 H new ATOM 0 HG LEU A 4 0.382 1.587 7.157 1.00 14.23 H new ATOM 0 HD11 LEU A 4 0.501 2.792 9.290 1.00 44.45 H new ATOM 0 HD12 LEU A 4 2.014 2.903 8.359 1.00 44.45 H new ATOM 0 HD13 LEU A 4 0.900 4.290 8.414 1.00 44.45 H new ATOM 0 HD21 LEU A 4 -1.688 2.587 8.134 1.00 51.44 H new ATOM 0 HD22 LEU A 4 -1.433 4.045 7.146 1.00 51.44 H new ATOM 0 HD23 LEU A 4 -1.771 2.485 6.359 1.00 51.44 H new ATOM 80 N ILE A 5 2.854 1.541 3.530 1.00 70.40 N ATOM 81 CA ILE A 5 2.941 1.232 2.100 1.00 32.20 C ATOM 82 C ILE A 5 1.852 0.207 1.788 1.00 32.15 C ATOM 83 O ILE A 5 1.890 -0.918 2.301 1.00 23.41 O ATOM 84 CB ILE A 5 4.358 0.668 1.688 1.00 14.21 C ATOM 85 CG1 ILE A 5 5.498 1.643 2.129 1.00 14.22 C ATOM 86 CG2 ILE A 5 4.418 0.396 0.158 1.00 22.14 C ATOM 87 CD1 ILE A 5 6.911 1.189 1.793 1.00 55.22 C ATOM 0 H ILE A 5 3.037 0.738 4.131 1.00 70.40 H new ATOM 0 HA ILE A 5 2.801 2.149 1.527 1.00 32.20 H new ATOM 0 HB ILE A 5 4.510 -0.279 2.206 1.00 14.21 H new ATOM 0 HG12 ILE A 5 5.325 2.612 1.661 1.00 14.22 H new ATOM 0 HG13 ILE A 5 5.429 1.792 3.207 1.00 14.22 H new ATOM 0 HG21 ILE A 5 5.402 0.008 -0.104 1.00 22.14 H new ATOM 0 HG22 ILE A 5 3.656 -0.335 -0.112 1.00 22.14 H new ATOM 0 HG23 ILE A 5 4.238 1.324 -0.384 1.00 22.14 H new ATOM 0 HD11 ILE A 5 7.625 1.935 2.141 1.00 55.22 H new ATOM 0 HD12 ILE A 5 7.113 0.237 2.283 1.00 55.22 H new ATOM 0 HD13 ILE A 5 7.008 1.070 0.714 1.00 55.22 H new ATOM 99 N LEU A 6 0.873 0.608 0.974 1.00 53.12 N ATOM 100 CA LEU A 6 -0.237 -0.255 0.570 1.00 50.53 C ATOM 101 C LEU A 6 0.161 -1.015 -0.693 1.00 25.23 C ATOM 102 O LEU A 6 0.788 -0.445 -1.596 1.00 45.40 O ATOM 103 CB LEU A 6 -1.516 0.572 0.286 1.00 60.21 C ATOM 104 CG LEU A 6 -2.072 1.465 1.429 1.00 25.54 C ATOM 105 CD1 LEU A 6 -3.338 2.218 0.964 1.00 10.12 C ATOM 106 CD2 LEU A 6 -2.342 0.659 2.708 1.00 41.03 C ATOM 0 H LEU A 6 0.829 1.546 0.575 1.00 53.12 H new ATOM 0 HA LEU A 6 -0.452 -0.948 1.383 1.00 50.53 H new ATOM 0 HB2 LEU A 6 -1.316 1.213 -0.572 1.00 60.21 H new ATOM 0 HB3 LEU A 6 -2.303 -0.121 -0.010 1.00 60.21 H new ATOM 0 HG LEU A 6 -1.306 2.201 1.674 1.00 25.54 H new ATOM 0 HD11 LEU A 6 -3.712 2.838 1.779 1.00 10.12 H new ATOM 0 HD12 LEU A 6 -3.093 2.850 0.110 1.00 10.12 H new ATOM 0 HD13 LEU A 6 -4.104 1.498 0.674 1.00 10.12 H new ATOM 0 HD21 LEU A 6 -2.730 1.322 3.481 1.00 41.03 H new ATOM 0 HD22 LEU A 6 -3.074 -0.121 2.499 1.00 41.03 H new ATOM 0 HD23 LEU A 6 -1.414 0.203 3.053 1.00 41.03 H new ATOM 118 N ILE A 7 -0.202 -2.298 -0.746 1.00 42.24 N ATOM 119 CA ILE A 7 0.072 -3.178 -1.889 1.00 13.22 C ATOM 120 C ILE A 7 -1.232 -3.861 -2.316 1.00 43.21 C ATOM 121 O ILE A 7 -1.831 -4.622 -1.540 1.00 71.35 O ATOM 122 CB ILE A 7 1.169 -4.271 -1.556 1.00 71.23 C ATOM 123 CG1 ILE A 7 2.515 -3.608 -1.125 1.00 52.11 C ATOM 124 CG2 ILE A 7 1.400 -5.238 -2.750 1.00 63.21 C ATOM 125 CD1 ILE A 7 3.197 -2.740 -2.181 1.00 32.22 C ATOM 0 H ILE A 7 -0.701 -2.763 0.012 1.00 42.24 H new ATOM 0 HA ILE A 7 0.466 -2.565 -2.700 1.00 13.22 H new ATOM 0 HB ILE A 7 0.790 -4.857 -0.719 1.00 71.23 H new ATOM 0 HG12 ILE A 7 2.330 -2.995 -0.243 1.00 52.11 H new ATOM 0 HG13 ILE A 7 3.207 -4.396 -0.827 1.00 52.11 H new ATOM 0 HG21 ILE A 7 2.159 -5.973 -2.482 1.00 63.21 H new ATOM 0 HG22 ILE A 7 0.468 -5.750 -2.989 1.00 63.21 H new ATOM 0 HG23 ILE A 7 1.735 -4.671 -3.618 1.00 63.21 H new ATOM 0 HD11 ILE A 7 4.122 -2.331 -1.774 1.00 32.22 H new ATOM 0 HD12 ILE A 7 3.424 -3.345 -3.059 1.00 32.22 H new ATOM 0 HD13 ILE A 7 2.533 -1.924 -2.465 1.00 32.22 H new ATOM 137 N ASN A 8 -1.671 -3.555 -3.535 1.00 3.54 N ATOM 138 CA ASN A 8 -2.784 -4.229 -4.199 1.00 24.33 C ATOM 139 C ASN A 8 -2.267 -4.722 -5.551 1.00 32.44 C ATOM 140 O ASN A 8 -2.125 -3.936 -6.499 1.00 11.32 O ATOM 141 CB ASN A 8 -3.967 -3.239 -4.371 1.00 64.31 C ATOM 142 CG ASN A 8 -5.194 -3.831 -5.072 1.00 23.41 C ATOM 143 OD1 ASN A 8 -5.335 -3.754 -6.293 1.00 23.32 O ATOM 144 ND2 ASN A 8 -6.083 -4.439 -4.305 1.00 43.40 N ATOM 0 H ASN A 8 -1.254 -2.816 -4.101 1.00 3.54 H new ATOM 0 HA ASN A 8 -3.150 -5.072 -3.613 1.00 24.33 H new ATOM 0 HB2 ASN A 8 -4.266 -2.876 -3.388 1.00 64.31 H new ATOM 0 HB3 ASN A 8 -3.622 -2.375 -4.939 1.00 64.31 H new ATOM 0 HD21 ASN A 8 -6.913 -4.860 -4.722 1.00 43.40 H new ATOM 0 HD22 ASN A 8 -5.939 -4.487 -3.296 1.00 43.40 H new ATOM 151 N THR A 9 -1.922 -6.009 -5.619 1.00 24.35 N ATOM 152 CA THR A 9 -1.537 -6.674 -6.866 1.00 2.32 C ATOM 153 C THR A 9 -2.324 -7.975 -7.020 1.00 62.01 C ATOM 154 O THR A 9 -2.525 -8.702 -6.039 1.00 23.55 O ATOM 155 CB THR A 9 0.014 -6.921 -6.977 1.00 43.40 C ATOM 156 OG1 THR A 9 0.317 -7.634 -8.184 1.00 42.42 O ATOM 157 CG2 THR A 9 0.607 -7.681 -5.795 1.00 64.31 C ATOM 0 H THR A 9 -1.902 -6.624 -4.805 1.00 24.35 H new ATOM 0 HA THR A 9 -1.788 -6.004 -7.688 1.00 2.32 H new ATOM 0 HB THR A 9 0.469 -5.930 -6.982 1.00 43.40 H new ATOM 0 HG1 THR A 9 -0.191 -7.248 -8.928 1.00 42.42 H new ATOM 0 HG21 THR A 9 1.679 -7.811 -5.947 1.00 64.31 H new ATOM 0 HG22 THR A 9 0.436 -7.118 -4.878 1.00 64.31 H new ATOM 0 HG23 THR A 9 0.131 -8.658 -5.715 1.00 64.31 H new ATOM 165 N ASN A 10 -2.794 -8.238 -8.252 1.00 5.10 N ATOM 166 CA ASN A 10 -3.480 -9.492 -8.619 1.00 23.41 C ATOM 167 C ASN A 10 -2.446 -10.611 -8.870 1.00 4.31 C ATOM 168 O ASN A 10 -2.788 -11.796 -8.942 1.00 65.01 O ATOM 169 CB ASN A 10 -4.363 -9.257 -9.868 1.00 4.01 C ATOM 170 CG ASN A 10 -5.306 -10.418 -10.211 1.00 34.55 C ATOM 171 OD1 ASN A 10 -5.775 -11.139 -9.324 1.00 63.54 O ATOM 172 ND2 ASN A 10 -5.587 -10.603 -11.494 1.00 13.22 N ATOM 0 H ASN A 10 -2.708 -7.582 -9.028 1.00 5.10 H new ATOM 0 HA ASN A 10 -4.123 -9.808 -7.797 1.00 23.41 H new ATOM 0 HB2 ASN A 10 -4.958 -8.357 -9.712 1.00 4.01 H new ATOM 0 HB3 ASN A 10 -3.716 -9.067 -10.724 1.00 4.01 H new ATOM 0 HD21 ASN A 10 -6.209 -11.361 -11.776 1.00 13.22 H new ATOM 0 HD22 ASN A 10 -5.181 -9.988 -12.199 1.00 13.22 H new ATOM 179 N ASN A 11 -1.174 -10.211 -9.015 1.00 22.34 N ATOM 180 CA ASN A 11 -0.036 -11.130 -9.082 1.00 50.24 C ATOM 181 C ASN A 11 0.220 -11.658 -7.647 1.00 3.31 C ATOM 182 O ASN A 11 0.747 -10.924 -6.799 1.00 53.53 O ATOM 183 CB ASN A 11 1.217 -10.391 -9.634 1.00 65.33 C ATOM 184 CG ASN A 11 1.034 -9.663 -10.977 1.00 10.21 C ATOM 185 OD1 ASN A 11 -0.077 -9.341 -11.403 1.00 74.52 O ATOM 186 ND2 ASN A 11 2.142 -9.347 -11.625 1.00 63.52 N ATOM 0 H ASN A 11 -0.907 -9.229 -9.090 1.00 22.34 H new ATOM 0 HA ASN A 11 -0.247 -11.961 -9.755 1.00 50.24 H new ATOM 0 HB2 ASN A 11 1.542 -9.663 -8.890 1.00 65.33 H new ATOM 0 HB3 ASN A 11 2.023 -11.116 -9.744 1.00 65.33 H new ATOM 0 HD21 ASN A 11 2.090 -8.824 -12.499 1.00 63.52 H new ATOM 0 HD22 ASN A 11 3.049 -9.626 -11.251 1.00 63.52 H new ATOM 193 N ASP A 12 -0.198 -12.913 -7.384 1.00 31.54 N ATOM 194 CA ASP A 12 -0.220 -13.496 -6.021 1.00 54.42 C ATOM 195 C ASP A 12 1.184 -13.573 -5.401 1.00 31.20 C ATOM 196 O ASP A 12 1.405 -13.091 -4.294 1.00 0.23 O ATOM 197 CB ASP A 12 -0.862 -14.907 -6.060 1.00 0.05 C ATOM 198 CG ASP A 12 -0.775 -15.673 -4.719 1.00 61.23 C ATOM 199 OD1 ASP A 12 -1.654 -15.485 -3.854 1.00 2.03 O ATOM 200 OD2 ASP A 12 0.178 -16.460 -4.518 1.00 34.43 O ATOM 0 H ASP A 12 -0.530 -13.552 -8.107 1.00 31.54 H new ATOM 0 HA ASP A 12 -0.818 -12.837 -5.392 1.00 54.42 H new ATOM 0 HB2 ASP A 12 -1.910 -14.811 -6.345 1.00 0.05 H new ATOM 0 HB3 ASP A 12 -0.374 -15.496 -6.836 1.00 0.05 H new ATOM 205 N GLU A 13 2.121 -14.192 -6.122 1.00 14.44 N ATOM 206 CA GLU A 13 3.473 -14.440 -5.602 1.00 2.44 C ATOM 207 C GLU A 13 4.346 -13.177 -5.646 1.00 3.10 C ATOM 208 O GLU A 13 5.379 -13.127 -4.971 1.00 63.11 O ATOM 209 CB GLU A 13 4.139 -15.640 -6.312 1.00 70.41 C ATOM 210 CG GLU A 13 3.358 -16.964 -6.151 1.00 73.43 C ATOM 211 CD GLU A 13 4.195 -18.204 -6.488 1.00 64.05 C ATOM 212 OE1 GLU A 13 4.874 -18.738 -5.576 1.00 14.21 O ATOM 213 OE2 GLU A 13 4.193 -18.650 -7.655 1.00 11.00 O ATOM 0 H GLU A 13 1.970 -14.533 -7.071 1.00 14.44 H new ATOM 0 HA GLU A 13 3.374 -14.708 -4.550 1.00 2.44 H new ATOM 0 HB2 GLU A 13 4.239 -15.414 -7.373 1.00 70.41 H new ATOM 0 HB3 GLU A 13 5.147 -15.772 -5.917 1.00 70.41 H new ATOM 0 HG2 GLU A 13 2.999 -17.044 -5.125 1.00 73.43 H new ATOM 0 HG3 GLU A 13 2.479 -16.941 -6.795 1.00 73.43 H new ATOM 220 N LEU A 14 3.922 -12.158 -6.428 1.00 74.30 N ATOM 221 CA LEU A 14 4.553 -10.823 -6.407 1.00 4.44 C ATOM 222 C LEU A 14 4.420 -10.200 -5.006 1.00 35.12 C ATOM 223 O LEU A 14 5.354 -9.554 -4.530 1.00 72.43 O ATOM 224 CB LEU A 14 3.933 -9.897 -7.478 1.00 54.33 C ATOM 225 CG LEU A 14 4.418 -8.408 -7.512 1.00 55.02 C ATOM 226 CD1 LEU A 14 5.959 -8.290 -7.611 1.00 55.12 C ATOM 227 CD2 LEU A 14 3.717 -7.628 -8.651 1.00 2.32 C ATOM 0 H LEU A 14 3.143 -12.238 -7.082 1.00 74.30 H new ATOM 0 HA LEU A 14 5.611 -10.939 -6.642 1.00 4.44 H new ATOM 0 HB2 LEU A 14 4.127 -10.337 -8.456 1.00 54.33 H new ATOM 0 HB3 LEU A 14 2.852 -9.896 -7.337 1.00 54.33 H new ATOM 0 HG LEU A 14 4.134 -7.955 -6.562 1.00 55.02 H new ATOM 0 HD11 LEU A 14 6.243 -7.238 -7.631 1.00 55.12 H new ATOM 0 HD12 LEU A 14 6.417 -8.773 -6.748 1.00 55.12 H new ATOM 0 HD13 LEU A 14 6.303 -8.776 -8.524 1.00 55.12 H new ATOM 0 HD21 LEU A 14 4.069 -6.596 -8.656 1.00 2.32 H new ATOM 0 HD22 LEU A 14 3.949 -8.095 -9.608 1.00 2.32 H new ATOM 0 HD23 LEU A 14 2.639 -7.643 -8.492 1.00 2.32 H new ATOM 239 N ILE A 15 3.257 -10.439 -4.359 1.00 63.42 N ATOM 240 CA ILE A 15 3.015 -10.062 -2.953 1.00 74.25 C ATOM 241 C ILE A 15 4.150 -10.600 -2.055 1.00 4.24 C ATOM 242 O ILE A 15 4.779 -9.831 -1.333 1.00 71.52 O ATOM 243 CB ILE A 15 1.631 -10.614 -2.434 1.00 45.14 C ATOM 244 CG1 ILE A 15 0.448 -10.001 -3.248 1.00 44.12 C ATOM 245 CG2 ILE A 15 1.454 -10.384 -0.918 1.00 73.54 C ATOM 246 CD1 ILE A 15 -0.924 -10.563 -2.931 1.00 62.21 C ATOM 0 H ILE A 15 2.461 -10.899 -4.800 1.00 63.42 H new ATOM 0 HA ILE A 15 2.990 -8.973 -2.905 1.00 74.25 H new ATOM 0 HB ILE A 15 1.625 -11.692 -2.594 1.00 45.14 H new ATOM 0 HG12 ILE A 15 0.430 -8.925 -3.074 1.00 44.12 H new ATOM 0 HG13 ILE A 15 0.645 -10.149 -4.310 1.00 44.12 H new ATOM 0 HG21 ILE A 15 0.489 -10.778 -0.600 1.00 73.54 H new ATOM 0 HG22 ILE A 15 2.250 -10.895 -0.377 1.00 73.54 H new ATOM 0 HG23 ILE A 15 1.498 -9.316 -0.704 1.00 73.54 H new ATOM 0 HD11 ILE A 15 -1.672 -10.069 -3.551 1.00 62.21 H new ATOM 0 HD12 ILE A 15 -0.934 -11.634 -3.134 1.00 62.21 H new ATOM 0 HD13 ILE A 15 -1.154 -10.391 -1.879 1.00 62.21 H new ATOM 258 N LYS A 16 4.424 -11.914 -2.179 1.00 13.34 N ATOM 259 CA LYS A 16 5.467 -12.629 -1.400 1.00 14.44 C ATOM 260 C LYS A 16 6.861 -11.981 -1.583 1.00 50.51 C ATOM 261 O LYS A 16 7.623 -11.833 -0.621 1.00 23.24 O ATOM 262 CB LYS A 16 5.522 -14.115 -1.841 1.00 43.14 C ATOM 263 CG LYS A 16 4.221 -14.916 -1.595 1.00 33.43 C ATOM 264 CD LYS A 16 4.227 -16.296 -2.305 1.00 32.14 C ATOM 265 CE LYS A 16 5.431 -17.175 -1.918 1.00 42.11 C ATOM 266 NZ LYS A 16 5.464 -18.452 -2.689 1.00 72.00 N ATOM 0 H LYS A 16 3.924 -12.520 -2.829 1.00 13.34 H new ATOM 0 HA LYS A 16 5.201 -12.563 -0.345 1.00 14.44 H new ATOM 0 HB2 LYS A 16 5.761 -14.155 -2.904 1.00 43.14 H new ATOM 0 HB3 LYS A 16 6.339 -14.606 -1.312 1.00 43.14 H new ATOM 0 HG2 LYS A 16 4.086 -15.063 -0.523 1.00 33.43 H new ATOM 0 HG3 LYS A 16 3.369 -14.334 -1.946 1.00 33.43 H new ATOM 0 HD2 LYS A 16 3.306 -16.826 -2.062 1.00 32.14 H new ATOM 0 HD3 LYS A 16 4.231 -16.142 -3.384 1.00 32.14 H new ATOM 0 HE2 LYS A 16 6.354 -16.622 -2.093 1.00 42.11 H new ATOM 0 HE3 LYS A 16 5.390 -17.397 -0.852 1.00 42.11 H new ATOM 0 HZ1 LYS A 16 6.417 -18.866 -2.635 1.00 72.00 H new ATOM 0 HZ2 LYS A 16 4.774 -19.118 -2.287 1.00 72.00 H new ATOM 0 HZ3 LYS A 16 5.225 -18.263 -3.683 1.00 72.00 H new ATOM 280 N LYS A 17 7.153 -11.596 -2.831 1.00 50.23 N ATOM 281 CA LYS A 17 8.431 -10.957 -3.217 1.00 74.44 C ATOM 282 C LYS A 17 8.569 -9.550 -2.594 1.00 40.33 C ATOM 283 O LYS A 17 9.652 -9.171 -2.140 1.00 13.35 O ATOM 284 CB LYS A 17 8.508 -10.886 -4.759 1.00 45.02 C ATOM 285 CG LYS A 17 8.470 -12.272 -5.452 1.00 44.22 C ATOM 286 CD LYS A 17 8.224 -12.169 -6.975 1.00 44.50 C ATOM 287 CE LYS A 17 9.311 -11.371 -7.702 1.00 23.11 C ATOM 288 NZ LYS A 17 9.030 -11.245 -9.151 1.00 64.32 N ATOM 0 H LYS A 17 6.509 -11.717 -3.612 1.00 50.23 H new ATOM 0 HA LYS A 17 9.258 -11.556 -2.836 1.00 74.44 H new ATOM 0 HB2 LYS A 17 7.678 -10.283 -5.127 1.00 45.02 H new ATOM 0 HB3 LYS A 17 9.426 -10.373 -5.044 1.00 45.02 H new ATOM 0 HG2 LYS A 17 9.413 -12.789 -5.274 1.00 44.22 H new ATOM 0 HG3 LYS A 17 7.684 -12.878 -5.001 1.00 44.22 H new ATOM 0 HD2 LYS A 17 8.172 -13.172 -7.398 1.00 44.50 H new ATOM 0 HD3 LYS A 17 7.256 -11.699 -7.151 1.00 44.50 H new ATOM 0 HE2 LYS A 17 9.389 -10.378 -7.260 1.00 23.11 H new ATOM 0 HE3 LYS A 17 10.275 -11.859 -7.561 1.00 23.11 H new ATOM 0 HZ1 LYS A 17 9.488 -10.388 -9.520 1.00 64.32 H new ATOM 0 HZ2 LYS A 17 9.401 -12.078 -9.650 1.00 64.32 H new ATOM 0 HZ3 LYS A 17 8.003 -11.181 -9.301 1.00 64.32 H new ATOM 302 N ILE A 18 7.449 -8.805 -2.572 1.00 43.51 N ATOM 303 CA ILE A 18 7.371 -7.449 -1.989 1.00 70.04 C ATOM 304 C ILE A 18 7.480 -7.521 -0.450 1.00 52.44 C ATOM 305 O ILE A 18 8.079 -6.639 0.183 1.00 42.01 O ATOM 306 CB ILE A 18 6.031 -6.735 -2.425 1.00 22.14 C ATOM 307 CG1 ILE A 18 6.013 -6.521 -3.976 1.00 1.14 C ATOM 308 CG2 ILE A 18 5.815 -5.398 -1.676 1.00 44.03 C ATOM 309 CD1 ILE A 18 4.731 -5.924 -4.528 1.00 0.22 C ATOM 0 H ILE A 18 6.563 -9.128 -2.961 1.00 43.51 H new ATOM 0 HA ILE A 18 8.207 -6.859 -2.365 1.00 70.04 H new ATOM 0 HB ILE A 18 5.202 -7.387 -2.151 1.00 22.14 H new ATOM 0 HG12 ILE A 18 6.845 -5.871 -4.247 1.00 1.14 H new ATOM 0 HG13 ILE A 18 6.187 -7.481 -4.462 1.00 1.14 H new ATOM 0 HG21 ILE A 18 4.882 -4.942 -2.007 1.00 44.03 H new ATOM 0 HG22 ILE A 18 5.766 -5.586 -0.603 1.00 44.03 H new ATOM 0 HG23 ILE A 18 6.644 -4.723 -1.889 1.00 44.03 H new ATOM 0 HD11 ILE A 18 4.817 -5.815 -5.609 1.00 0.22 H new ATOM 0 HD12 ILE A 18 3.894 -6.582 -4.295 1.00 0.22 H new ATOM 0 HD13 ILE A 18 4.561 -4.946 -4.077 1.00 0.22 H new ATOM 321 N LYS A 19 6.919 -8.594 0.132 1.00 22.13 N ATOM 322 CA LYS A 19 6.995 -8.857 1.579 1.00 10.03 C ATOM 323 C LYS A 19 8.455 -9.073 1.987 1.00 20.25 C ATOM 324 O LYS A 19 8.952 -8.391 2.871 1.00 25.21 O ATOM 325 CB LYS A 19 6.119 -10.076 1.971 1.00 64.12 C ATOM 326 CG LYS A 19 4.606 -9.839 1.773 1.00 22.42 C ATOM 327 CD LYS A 19 3.751 -11.109 1.974 1.00 43.25 C ATOM 328 CE LYS A 19 3.832 -11.684 3.394 1.00 53.32 C ATOM 329 NZ LYS A 19 2.952 -12.868 3.557 1.00 53.22 N ATOM 0 H LYS A 19 6.401 -9.303 -0.387 1.00 22.13 H new ATOM 0 HA LYS A 19 6.605 -7.992 2.115 1.00 10.03 H new ATOM 0 HB2 LYS A 19 6.424 -10.938 1.377 1.00 64.12 H new ATOM 0 HB3 LYS A 19 6.306 -10.326 3.015 1.00 64.12 H new ATOM 0 HG2 LYS A 19 4.272 -9.072 2.472 1.00 22.42 H new ATOM 0 HG3 LYS A 19 4.436 -9.451 0.769 1.00 22.42 H new ATOM 0 HD2 LYS A 19 2.711 -10.877 1.743 1.00 43.25 H new ATOM 0 HD3 LYS A 19 4.073 -11.870 1.264 1.00 43.25 H new ATOM 0 HE2 LYS A 19 4.862 -11.963 3.616 1.00 53.32 H new ATOM 0 HE3 LYS A 19 3.547 -10.917 4.114 1.00 53.32 H new ATOM 0 HZ1 LYS A 19 3.033 -13.230 4.529 1.00 53.22 H new ATOM 0 HZ2 LYS A 19 1.966 -12.596 3.370 1.00 53.22 H new ATOM 0 HZ3 LYS A 19 3.240 -13.609 2.887 1.00 53.22 H new ATOM 343 N LYS A 20 9.151 -9.980 1.280 1.00 32.14 N ATOM 344 CA LYS A 20 10.579 -10.269 1.532 1.00 45.02 C ATOM 345 C LYS A 20 11.459 -9.030 1.280 1.00 33.53 C ATOM 346 O LYS A 20 12.459 -8.831 1.981 1.00 21.53 O ATOM 347 CB LYS A 20 11.056 -11.487 0.683 1.00 4.24 C ATOM 348 CG LYS A 20 10.643 -12.857 1.271 1.00 54.31 C ATOM 349 CD LYS A 20 11.338 -13.142 2.630 1.00 63.00 C ATOM 350 CE LYS A 20 10.794 -14.387 3.343 1.00 54.54 C ATOM 351 NZ LYS A 20 9.372 -14.225 3.728 1.00 60.22 N ATOM 0 H LYS A 20 8.746 -10.531 0.523 1.00 32.14 H new ATOM 0 HA LYS A 20 10.685 -10.531 2.585 1.00 45.02 H new ATOM 0 HB2 LYS A 20 10.650 -11.397 -0.325 1.00 4.24 H new ATOM 0 HB3 LYS A 20 12.142 -11.453 0.593 1.00 4.24 H new ATOM 0 HG2 LYS A 20 9.562 -12.883 1.405 1.00 54.31 H new ATOM 0 HG3 LYS A 20 10.895 -13.646 0.563 1.00 54.31 H new ATOM 0 HD2 LYS A 20 12.408 -13.266 2.464 1.00 63.00 H new ATOM 0 HD3 LYS A 20 11.215 -12.277 3.281 1.00 63.00 H new ATOM 0 HE2 LYS A 20 10.897 -15.254 2.690 1.00 54.54 H new ATOM 0 HE3 LYS A 20 11.391 -14.586 4.233 1.00 54.54 H new ATOM 0 HZ1 LYS A 20 9.167 -14.819 4.556 1.00 60.22 H new ATOM 0 HZ2 LYS A 20 9.187 -13.229 3.962 1.00 60.22 H new ATOM 0 HZ3 LYS A 20 8.763 -14.513 2.936 1.00 60.22 H new ATOM 365 N GLU A 21 11.050 -8.200 0.308 1.00 31.24 N ATOM 366 CA GLU A 21 11.753 -6.960 -0.049 1.00 23.32 C ATOM 367 C GLU A 21 11.769 -5.966 1.130 1.00 32.02 C ATOM 368 O GLU A 21 12.813 -5.386 1.462 1.00 40.12 O ATOM 369 CB GLU A 21 11.088 -6.310 -1.287 1.00 72.23 C ATOM 370 CG GLU A 21 11.837 -5.099 -1.861 1.00 32.52 C ATOM 371 CD GLU A 21 13.246 -5.466 -2.351 1.00 53.05 C ATOM 372 OE1 GLU A 21 13.385 -5.897 -3.518 1.00 33.35 O ATOM 373 OE2 GLU A 21 14.225 -5.341 -1.580 1.00 3.44 O ATOM 0 H GLU A 21 10.217 -8.372 -0.255 1.00 31.24 H new ATOM 0 HA GLU A 21 12.786 -7.214 -0.288 1.00 23.32 H new ATOM 0 HB2 GLU A 21 10.993 -7.064 -2.068 1.00 72.23 H new ATOM 0 HB3 GLU A 21 10.078 -6.000 -1.018 1.00 72.23 H new ATOM 0 HG2 GLU A 21 11.265 -4.679 -2.688 1.00 32.52 H new ATOM 0 HG3 GLU A 21 11.910 -4.324 -1.098 1.00 32.52 H new ATOM 380 N VAL A 22 10.599 -5.787 1.763 1.00 23.14 N ATOM 381 CA VAL A 22 10.444 -4.841 2.885 1.00 25.43 C ATOM 382 C VAL A 22 10.940 -5.459 4.214 1.00 41.41 C ATOM 383 O VAL A 22 11.337 -4.725 5.130 1.00 12.04 O ATOM 384 CB VAL A 22 8.967 -4.337 3.012 1.00 44.54 C ATOM 385 CG1 VAL A 22 8.494 -3.663 1.707 1.00 73.41 C ATOM 386 CG2 VAL A 22 8.015 -5.468 3.450 1.00 52.52 C ATOM 0 H VAL A 22 9.743 -6.285 1.518 1.00 23.14 H new ATOM 0 HA VAL A 22 11.068 -3.974 2.668 1.00 25.43 H new ATOM 0 HB VAL A 22 8.943 -3.581 3.797 1.00 44.54 H new ATOM 0 HG11 VAL A 22 7.465 -3.323 1.825 1.00 73.41 H new ATOM 0 HG12 VAL A 22 9.135 -2.810 1.485 1.00 73.41 H new ATOM 0 HG13 VAL A 22 8.548 -4.379 0.887 1.00 73.41 H new ATOM 0 HG21 VAL A 22 7.000 -5.079 3.527 1.00 52.52 H new ATOM 0 HG22 VAL A 22 8.041 -6.271 2.714 1.00 52.52 H new ATOM 0 HG23 VAL A 22 8.330 -5.854 4.419 1.00 52.52 H new ATOM 396 N GLU A 23 10.930 -6.813 4.298 1.00 23.23 N ATOM 397 CA GLU A 23 11.479 -7.564 5.457 1.00 11.45 C ATOM 398 C GLU A 23 12.993 -7.325 5.591 1.00 63.30 C ATOM 399 O GLU A 23 13.534 -7.364 6.701 1.00 43.03 O ATOM 400 CB GLU A 23 11.179 -9.094 5.346 1.00 65.43 C ATOM 401 CG GLU A 23 9.712 -9.491 5.624 1.00 15.34 C ATOM 402 CD GLU A 23 9.438 -10.995 5.421 1.00 3.22 C ATOM 403 OE1 GLU A 23 9.867 -11.807 6.272 1.00 30.23 O ATOM 404 OE2 GLU A 23 8.819 -11.379 4.405 1.00 30.35 O ATOM 0 H GLU A 23 10.544 -7.413 3.569 1.00 23.23 H new ATOM 0 HA GLU A 23 10.983 -7.191 6.353 1.00 11.45 H new ATOM 0 HB2 GLU A 23 11.448 -9.430 4.345 1.00 65.43 H new ATOM 0 HB3 GLU A 23 11.823 -9.627 6.045 1.00 65.43 H new ATOM 0 HG2 GLU A 23 9.457 -9.217 6.648 1.00 15.34 H new ATOM 0 HG3 GLU A 23 9.057 -8.918 4.968 1.00 15.34 H new ATOM 411 N ASN A 24 13.656 -7.061 4.445 1.00 44.30 N ATOM 412 CA ASN A 24 15.089 -6.680 4.383 1.00 13.45 C ATOM 413 C ASN A 24 15.401 -5.434 5.239 1.00 73.31 C ATOM 414 O ASN A 24 16.520 -5.279 5.726 1.00 60.55 O ATOM 415 CB ASN A 24 15.519 -6.422 2.909 1.00 70.00 C ATOM 416 CG ASN A 24 15.390 -7.654 2.009 1.00 14.43 C ATOM 417 OD1 ASN A 24 15.583 -8.788 2.452 1.00 63.43 O ATOM 418 ND2 ASN A 24 15.051 -7.445 0.745 1.00 3.25 N ATOM 0 H ASN A 24 13.211 -7.106 3.528 1.00 44.30 H new ATOM 0 HA ASN A 24 15.657 -7.515 4.792 1.00 13.45 H new ATOM 0 HB2 ASN A 24 14.911 -5.616 2.498 1.00 70.00 H new ATOM 0 HB3 ASN A 24 16.554 -6.079 2.896 1.00 70.00 H new ATOM 0 HD21 ASN A 24 14.943 -8.235 0.109 1.00 3.25 H new ATOM 0 HD22 ASN A 24 14.898 -6.494 0.408 1.00 3.25 H new ATOM 425 N GLN A 25 14.403 -4.545 5.399 1.00 13.32 N ATOM 426 CA GLN A 25 14.529 -3.307 6.206 1.00 22.02 C ATOM 427 C GLN A 25 13.637 -3.355 7.461 1.00 0.51 C ATOM 428 O GLN A 25 13.402 -2.322 8.092 1.00 20.51 O ATOM 429 CB GLN A 25 14.195 -2.072 5.329 1.00 32.24 C ATOM 430 CG GLN A 25 15.157 -1.848 4.136 1.00 54.13 C ATOM 431 CD GLN A 25 16.580 -1.465 4.559 1.00 3.12 C ATOM 432 OE1 GLN A 25 16.908 -0.285 4.677 1.00 74.41 O ATOM 433 NE2 GLN A 25 17.427 -2.454 4.787 1.00 15.01 N ATOM 0 H GLN A 25 13.483 -4.661 4.973 1.00 13.32 H new ATOM 0 HA GLN A 25 15.560 -3.225 6.552 1.00 22.02 H new ATOM 0 HB2 GLN A 25 13.180 -2.179 4.945 1.00 32.24 H new ATOM 0 HB3 GLN A 25 14.205 -1.182 5.959 1.00 32.24 H new ATOM 0 HG2 GLN A 25 15.197 -2.758 3.537 1.00 54.13 H new ATOM 0 HG3 GLN A 25 14.753 -1.063 3.497 1.00 54.13 H new ATOM 0 HE21 GLN A 25 17.122 -3.421 4.680 1.00 15.01 H new ATOM 0 HE22 GLN A 25 18.385 -2.250 5.070 1.00 15.01 H new ATOM 442 N GLY A 26 13.162 -4.565 7.814 1.00 23.50 N ATOM 443 CA GLY A 26 12.424 -4.792 9.062 1.00 50.11 C ATOM 444 C GLY A 26 11.048 -4.138 9.098 1.00 72.14 C ATOM 445 O GLY A 26 10.647 -3.587 10.130 1.00 12.33 O ATOM 0 H GLY A 26 13.280 -5.403 7.245 1.00 23.50 H new ATOM 0 HA2 GLY A 26 12.309 -5.865 9.213 1.00 50.11 H new ATOM 0 HA3 GLY A 26 13.016 -4.414 9.896 1.00 50.11 H new ATOM 449 N TYR A 27 10.342 -4.145 7.957 1.00 12.53 N ATOM 450 CA TYR A 27 8.927 -3.723 7.892 1.00 72.33 C ATOM 451 C TYR A 27 8.022 -4.843 8.433 1.00 22.42 C ATOM 452 O TYR A 27 8.278 -6.033 8.196 1.00 20.32 O ATOM 453 CB TYR A 27 8.502 -3.373 6.446 1.00 4.04 C ATOM 454 CG TYR A 27 8.961 -2.005 5.915 1.00 54.15 C ATOM 455 CD1 TYR A 27 10.311 -1.639 5.881 1.00 5.33 C ATOM 456 CD2 TYR A 27 8.030 -1.082 5.420 1.00 14.34 C ATOM 457 CE1 TYR A 27 10.707 -0.411 5.385 1.00 74.10 C ATOM 458 CE2 TYR A 27 8.424 0.142 4.926 1.00 63.24 C ATOM 459 CZ TYR A 27 9.759 0.478 4.909 1.00 12.55 C ATOM 460 OH TYR A 27 10.148 1.705 4.417 1.00 73.32 O ATOM 0 H TYR A 27 10.727 -4.440 7.060 1.00 12.53 H new ATOM 0 HA TYR A 27 8.820 -2.828 8.505 1.00 72.33 H new ATOM 0 HB2 TYR A 27 8.886 -4.145 5.780 1.00 4.04 H new ATOM 0 HB3 TYR A 27 7.414 -3.415 6.389 1.00 4.04 H new ATOM 0 HD1 TYR A 27 11.057 -2.328 6.249 1.00 5.33 H new ATOM 0 HD2 TYR A 27 6.980 -1.336 5.426 1.00 14.34 H new ATOM 0 HE1 TYR A 27 11.754 -0.146 5.369 1.00 74.10 H new ATOM 0 HE2 TYR A 27 7.687 0.837 4.553 1.00 63.24 H new ATOM 0 HH TYR A 27 9.358 2.205 4.123 1.00 73.32 H new ATOM 470 N GLN A 28 6.981 -4.441 9.169 1.00 54.04 N ATOM 471 CA GLN A 28 5.930 -5.340 9.645 1.00 51.15 C ATOM 472 C GLN A 28 4.847 -5.439 8.558 1.00 2.11 C ATOM 473 O GLN A 28 4.177 -4.445 8.259 1.00 5.51 O ATOM 474 CB GLN A 28 5.340 -4.777 10.969 1.00 64.43 C ATOM 475 CG GLN A 28 4.310 -5.691 11.666 1.00 20.13 C ATOM 476 CD GLN A 28 3.760 -5.128 12.988 1.00 33.42 C ATOM 477 OE1 GLN A 28 2.619 -5.396 13.351 1.00 1.45 O ATOM 478 NE2 GLN A 28 4.567 -4.374 13.731 1.00 4.41 N ATOM 0 H GLN A 28 6.845 -3.471 9.453 1.00 54.04 H new ATOM 0 HA GLN A 28 6.328 -6.335 9.842 1.00 51.15 H new ATOM 0 HB2 GLN A 28 6.160 -4.585 11.661 1.00 64.43 H new ATOM 0 HB3 GLN A 28 4.868 -3.817 10.759 1.00 64.43 H new ATOM 0 HG2 GLN A 28 3.478 -5.867 10.985 1.00 20.13 H new ATOM 0 HG3 GLN A 28 4.773 -6.659 11.861 1.00 20.13 H new ATOM 0 HE21 GLN A 28 5.511 -4.165 13.407 1.00 4.41 H new ATOM 0 HE22 GLN A 28 4.241 -4.005 14.624 1.00 4.41 H new ATOM 487 N VAL A 29 4.695 -6.629 7.959 1.00 5.34 N ATOM 488 CA VAL A 29 3.677 -6.878 6.926 1.00 65.42 C ATOM 489 C VAL A 29 2.352 -7.279 7.594 1.00 72.40 C ATOM 490 O VAL A 29 2.347 -8.009 8.596 1.00 52.12 O ATOM 491 CB VAL A 29 4.120 -7.996 5.905 1.00 61.01 C ATOM 492 CG1 VAL A 29 3.077 -8.158 4.768 1.00 13.03 C ATOM 493 CG2 VAL A 29 5.531 -7.706 5.335 1.00 33.20 C ATOM 0 H VAL A 29 5.271 -7.443 8.175 1.00 5.34 H new ATOM 0 HA VAL A 29 3.549 -5.954 6.361 1.00 65.42 H new ATOM 0 HB VAL A 29 4.170 -8.941 6.446 1.00 61.01 H new ATOM 0 HG11 VAL A 29 3.408 -8.935 4.079 1.00 13.03 H new ATOM 0 HG12 VAL A 29 2.114 -8.438 5.195 1.00 13.03 H new ATOM 0 HG13 VAL A 29 2.976 -7.215 4.230 1.00 13.03 H new ATOM 0 HG21 VAL A 29 5.809 -8.493 4.634 1.00 33.20 H new ATOM 0 HG22 VAL A 29 5.525 -6.746 4.818 1.00 33.20 H new ATOM 0 HG23 VAL A 29 6.253 -7.674 6.151 1.00 33.20 H new ATOM 503 N ARG A 30 1.236 -6.780 7.052 1.00 0.24 N ATOM 504 CA ARG A 30 -0.111 -7.171 7.461 1.00 13.41 C ATOM 505 C ARG A 30 -0.845 -7.767 6.252 1.00 4.32 C ATOM 506 O ARG A 30 -0.726 -7.253 5.138 1.00 12.12 O ATOM 507 CB ARG A 30 -0.901 -5.950 8.005 1.00 4.13 C ATOM 508 CG ARG A 30 -2.224 -6.335 8.690 1.00 44.03 C ATOM 509 CD ARG A 30 -1.996 -7.108 10.003 1.00 34.23 C ATOM 510 NE ARG A 30 -1.545 -6.209 11.076 1.00 75.52 N ATOM 511 CZ ARG A 30 -0.321 -6.132 11.622 1.00 70.23 C ATOM 512 NH1 ARG A 30 0.690 -6.900 11.211 1.00 72.23 N ATOM 513 NH2 ARG A 30 -0.129 -5.288 12.625 1.00 55.40 N ATOM 0 H ARG A 30 1.247 -6.084 6.307 1.00 0.24 H new ATOM 0 HA ARG A 30 -0.039 -7.911 8.258 1.00 13.41 H new ATOM 0 HB2 ARG A 30 -0.276 -5.410 8.716 1.00 4.13 H new ATOM 0 HB3 ARG A 30 -1.112 -5.267 7.182 1.00 4.13 H new ATOM 0 HG2 ARG A 30 -2.800 -5.433 8.897 1.00 44.03 H new ATOM 0 HG3 ARG A 30 -2.819 -6.945 8.010 1.00 44.03 H new ATOM 0 HD2 ARG A 30 -2.920 -7.602 10.303 1.00 34.23 H new ATOM 0 HD3 ARG A 30 -1.254 -7.890 9.844 1.00 34.23 H new ATOM 0 HE ARG A 30 -2.245 -5.568 11.450 1.00 75.52 H new ATOM 0 HH11 ARG A 30 0.546 -7.573 10.458 1.00 72.23 H new ATOM 0 HH12 ARG A 30 1.607 -6.814 11.649 1.00 72.23 H new ATOM 0 HH21 ARG A 30 -0.902 -4.716 12.965 1.00 55.40 H new ATOM 0 HH22 ARG A 30 0.792 -5.211 13.057 1.00 55.40 H new ATOM 527 N ASP A 31 -1.588 -8.850 6.481 1.00 14.52 N ATOM 528 CA ASP A 31 -2.442 -9.474 5.470 1.00 60.30 C ATOM 529 C ASP A 31 -3.902 -9.120 5.801 1.00 51.24 C ATOM 530 O ASP A 31 -4.416 -9.541 6.843 1.00 41.54 O ATOM 531 CB ASP A 31 -2.213 -11.010 5.493 1.00 11.30 C ATOM 532 CG ASP A 31 -2.758 -11.732 4.251 1.00 11.41 C ATOM 533 OD1 ASP A 31 -3.987 -11.846 4.101 1.00 11.42 O ATOM 534 OD2 ASP A 31 -1.952 -12.179 3.401 1.00 34.31 O ATOM 0 H ASP A 31 -1.614 -9.324 7.384 1.00 14.52 H new ATOM 0 HA ASP A 31 -2.205 -9.113 4.469 1.00 60.30 H new ATOM 0 HB2 ASP A 31 -1.145 -11.208 5.579 1.00 11.30 H new ATOM 0 HB3 ASP A 31 -2.687 -11.426 6.382 1.00 11.30 H new ATOM 539 N VAL A 32 -4.543 -8.306 4.952 1.00 41.12 N ATOM 540 CA VAL A 32 -5.951 -7.904 5.117 1.00 50.42 C ATOM 541 C VAL A 32 -6.804 -8.640 4.075 1.00 0.42 C ATOM 542 O VAL A 32 -6.566 -8.516 2.867 1.00 54.12 O ATOM 543 CB VAL A 32 -6.142 -6.342 4.979 1.00 72.43 C ATOM 544 CG1 VAL A 32 -7.631 -5.928 5.118 1.00 34.02 C ATOM 545 CG2 VAL A 32 -5.248 -5.582 5.988 1.00 40.24 C ATOM 0 H VAL A 32 -4.099 -7.904 4.126 1.00 41.12 H new ATOM 0 HA VAL A 32 -6.270 -8.175 6.123 1.00 50.42 H new ATOM 0 HB VAL A 32 -5.826 -6.062 3.974 1.00 72.43 H new ATOM 0 HG11 VAL A 32 -7.719 -4.846 5.017 1.00 34.02 H new ATOM 0 HG12 VAL A 32 -8.218 -6.414 4.339 1.00 34.02 H new ATOM 0 HG13 VAL A 32 -8.004 -6.233 6.096 1.00 34.02 H new ATOM 0 HG21 VAL A 32 -5.399 -4.509 5.872 1.00 40.24 H new ATOM 0 HG22 VAL A 32 -5.513 -5.878 7.003 1.00 40.24 H new ATOM 0 HG23 VAL A 32 -4.202 -5.824 5.801 1.00 40.24 H new ATOM 555 N ASN A 33 -7.775 -9.422 4.566 1.00 51.34 N ATOM 556 CA ASN A 33 -8.673 -10.232 3.730 1.00 70.00 C ATOM 557 C ASN A 33 -10.080 -9.625 3.737 1.00 51.14 C ATOM 558 O ASN A 33 -10.603 -9.222 2.696 1.00 43.33 O ATOM 559 CB ASN A 33 -8.724 -11.698 4.243 1.00 1.22 C ATOM 560 CG ASN A 33 -7.335 -12.310 4.433 1.00 55.24 C ATOM 561 OD1 ASN A 33 -6.794 -12.307 5.538 1.00 15.14 O ATOM 562 ND2 ASN A 33 -6.722 -12.778 3.356 1.00 3.44 N ATOM 0 H ASN A 33 -7.961 -9.511 5.565 1.00 51.34 H new ATOM 0 HA ASN A 33 -8.289 -10.236 2.710 1.00 70.00 H new ATOM 0 HB2 ASN A 33 -9.261 -11.728 5.191 1.00 1.22 H new ATOM 0 HB3 ASN A 33 -9.290 -12.305 3.537 1.00 1.22 H new ATOM 0 HD21 ASN A 33 -5.775 -13.149 3.429 1.00 3.44 H new ATOM 0 HD22 ASN A 33 -7.197 -12.767 2.453 1.00 3.44 H new ATOM 569 N ASP A 34 -10.659 -9.548 4.943 1.00 71.31 N ATOM 570 CA ASP A 34 -12.051 -9.120 5.171 1.00 3.41 C ATOM 571 C ASP A 34 -12.138 -7.619 5.485 1.00 24.52 C ATOM 572 O ASP A 34 -11.122 -6.967 5.759 1.00 3.23 O ATOM 573 CB ASP A 34 -12.643 -9.929 6.358 1.00 24.41 C ATOM 574 CG ASP A 34 -12.727 -11.436 6.077 1.00 41.21 C ATOM 575 OD1 ASP A 34 -11.727 -12.153 6.312 1.00 62.12 O ATOM 576 OD2 ASP A 34 -13.776 -11.903 5.586 1.00 51.24 O ATOM 0 H ASP A 34 -10.167 -9.785 5.804 1.00 71.31 H new ATOM 0 HA ASP A 34 -12.619 -9.306 4.259 1.00 3.41 H new ATOM 0 HB2 ASP A 34 -12.030 -9.764 7.244 1.00 24.41 H new ATOM 0 HB3 ASP A 34 -13.640 -9.552 6.586 1.00 24.41 H new ATOM 581 N SER A 35 -13.383 -7.097 5.452 1.00 43.35 N ATOM 582 CA SER A 35 -13.720 -5.757 5.978 1.00 53.32 C ATOM 583 C SER A 35 -13.549 -5.729 7.507 1.00 63.31 C ATOM 584 O SER A 35 -13.219 -4.687 8.087 1.00 44.33 O ATOM 585 CB SER A 35 -15.164 -5.367 5.579 1.00 42.42 C ATOM 586 OG SER A 35 -15.328 -5.396 4.171 1.00 43.34 O ATOM 0 H SER A 35 -14.183 -7.593 5.060 1.00 43.35 H new ATOM 0 HA SER A 35 -13.039 -5.027 5.542 1.00 53.32 H new ATOM 0 HB2 SER A 35 -15.872 -6.053 6.045 1.00 42.42 H new ATOM 0 HB3 SER A 35 -15.392 -4.370 5.955 1.00 42.42 H new ATOM 0 HG SER A 35 -16.248 -5.148 3.944 1.00 43.34 H new ATOM 592 N ASP A 36 -13.763 -6.903 8.143 1.00 12.12 N ATOM 593 CA ASP A 36 -13.457 -7.124 9.567 1.00 64.45 C ATOM 594 C ASP A 36 -11.953 -6.924 9.809 1.00 75.33 C ATOM 595 O ASP A 36 -11.567 -6.097 10.633 1.00 31.11 O ATOM 596 CB ASP A 36 -13.902 -8.547 10.017 1.00 24.23 C ATOM 597 CG ASP A 36 -13.660 -8.846 11.518 1.00 25.44 C ATOM 598 OD1 ASP A 36 -14.113 -8.062 12.375 1.00 63.42 O ATOM 599 OD2 ASP A 36 -13.034 -9.874 11.852 1.00 62.30 O ATOM 0 H ASP A 36 -14.154 -7.723 7.679 1.00 12.12 H new ATOM 0 HA ASP A 36 -14.012 -6.399 10.162 1.00 64.45 H new ATOM 0 HB2 ASP A 36 -14.963 -8.668 9.801 1.00 24.23 H new ATOM 0 HB3 ASP A 36 -13.369 -9.287 9.421 1.00 24.23 H new ATOM 604 N GLU A 37 -11.121 -7.640 9.014 1.00 13.13 N ATOM 605 CA GLU A 37 -9.641 -7.550 9.073 1.00 22.41 C ATOM 606 C GLU A 37 -9.140 -6.110 8.860 1.00 33.21 C ATOM 607 O GLU A 37 -8.123 -5.702 9.442 1.00 75.44 O ATOM 608 CB GLU A 37 -8.989 -8.484 8.014 1.00 73.01 C ATOM 609 CG GLU A 37 -9.255 -9.985 8.218 1.00 22.43 C ATOM 610 CD GLU A 37 -8.749 -10.497 9.577 1.00 24.22 C ATOM 611 OE1 GLU A 37 -7.527 -10.728 9.711 1.00 40.12 O ATOM 612 OE2 GLU A 37 -9.557 -10.660 10.513 1.00 52.04 O ATOM 0 H GLU A 37 -11.458 -8.298 8.312 1.00 13.13 H new ATOM 0 HA GLU A 37 -9.347 -7.869 10.073 1.00 22.41 H new ATOM 0 HB2 GLU A 37 -9.351 -8.197 7.027 1.00 73.01 H new ATOM 0 HB3 GLU A 37 -7.912 -8.317 8.019 1.00 73.01 H new ATOM 0 HG2 GLU A 37 -10.325 -10.174 8.138 1.00 22.43 H new ATOM 0 HG3 GLU A 37 -8.772 -10.548 7.419 1.00 22.43 H new ATOM 619 N LEU A 38 -9.873 -5.365 8.014 1.00 54.11 N ATOM 620 CA LEU A 38 -9.578 -3.961 7.723 1.00 5.31 C ATOM 621 C LEU A 38 -9.699 -3.106 8.999 1.00 4.02 C ATOM 622 O LEU A 38 -8.700 -2.544 9.470 1.00 73.23 O ATOM 623 CB LEU A 38 -10.529 -3.418 6.620 1.00 11.13 C ATOM 624 CG LEU A 38 -10.288 -1.936 6.193 1.00 30.44 C ATOM 625 CD1 LEU A 38 -8.903 -1.754 5.551 1.00 31.41 C ATOM 626 CD2 LEU A 38 -11.420 -1.419 5.279 1.00 61.50 C ATOM 0 H LEU A 38 -10.687 -5.725 7.515 1.00 54.11 H new ATOM 0 HA LEU A 38 -8.553 -3.898 7.358 1.00 5.31 H new ATOM 0 HB2 LEU A 38 -10.433 -4.052 5.738 1.00 11.13 H new ATOM 0 HB3 LEU A 38 -11.556 -3.514 6.971 1.00 11.13 H new ATOM 0 HG LEU A 38 -10.304 -1.327 7.097 1.00 30.44 H new ATOM 0 HD11 LEU A 38 -8.769 -0.711 5.266 1.00 31.41 H new ATOM 0 HD12 LEU A 38 -8.131 -2.037 6.266 1.00 31.41 H new ATOM 0 HD13 LEU A 38 -8.827 -2.385 4.666 1.00 31.41 H new ATOM 0 HD21 LEU A 38 -11.219 -0.384 5.001 1.00 61.50 H new ATOM 0 HD22 LEU A 38 -11.471 -2.033 4.380 1.00 61.50 H new ATOM 0 HD23 LEU A 38 -12.370 -1.474 5.810 1.00 61.50 H new ATOM 638 N LYS A 39 -10.919 -3.070 9.579 1.00 43.10 N ATOM 639 CA LYS A 39 -11.234 -2.159 10.699 1.00 30.41 C ATOM 640 C LYS A 39 -10.540 -2.561 12.014 1.00 10.55 C ATOM 641 O LYS A 39 -10.264 -1.688 12.845 1.00 13.52 O ATOM 642 CB LYS A 39 -12.769 -1.937 10.839 1.00 23.45 C ATOM 643 CG LYS A 39 -13.672 -3.191 10.914 1.00 24.42 C ATOM 644 CD LYS A 39 -13.702 -3.872 12.297 1.00 34.23 C ATOM 645 CE LYS A 39 -14.878 -4.849 12.423 1.00 73.31 C ATOM 646 NZ LYS A 39 -14.818 -5.650 13.669 1.00 14.45 N ATOM 0 H LYS A 39 -11.699 -3.660 9.290 1.00 43.10 H new ATOM 0 HA LYS A 39 -10.808 -1.186 10.453 1.00 30.41 H new ATOM 0 HB2 LYS A 39 -12.942 -1.345 11.738 1.00 23.45 H new ATOM 0 HB3 LYS A 39 -13.100 -1.335 9.992 1.00 23.45 H new ATOM 0 HG2 LYS A 39 -14.688 -2.909 10.639 1.00 24.42 H new ATOM 0 HG3 LYS A 39 -13.331 -3.914 10.174 1.00 24.42 H new ATOM 0 HD2 LYS A 39 -12.766 -4.406 12.460 1.00 34.23 H new ATOM 0 HD3 LYS A 39 -13.775 -3.112 13.075 1.00 34.23 H new ATOM 0 HE2 LYS A 39 -15.814 -4.291 12.398 1.00 73.31 H new ATOM 0 HE3 LYS A 39 -14.883 -5.519 11.564 1.00 73.31 H new ATOM 0 HZ1 LYS A 39 -14.565 -6.632 13.439 1.00 14.45 H new ATOM 0 HZ2 LYS A 39 -14.101 -5.248 14.306 1.00 14.45 H new ATOM 0 HZ3 LYS A 39 -15.746 -5.633 14.138 1.00 14.45 H new ATOM 660 N LYS A 40 -10.209 -3.868 12.171 1.00 24.42 N ATOM 661 CA LYS A 40 -9.385 -4.373 13.303 1.00 20.40 C ATOM 662 C LYS A 40 -8.076 -3.570 13.397 1.00 60.15 C ATOM 663 O LYS A 40 -7.731 -3.002 14.439 1.00 0.33 O ATOM 664 CB LYS A 40 -9.043 -5.881 13.106 1.00 4.45 C ATOM 665 CG LYS A 40 -10.213 -6.870 13.290 1.00 10.41 C ATOM 666 CD LYS A 40 -10.629 -7.052 14.763 1.00 51.21 C ATOM 667 CE LYS A 40 -11.730 -8.111 14.934 1.00 72.33 C ATOM 668 NZ LYS A 40 -11.967 -8.445 16.365 1.00 65.45 N ATOM 0 H LYS A 40 -10.503 -4.598 11.522 1.00 24.42 H new ATOM 0 HA LYS A 40 -9.960 -4.255 14.222 1.00 20.40 H new ATOM 0 HB2 LYS A 40 -8.636 -6.013 12.103 1.00 4.45 H new ATOM 0 HB3 LYS A 40 -8.253 -6.149 13.808 1.00 4.45 H new ATOM 0 HG2 LYS A 40 -11.071 -6.518 12.718 1.00 10.41 H new ATOM 0 HG3 LYS A 40 -9.930 -7.838 12.877 1.00 10.41 H new ATOM 0 HD2 LYS A 40 -9.757 -7.340 15.351 1.00 51.21 H new ATOM 0 HD3 LYS A 40 -10.980 -6.099 15.159 1.00 51.21 H new ATOM 0 HE2 LYS A 40 -12.656 -7.746 14.489 1.00 72.33 H new ATOM 0 HE3 LYS A 40 -11.451 -9.015 14.393 1.00 72.33 H new ATOM 0 HZ1 LYS A 40 -12.717 -9.162 16.434 1.00 65.45 H new ATOM 0 HZ2 LYS A 40 -11.091 -8.818 16.784 1.00 65.45 H new ATOM 0 HZ3 LYS A 40 -12.259 -7.589 16.878 1.00 65.45 H new ATOM 682 N GLU A 41 -7.383 -3.508 12.252 1.00 23.30 N ATOM 683 CA GLU A 41 -6.099 -2.825 12.127 1.00 12.21 C ATOM 684 C GLU A 41 -6.256 -1.325 11.871 1.00 75.10 C ATOM 685 O GLU A 41 -5.296 -0.592 12.016 1.00 33.54 O ATOM 686 CB GLU A 41 -5.224 -3.523 11.061 1.00 53.13 C ATOM 687 CG GLU A 41 -4.938 -5.003 11.409 1.00 40.34 C ATOM 688 CD GLU A 41 -4.362 -5.198 12.836 1.00 2.23 C ATOM 689 OE1 GLU A 41 -3.184 -4.851 13.067 1.00 64.41 O ATOM 690 OE2 GLU A 41 -5.087 -5.674 13.739 1.00 43.33 O ATOM 0 H GLU A 41 -7.704 -3.935 11.383 1.00 23.30 H new ATOM 0 HA GLU A 41 -5.583 -2.901 13.084 1.00 12.21 H new ATOM 0 HB2 GLU A 41 -5.724 -3.470 10.094 1.00 53.13 H new ATOM 0 HB3 GLU A 41 -4.280 -2.987 10.962 1.00 53.13 H new ATOM 0 HG2 GLU A 41 -5.861 -5.576 11.316 1.00 40.34 H new ATOM 0 HG3 GLU A 41 -4.235 -5.411 10.682 1.00 40.34 H new ATOM 697 N MET A 42 -7.460 -0.872 11.471 1.00 53.41 N ATOM 698 CA MET A 42 -7.757 0.580 11.365 1.00 31.32 C ATOM 699 C MET A 42 -7.731 1.258 12.741 1.00 73.15 C ATOM 700 O MET A 42 -7.343 2.430 12.837 1.00 43.43 O ATOM 701 CB MET A 42 -9.098 0.856 10.633 1.00 3.22 C ATOM 702 CG MET A 42 -9.036 0.722 9.095 1.00 32.43 C ATOM 703 SD MET A 42 -8.861 2.306 8.229 1.00 65.31 S ATOM 704 CE MET A 42 -7.393 3.052 8.945 1.00 14.45 C ATOM 0 H MET A 42 -8.239 -1.479 11.217 1.00 53.41 H new ATOM 0 HA MET A 42 -6.965 1.018 10.757 1.00 31.32 H new ATOM 0 HB2 MET A 42 -9.852 0.167 11.014 1.00 3.22 H new ATOM 0 HB3 MET A 42 -9.432 1.863 10.883 1.00 3.22 H new ATOM 0 HG2 MET A 42 -8.197 0.079 8.829 1.00 32.43 H new ATOM 0 HG3 MET A 42 -9.942 0.226 8.746 1.00 32.43 H new ATOM 0 HE1 MET A 42 -7.242 4.042 8.515 1.00 14.45 H new ATOM 0 HE2 MET A 42 -7.519 3.140 10.024 1.00 14.45 H new ATOM 0 HE3 MET A 42 -6.526 2.427 8.731 1.00 14.45 H new ATOM 714 N LYS A 43 -8.146 0.522 13.800 1.00 31.23 N ATOM 715 CA LYS A 43 -7.934 0.962 15.204 1.00 32.04 C ATOM 716 C LYS A 43 -6.429 1.203 15.476 1.00 51.21 C ATOM 717 O LYS A 43 -6.064 2.177 16.142 1.00 41.22 O ATOM 718 CB LYS A 43 -8.518 -0.065 16.237 1.00 53.50 C ATOM 719 CG LYS A 43 -10.014 0.128 16.594 1.00 51.00 C ATOM 720 CD LYS A 43 -10.962 -0.170 15.417 1.00 40.33 C ATOM 721 CE LYS A 43 -12.432 0.126 15.738 1.00 74.31 C ATOM 722 NZ LYS A 43 -12.975 -0.726 16.827 1.00 54.11 N ATOM 0 H LYS A 43 -8.626 -0.373 13.712 1.00 31.23 H new ATOM 0 HA LYS A 43 -8.474 1.900 15.334 1.00 32.04 H new ATOM 0 HB2 LYS A 43 -8.384 -1.071 15.839 1.00 53.50 H new ATOM 0 HB3 LYS A 43 -7.932 -0.005 17.154 1.00 53.50 H new ATOM 0 HG2 LYS A 43 -10.268 -0.523 17.431 1.00 51.00 H new ATOM 0 HG3 LYS A 43 -10.172 1.153 16.929 1.00 51.00 H new ATOM 0 HD2 LYS A 43 -10.658 0.423 14.555 1.00 40.33 H new ATOM 0 HD3 LYS A 43 -10.862 -1.218 15.134 1.00 40.33 H new ATOM 0 HE2 LYS A 43 -12.532 1.174 16.021 1.00 74.31 H new ATOM 0 HE3 LYS A 43 -13.030 -0.020 14.839 1.00 74.31 H new ATOM 0 HZ1 LYS A 43 -13.971 -0.479 16.997 1.00 54.11 H new ATOM 0 HZ2 LYS A 43 -12.909 -1.726 16.551 1.00 54.11 H new ATOM 0 HZ3 LYS A 43 -12.426 -0.570 17.696 1.00 54.11 H new ATOM 736 N LYS A 44 -5.570 0.316 14.933 1.00 70.02 N ATOM 737 CA LYS A 44 -4.102 0.425 15.073 1.00 55.45 C ATOM 738 C LYS A 44 -3.597 1.682 14.342 1.00 40.21 C ATOM 739 O LYS A 44 -2.939 2.531 14.919 1.00 11.11 O ATOM 740 CB LYS A 44 -3.382 -0.828 14.500 1.00 24.20 C ATOM 741 CG LYS A 44 -3.900 -2.175 15.038 1.00 44.13 C ATOM 742 CD LYS A 44 -3.631 -2.399 16.537 1.00 14.53 C ATOM 743 CE LYS A 44 -4.122 -3.779 17.003 1.00 32.13 C ATOM 744 NZ LYS A 44 -3.486 -4.884 16.227 1.00 52.21 N ATOM 0 H LYS A 44 -5.871 -0.492 14.388 1.00 70.02 H new ATOM 0 HA LYS A 44 -3.874 0.497 16.136 1.00 55.45 H new ATOM 0 HB2 LYS A 44 -3.484 -0.823 13.415 1.00 24.20 H new ATOM 0 HB3 LYS A 44 -2.317 -0.750 14.721 1.00 24.20 H new ATOM 0 HG2 LYS A 44 -4.974 -2.237 14.859 1.00 44.13 H new ATOM 0 HG3 LYS A 44 -3.436 -2.983 14.472 1.00 44.13 H new ATOM 0 HD2 LYS A 44 -2.563 -2.308 16.733 1.00 14.53 H new ATOM 0 HD3 LYS A 44 -4.129 -1.621 17.116 1.00 14.53 H new ATOM 0 HE2 LYS A 44 -3.901 -3.905 18.063 1.00 32.13 H new ATOM 0 HE3 LYS A 44 -5.205 -3.835 16.895 1.00 32.13 H new ATOM 0 HZ1 LYS A 44 -3.332 -5.702 16.850 1.00 52.21 H new ATOM 0 HZ2 LYS A 44 -4.109 -5.159 15.441 1.00 52.21 H new ATOM 0 HZ3 LYS A 44 -2.573 -4.561 15.848 1.00 52.21 H new ATOM 758 N LEU A 45 -3.981 1.800 13.063 1.00 24.31 N ATOM 759 CA LEU A 45 -3.496 2.864 12.158 1.00 4.03 C ATOM 760 C LEU A 45 -4.015 4.259 12.577 1.00 64.24 C ATOM 761 O LEU A 45 -3.429 5.279 12.199 1.00 22.24 O ATOM 762 CB LEU A 45 -3.892 2.527 10.690 1.00 4.24 C ATOM 763 CG LEU A 45 -3.423 1.126 10.165 1.00 52.34 C ATOM 764 CD1 LEU A 45 -3.918 0.859 8.726 1.00 23.32 C ATOM 765 CD2 LEU A 45 -1.892 0.945 10.293 1.00 53.03 C ATOM 0 H LEU A 45 -4.640 1.159 12.620 1.00 24.31 H new ATOM 0 HA LEU A 45 -2.409 2.904 12.229 1.00 4.03 H new ATOM 0 HB2 LEU A 45 -4.977 2.582 10.604 1.00 4.24 H new ATOM 0 HB3 LEU A 45 -3.481 3.296 10.036 1.00 4.24 H new ATOM 0 HG LEU A 45 -3.884 0.374 10.805 1.00 52.34 H new ATOM 0 HD11 LEU A 45 -3.572 -0.121 8.398 1.00 23.32 H new ATOM 0 HD12 LEU A 45 -5.007 0.885 8.705 1.00 23.32 H new ATOM 0 HD13 LEU A 45 -3.524 1.625 8.058 1.00 23.32 H new ATOM 0 HD21 LEU A 45 -1.609 -0.039 9.918 1.00 53.03 H new ATOM 0 HD22 LEU A 45 -1.385 1.715 9.711 1.00 53.03 H new ATOM 0 HD23 LEU A 45 -1.602 1.031 11.340 1.00 53.03 H new ATOM 777 N ALA A 46 -5.110 4.289 13.358 1.00 2.12 N ATOM 778 CA ALA A 46 -5.700 5.542 13.867 1.00 61.11 C ATOM 779 C ALA A 46 -5.041 5.993 15.183 1.00 23.41 C ATOM 780 O ALA A 46 -4.587 7.136 15.302 1.00 41.45 O ATOM 781 CB ALA A 46 -7.213 5.368 14.063 1.00 1.13 C ATOM 0 H ALA A 46 -5.609 3.450 13.653 1.00 2.12 H new ATOM 0 HA ALA A 46 -5.517 6.320 13.126 1.00 61.11 H new ATOM 0 HB1 ALA A 46 -7.640 6.298 14.439 1.00 1.13 H new ATOM 0 HB2 ALA A 46 -7.677 5.115 13.110 1.00 1.13 H new ATOM 0 HB3 ALA A 46 -7.397 4.568 14.780 1.00 1.13 H new ATOM 787 N GLU A 47 -4.975 5.065 16.147 1.00 72.43 N ATOM 788 CA GLU A 47 -4.506 5.346 17.515 1.00 24.45 C ATOM 789 C GLU A 47 -2.971 5.350 17.596 1.00 60.24 C ATOM 790 O GLU A 47 -2.372 6.291 18.138 1.00 72.11 O ATOM 791 CB GLU A 47 -5.105 4.311 18.500 1.00 65.33 C ATOM 792 CG GLU A 47 -6.647 4.308 18.549 1.00 72.01 C ATOM 793 CD GLU A 47 -7.205 3.244 19.504 1.00 12.22 C ATOM 794 OE1 GLU A 47 -7.237 3.494 20.726 1.00 35.13 O ATOM 795 OE2 GLU A 47 -7.589 2.145 19.041 1.00 63.44 O ATOM 0 H GLU A 47 -5.246 4.093 16.001 1.00 72.43 H new ATOM 0 HA GLU A 47 -4.848 6.343 17.794 1.00 24.45 H new ATOM 0 HB2 GLU A 47 -4.759 3.316 18.220 1.00 65.33 H new ATOM 0 HB3 GLU A 47 -4.721 4.512 19.500 1.00 65.33 H new ATOM 0 HG2 GLU A 47 -6.999 5.291 18.861 1.00 72.01 H new ATOM 0 HG3 GLU A 47 -7.038 4.133 17.547 1.00 72.01 H new ATOM 802 N GLU A 48 -2.344 4.287 17.077 1.00 24.22 N ATOM 803 CA GLU A 48 -0.878 4.136 17.093 1.00 50.34 C ATOM 804 C GLU A 48 -0.247 5.125 16.101 1.00 15.32 C ATOM 805 O GLU A 48 -0.482 5.024 14.899 1.00 33.42 O ATOM 806 CB GLU A 48 -0.469 2.672 16.753 1.00 24.10 C ATOM 807 CG GLU A 48 -1.160 1.596 17.614 1.00 71.20 C ATOM 808 CD GLU A 48 -1.046 1.849 19.129 1.00 42.43 C ATOM 809 OE1 GLU A 48 0.065 1.704 19.683 1.00 65.14 O ATOM 810 OE2 GLU A 48 -2.072 2.188 19.777 1.00 50.15 O ATOM 0 H GLU A 48 -2.833 3.509 16.635 1.00 24.22 H new ATOM 0 HA GLU A 48 -0.510 4.358 18.095 1.00 50.34 H new ATOM 0 HB2 GLU A 48 -0.695 2.480 15.704 1.00 24.10 H new ATOM 0 HB3 GLU A 48 0.610 2.574 16.869 1.00 24.10 H new ATOM 0 HG2 GLU A 48 -2.214 1.546 17.341 1.00 71.20 H new ATOM 0 HG3 GLU A 48 -0.725 0.624 17.383 1.00 71.20 H new ATOM 817 N LYS A 49 0.510 6.109 16.623 1.00 72.33 N ATOM 818 CA LYS A 49 1.129 7.179 15.808 1.00 51.35 C ATOM 819 C LYS A 49 2.663 7.085 15.827 1.00 22.24 C ATOM 820 O LYS A 49 3.325 7.855 15.124 1.00 63.53 O ATOM 821 CB LYS A 49 0.680 8.576 16.318 1.00 33.54 C ATOM 822 CG LYS A 49 -0.846 8.801 16.316 1.00 4.43 C ATOM 823 CD LYS A 49 -1.235 10.202 16.843 1.00 21.10 C ATOM 824 CE LYS A 49 -0.730 11.340 15.943 1.00 0.00 C ATOM 825 NZ LYS A 49 -1.075 12.685 16.483 1.00 20.32 N ATOM 0 H LYS A 49 0.711 6.187 17.620 1.00 72.33 H new ATOM 0 HA LYS A 49 0.793 7.046 14.780 1.00 51.35 H new ATOM 0 HB2 LYS A 49 1.053 8.715 17.333 1.00 33.54 H new ATOM 0 HB3 LYS A 49 1.148 9.342 15.699 1.00 33.54 H new ATOM 0 HG2 LYS A 49 -1.228 8.678 15.302 1.00 4.43 H new ATOM 0 HG3 LYS A 49 -1.324 8.039 16.931 1.00 4.43 H new ATOM 0 HD2 LYS A 49 -2.320 10.265 16.926 1.00 21.10 H new ATOM 0 HD3 LYS A 49 -0.830 10.332 17.847 1.00 21.10 H new ATOM 0 HE2 LYS A 49 0.352 11.261 15.834 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.159 11.230 14.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.714 13.420 15.842 1.00 20.32 H new ATOM 0 HZ2 LYS A 49 -2.108 12.773 16.563 1.00 20.32 H new ATOM 0 HZ3 LYS A 49 -0.644 12.803 17.422 1.00 20.32 H new ATOM 839 N ASN A 50 3.220 6.152 16.629 1.00 22.13 N ATOM 840 CA ASN A 50 4.687 5.963 16.747 1.00 40.23 C ATOM 841 C ASN A 50 5.279 5.488 15.415 1.00 74.41 C ATOM 842 O ASN A 50 4.598 4.818 14.630 1.00 4.41 O ATOM 843 CB ASN A 50 5.037 4.958 17.887 1.00 20.05 C ATOM 844 CG ASN A 50 4.654 5.448 19.291 1.00 64.53 C ATOM 845 OD1 ASN A 50 3.718 6.229 19.464 1.00 2.14 O ATOM 846 ND2 ASN A 50 5.360 4.973 20.309 1.00 21.53 N ATOM 0 H ASN A 50 2.675 5.514 17.208 1.00 22.13 H new ATOM 0 HA ASN A 50 5.128 6.927 17.000 1.00 40.23 H new ATOM 0 HB2 ASN A 50 4.530 4.013 17.692 1.00 20.05 H new ATOM 0 HB3 ASN A 50 6.108 4.756 17.863 1.00 20.05 H new ATOM 0 HD21 ASN A 50 5.132 5.254 21.263 1.00 21.53 H new ATOM 0 HD22 ASN A 50 6.131 4.327 20.138 1.00 21.53 H new ATOM 853 N PHE A 51 6.551 5.850 15.180 1.00 33.53 N ATOM 854 CA PHE A 51 7.255 5.545 13.932 1.00 24.24 C ATOM 855 C PHE A 51 7.407 4.029 13.750 1.00 10.14 C ATOM 856 O PHE A 51 8.281 3.399 14.361 1.00 75.12 O ATOM 857 CB PHE A 51 8.633 6.260 13.909 1.00 70.41 C ATOM 858 CG PHE A 51 9.416 6.098 12.598 1.00 74.04 C ATOM 859 CD1 PHE A 51 8.991 6.743 11.429 1.00 33.03 C ATOM 860 CD2 PHE A 51 10.564 5.305 12.532 1.00 61.13 C ATOM 861 CE1 PHE A 51 9.696 6.600 10.248 1.00 73.14 C ATOM 862 CE2 PHE A 51 11.263 5.163 11.349 1.00 52.33 C ATOM 863 CZ PHE A 51 10.832 5.810 10.208 1.00 74.11 C ATOM 0 H PHE A 51 7.118 6.364 15.855 1.00 33.53 H new ATOM 0 HA PHE A 51 6.665 5.917 13.094 1.00 24.24 H new ATOM 0 HB2 PHE A 51 8.479 7.323 14.096 1.00 70.41 H new ATOM 0 HB3 PHE A 51 9.240 5.877 14.729 1.00 70.41 H new ATOM 0 HD1 PHE A 51 8.104 7.358 11.451 1.00 33.03 H new ATOM 0 HD2 PHE A 51 10.910 4.795 13.419 1.00 61.13 H new ATOM 0 HE1 PHE A 51 9.360 7.106 9.355 1.00 73.14 H new ATOM 0 HE2 PHE A 51 12.148 4.545 11.317 1.00 52.33 H new ATOM 0 HZ PHE A 51 11.381 5.700 9.285 1.00 74.11 H new ATOM 873 N GLU A 52 6.506 3.450 12.948 1.00 13.12 N ATOM 874 CA GLU A 52 6.569 2.045 12.557 1.00 23.10 C ATOM 875 C GLU A 52 6.491 1.936 11.034 1.00 54.31 C ATOM 876 O GLU A 52 5.708 2.633 10.380 1.00 41.11 O ATOM 877 CB GLU A 52 5.451 1.206 13.230 1.00 4.22 C ATOM 878 CG GLU A 52 5.511 -0.313 12.925 1.00 12.25 C ATOM 879 CD GLU A 52 6.821 -0.998 13.369 1.00 35.40 C ATOM 880 OE1 GLU A 52 7.828 -0.965 12.614 1.00 12.55 O ATOM 881 OE2 GLU A 52 6.857 -1.566 14.480 1.00 61.15 O ATOM 0 H GLU A 52 5.710 3.950 12.552 1.00 13.12 H new ATOM 0 HA GLU A 52 7.519 1.636 12.900 1.00 23.10 H new ATOM 0 HB2 GLU A 52 5.507 1.349 14.309 1.00 4.22 H new ATOM 0 HB3 GLU A 52 4.483 1.590 12.908 1.00 4.22 H new ATOM 0 HG2 GLU A 52 4.672 -0.804 13.418 1.00 12.25 H new ATOM 0 HG3 GLU A 52 5.382 -0.462 11.853 1.00 12.25 H new ATOM 888 N LYS A 53 7.331 1.059 10.497 1.00 24.01 N ATOM 889 CA LYS A 53 7.414 0.760 9.077 1.00 3.42 C ATOM 890 C LYS A 53 6.463 -0.402 8.780 1.00 42.03 C ATOM 891 O LYS A 53 6.769 -1.549 9.109 1.00 74.34 O ATOM 892 CB LYS A 53 8.878 0.389 8.741 1.00 33.11 C ATOM 893 CG LYS A 53 9.929 1.412 9.235 1.00 54.03 C ATOM 894 CD LYS A 53 11.378 0.899 9.109 1.00 33.11 C ATOM 895 CE LYS A 53 11.610 -0.411 9.885 1.00 61.25 C ATOM 896 NZ LYS A 53 11.194 -0.319 11.310 1.00 44.22 N ATOM 0 H LYS A 53 7.992 0.521 11.057 1.00 24.01 H new ATOM 0 HA LYS A 53 7.125 1.616 8.467 1.00 3.42 H new ATOM 0 HB2 LYS A 53 9.103 -0.584 9.179 1.00 33.11 H new ATOM 0 HB3 LYS A 53 8.974 0.282 7.660 1.00 33.11 H new ATOM 0 HG2 LYS A 53 9.826 2.335 8.664 1.00 54.03 H new ATOM 0 HG3 LYS A 53 9.726 1.658 10.277 1.00 54.03 H new ATOM 0 HD2 LYS A 53 11.614 0.741 8.057 1.00 33.11 H new ATOM 0 HD3 LYS A 53 12.063 1.662 9.478 1.00 33.11 H new ATOM 0 HE2 LYS A 53 11.058 -1.217 9.402 1.00 61.25 H new ATOM 0 HE3 LYS A 53 12.667 -0.675 9.836 1.00 61.25 H new ATOM 0 HZ1 LYS A 53 11.465 -1.191 11.808 1.00 44.22 H new ATOM 0 HZ2 LYS A 53 11.663 0.495 11.757 1.00 44.22 H new ATOM 0 HZ3 LYS A 53 10.163 -0.196 11.363 1.00 44.22 H new ATOM 910 N ILE A 54 5.288 -0.099 8.217 1.00 53.41 N ATOM 911 CA ILE A 54 4.224 -1.093 7.988 1.00 13.34 C ATOM 912 C ILE A 54 3.968 -1.259 6.480 1.00 5.32 C ATOM 913 O ILE A 54 3.783 -0.266 5.761 1.00 5.01 O ATOM 914 CB ILE A 54 2.870 -0.688 8.705 1.00 53.10 C ATOM 915 CG1 ILE A 54 3.113 -0.320 10.205 1.00 62.05 C ATOM 916 CG2 ILE A 54 1.822 -1.827 8.586 1.00 74.12 C ATOM 917 CD1 ILE A 54 1.888 0.171 10.962 1.00 70.42 C ATOM 0 H ILE A 54 5.044 0.841 7.906 1.00 53.41 H new ATOM 0 HA ILE A 54 4.567 -2.036 8.415 1.00 13.34 H new ATOM 0 HB ILE A 54 2.478 0.195 8.201 1.00 53.10 H new ATOM 0 HG12 ILE A 54 3.509 -1.197 10.717 1.00 62.05 H new ATOM 0 HG13 ILE A 54 3.882 0.451 10.253 1.00 62.05 H new ATOM 0 HG21 ILE A 54 0.901 -1.527 9.085 1.00 74.12 H new ATOM 0 HG22 ILE A 54 1.617 -2.024 7.534 1.00 74.12 H new ATOM 0 HG23 ILE A 54 2.212 -2.730 9.055 1.00 74.12 H new ATOM 0 HD11 ILE A 54 2.164 0.399 11.992 1.00 70.42 H new ATOM 0 HD12 ILE A 54 1.500 1.070 10.483 1.00 70.42 H new ATOM 0 HD13 ILE A 54 1.121 -0.604 10.955 1.00 70.42 H new ATOM 929 N LEU A 55 3.978 -2.509 6.009 1.00 55.23 N ATOM 930 CA LEU A 55 3.513 -2.871 4.669 1.00 3.20 C ATOM 931 C LEU A 55 2.116 -3.483 4.808 1.00 22.04 C ATOM 932 O LEU A 55 1.983 -4.587 5.338 1.00 4.41 O ATOM 933 CB LEU A 55 4.466 -3.906 4.002 1.00 5.35 C ATOM 934 CG LEU A 55 4.180 -4.198 2.489 1.00 21.10 C ATOM 935 CD1 LEU A 55 4.739 -3.079 1.596 1.00 12.22 C ATOM 936 CD2 LEU A 55 4.685 -5.592 2.046 1.00 61.24 C ATOM 0 H LEU A 55 4.312 -3.305 6.553 1.00 55.23 H new ATOM 0 HA LEU A 55 3.494 -1.981 4.040 1.00 3.20 H new ATOM 0 HB2 LEU A 55 5.491 -3.548 4.099 1.00 5.35 H new ATOM 0 HB3 LEU A 55 4.403 -4.843 4.555 1.00 5.35 H new ATOM 0 HG LEU A 55 3.097 -4.215 2.367 1.00 21.10 H new ATOM 0 HD11 LEU A 55 4.527 -3.307 0.551 1.00 12.22 H new ATOM 0 HD12 LEU A 55 4.270 -2.132 1.863 1.00 12.22 H new ATOM 0 HD13 LEU A 55 5.817 -3.004 1.739 1.00 12.22 H new ATOM 0 HD21 LEU A 55 4.461 -5.741 0.990 1.00 61.24 H new ATOM 0 HD22 LEU A 55 5.762 -5.655 2.201 1.00 61.24 H new ATOM 0 HD23 LEU A 55 4.188 -6.363 2.635 1.00 61.24 H new ATOM 948 N ILE A 56 1.072 -2.765 4.382 1.00 2.31 N ATOM 949 CA ILE A 56 -0.291 -3.312 4.363 1.00 12.13 C ATOM 950 C ILE A 56 -0.554 -3.941 2.983 1.00 61.14 C ATOM 951 O ILE A 56 -0.468 -3.262 1.962 1.00 3.53 O ATOM 952 CB ILE A 56 -1.395 -2.229 4.646 1.00 45.01 C ATOM 953 CG1 ILE A 56 -1.188 -1.493 6.013 1.00 51.41 C ATOM 954 CG2 ILE A 56 -2.809 -2.872 4.577 1.00 34.31 C ATOM 955 CD1 ILE A 56 -1.467 -2.335 7.253 1.00 55.44 C ATOM 0 H ILE A 56 1.143 -1.805 4.046 1.00 2.31 H new ATOM 0 HA ILE A 56 -0.353 -4.052 5.161 1.00 12.13 H new ATOM 0 HB ILE A 56 -1.305 -1.470 3.868 1.00 45.01 H new ATOM 0 HG12 ILE A 56 -0.160 -1.133 6.062 1.00 51.41 H new ATOM 0 HG13 ILE A 56 -1.834 -0.616 6.036 1.00 51.41 H new ATOM 0 HG21 ILE A 56 -3.565 -2.112 4.775 1.00 34.31 H new ATOM 0 HG22 ILE A 56 -2.969 -3.293 3.584 1.00 34.31 H new ATOM 0 HG23 ILE A 56 -2.886 -3.663 5.323 1.00 34.31 H new ATOM 0 HD11 ILE A 56 -1.295 -1.735 8.147 1.00 55.44 H new ATOM 0 HD12 ILE A 56 -2.503 -2.674 7.237 1.00 55.44 H new ATOM 0 HD13 ILE A 56 -0.803 -3.199 7.263 1.00 55.44 H new ATOM 967 N LYS A 57 -0.856 -5.234 2.982 1.00 23.43 N ATOM 968 CA LYS A 57 -1.281 -5.980 1.789 1.00 13.34 C ATOM 969 C LYS A 57 -2.803 -6.205 1.866 1.00 33.14 C ATOM 970 O LYS A 57 -3.320 -6.503 2.947 1.00 31.34 O ATOM 971 CB LYS A 57 -0.487 -7.325 1.734 1.00 41.14 C ATOM 972 CG LYS A 57 -1.007 -8.400 0.733 1.00 62.11 C ATOM 973 CD LYS A 57 -2.050 -9.375 1.351 1.00 71.10 C ATOM 974 CE LYS A 57 -2.485 -10.481 0.380 1.00 43.21 C ATOM 975 NZ LYS A 57 -3.480 -11.403 0.989 1.00 33.41 N ATOM 0 H LYS A 57 -0.814 -5.810 3.823 1.00 23.43 H new ATOM 0 HA LYS A 57 -1.070 -5.427 0.874 1.00 13.34 H new ATOM 0 HB2 LYS A 57 0.550 -7.099 1.484 1.00 41.14 H new ATOM 0 HB3 LYS A 57 -0.486 -7.761 2.733 1.00 41.14 H new ATOM 0 HG2 LYS A 57 -1.455 -7.899 -0.125 1.00 62.11 H new ATOM 0 HG3 LYS A 57 -0.160 -8.976 0.360 1.00 62.11 H new ATOM 0 HD2 LYS A 57 -1.627 -9.831 2.246 1.00 71.10 H new ATOM 0 HD3 LYS A 57 -2.927 -8.809 1.665 1.00 71.10 H new ATOM 0 HE2 LYS A 57 -2.911 -10.029 -0.516 1.00 43.21 H new ATOM 0 HE3 LYS A 57 -1.610 -11.050 0.064 1.00 43.21 H new ATOM 0 HZ1 LYS A 57 -3.871 -12.026 0.254 1.00 33.41 H new ATOM 0 HZ2 LYS A 57 -3.017 -11.979 1.721 1.00 33.41 H new ATOM 0 HZ3 LYS A 57 -4.249 -10.850 1.418 1.00 33.41 H new ATOM 989 N SER A 58 -3.491 -6.074 0.716 1.00 33.53 N ATOM 990 CA SER A 58 -4.925 -6.387 0.595 1.00 1.43 C ATOM 991 C SER A 58 -5.307 -6.504 -0.897 1.00 24.02 C ATOM 992 O SER A 58 -4.874 -5.689 -1.723 1.00 30.05 O ATOM 993 CB SER A 58 -5.782 -5.315 1.309 1.00 31.43 C ATOM 994 OG SER A 58 -7.175 -5.572 1.178 1.00 54.34 O ATOM 0 H SER A 58 -3.068 -5.749 -0.153 1.00 33.53 H new ATOM 0 HA SER A 58 -5.124 -7.342 1.081 1.00 1.43 H new ATOM 0 HB2 SER A 58 -5.517 -5.284 2.366 1.00 31.43 H new ATOM 0 HB3 SER A 58 -5.554 -4.333 0.894 1.00 31.43 H new ATOM 0 HG SER A 58 -7.664 -5.092 1.879 1.00 54.34 H new ATOM 1000 N ASN A 59 -6.121 -7.527 -1.214 1.00 1.44 N ATOM 1001 CA ASN A 59 -6.542 -7.862 -2.594 1.00 22.22 C ATOM 1002 C ASN A 59 -7.697 -6.963 -3.066 1.00 24.14 C ATOM 1003 O ASN A 59 -7.796 -6.633 -4.250 1.00 64.55 O ATOM 1004 CB ASN A 59 -6.993 -9.347 -2.679 1.00 65.34 C ATOM 1005 CG ASN A 59 -5.883 -10.369 -2.401 1.00 21.35 C ATOM 1006 OD1 ASN A 59 -4.967 -10.127 -1.619 1.00 71.33 O ATOM 1007 ND2 ASN A 59 -5.963 -11.521 -3.049 1.00 70.32 N ATOM 0 H ASN A 59 -6.512 -8.155 -0.512 1.00 1.44 H new ATOM 0 HA ASN A 59 -5.681 -7.698 -3.242 1.00 22.22 H new ATOM 0 HB2 ASN A 59 -7.803 -9.508 -1.968 1.00 65.34 H new ATOM 0 HB3 ASN A 59 -7.399 -9.533 -3.673 1.00 65.34 H new ATOM 0 HD21 ASN A 59 -5.251 -12.238 -2.905 1.00 70.32 H new ATOM 0 HD22 ASN A 59 -6.736 -11.692 -3.692 1.00 70.32 H new ATOM 1014 N ASP A 60 -8.587 -6.604 -2.125 1.00 50.44 N ATOM 1015 CA ASP A 60 -9.782 -5.797 -2.421 1.00 41.41 C ATOM 1016 C ASP A 60 -9.441 -4.311 -2.335 1.00 73.14 C ATOM 1017 O ASP A 60 -9.312 -3.782 -1.231 1.00 14.33 O ATOM 1018 CB ASP A 60 -10.931 -6.126 -1.431 1.00 32.15 C ATOM 1019 CG ASP A 60 -11.421 -7.567 -1.546 1.00 24.10 C ATOM 1020 OD1 ASP A 60 -12.197 -7.863 -2.482 1.00 23.23 O ATOM 1021 OD2 ASP A 60 -11.017 -8.419 -0.729 1.00 32.24 O ATOM 0 H ASP A 60 -8.499 -6.864 -1.143 1.00 50.44 H new ATOM 0 HA ASP A 60 -10.114 -6.037 -3.431 1.00 41.41 H new ATOM 0 HB2 ASP A 60 -10.589 -5.944 -0.412 1.00 32.15 H new ATOM 0 HB3 ASP A 60 -11.765 -5.448 -1.613 1.00 32.15 H new ATOM 1026 N LYS A 61 -9.315 -3.646 -3.510 1.00 33.50 N ATOM 1027 CA LYS A 61 -8.957 -2.199 -3.604 1.00 71.13 C ATOM 1028 C LYS A 61 -9.946 -1.290 -2.841 1.00 2.12 C ATOM 1029 O LYS A 61 -9.590 -0.165 -2.462 1.00 10.21 O ATOM 1030 CB LYS A 61 -8.811 -1.716 -5.084 1.00 52.04 C ATOM 1031 CG LYS A 61 -10.087 -1.798 -5.971 1.00 25.54 C ATOM 1032 CD LYS A 61 -10.260 -3.167 -6.663 1.00 13.32 C ATOM 1033 CE LYS A 61 -11.525 -3.239 -7.534 1.00 41.45 C ATOM 1034 NZ LYS A 61 -11.617 -4.527 -8.276 1.00 24.00 N ATOM 0 H LYS A 61 -9.457 -4.090 -4.417 1.00 33.50 H new ATOM 0 HA LYS A 61 -7.984 -2.110 -3.122 1.00 71.13 H new ATOM 0 HB2 LYS A 61 -8.469 -0.681 -5.073 1.00 52.04 H new ATOM 0 HB3 LYS A 61 -8.027 -2.305 -5.559 1.00 52.04 H new ATOM 0 HG2 LYS A 61 -10.963 -1.596 -5.355 1.00 25.54 H new ATOM 0 HG3 LYS A 61 -10.045 -1.017 -6.730 1.00 25.54 H new ATOM 0 HD2 LYS A 61 -9.386 -3.369 -7.282 1.00 13.32 H new ATOM 0 HD3 LYS A 61 -10.301 -3.949 -5.905 1.00 13.32 H new ATOM 0 HE2 LYS A 61 -12.407 -3.119 -6.904 1.00 41.45 H new ATOM 0 HE3 LYS A 61 -11.525 -2.411 -8.243 1.00 41.45 H new ATOM 0 HZ1 LYS A 61 -12.617 -4.773 -8.423 1.00 24.00 H new ATOM 0 HZ2 LYS A 61 -11.145 -4.431 -9.198 1.00 24.00 H new ATOM 0 HZ3 LYS A 61 -11.153 -5.278 -7.726 1.00 24.00 H new ATOM 1048 N GLN A 62 -11.171 -1.810 -2.582 1.00 45.13 N ATOM 1049 CA GLN A 62 -12.184 -1.117 -1.765 1.00 2.34 C ATOM 1050 C GLN A 62 -11.618 -0.831 -0.367 1.00 1.54 C ATOM 1051 O GLN A 62 -11.619 0.313 0.083 1.00 20.43 O ATOM 1052 CB GLN A 62 -13.480 -1.960 -1.632 1.00 13.04 C ATOM 1053 CG GLN A 62 -14.272 -2.150 -2.939 1.00 50.23 C ATOM 1054 CD GLN A 62 -15.574 -2.954 -2.767 1.00 33.33 C ATOM 1055 OE1 GLN A 62 -15.978 -3.691 -3.661 1.00 44.43 O ATOM 1056 NE2 GLN A 62 -16.257 -2.797 -1.631 1.00 54.51 N ATOM 0 H GLN A 62 -11.478 -2.717 -2.934 1.00 45.13 H new ATOM 0 HA GLN A 62 -12.434 -0.181 -2.265 1.00 2.34 H new ATOM 0 HB2 GLN A 62 -13.218 -2.942 -1.238 1.00 13.04 H new ATOM 0 HB3 GLN A 62 -14.130 -1.485 -0.897 1.00 13.04 H new ATOM 0 HG2 GLN A 62 -14.513 -1.171 -3.352 1.00 50.23 H new ATOM 0 HG3 GLN A 62 -13.637 -2.656 -3.667 1.00 50.23 H new ATOM 0 HE21 GLN A 62 -15.900 -2.179 -0.903 1.00 54.51 H new ATOM 0 HE22 GLN A 62 -17.136 -3.296 -1.491 1.00 54.51 H new ATOM 1065 N LEU A 63 -11.066 -1.892 0.259 1.00 11.11 N ATOM 1066 CA LEU A 63 -10.544 -1.866 1.636 1.00 11.30 C ATOM 1067 C LEU A 63 -9.414 -0.829 1.794 1.00 13.52 C ATOM 1068 O LEU A 63 -9.369 -0.102 2.790 1.00 24.33 O ATOM 1069 CB LEU A 63 -10.042 -3.282 2.053 1.00 63.33 C ATOM 1070 CG LEU A 63 -11.088 -4.441 1.967 1.00 65.32 C ATOM 1071 CD1 LEU A 63 -10.474 -5.785 2.425 1.00 45.31 C ATOM 1072 CD2 LEU A 63 -12.379 -4.112 2.754 1.00 2.00 C ATOM 0 H LEU A 63 -10.970 -2.804 -0.188 1.00 11.11 H new ATOM 0 HA LEU A 63 -11.361 -1.571 2.295 1.00 11.30 H new ATOM 0 HB2 LEU A 63 -9.191 -3.542 1.424 1.00 63.33 H new ATOM 0 HB3 LEU A 63 -9.676 -3.227 3.078 1.00 63.33 H new ATOM 0 HG LEU A 63 -11.370 -4.545 0.919 1.00 65.32 H new ATOM 0 HD11 LEU A 63 -11.225 -6.571 2.354 1.00 45.31 H new ATOM 0 HD12 LEU A 63 -9.626 -6.034 1.786 1.00 45.31 H new ATOM 0 HD13 LEU A 63 -10.137 -5.698 3.458 1.00 45.31 H new ATOM 0 HD21 LEU A 63 -13.079 -4.943 2.668 1.00 2.00 H new ATOM 0 HD22 LEU A 63 -12.134 -3.951 3.804 1.00 2.00 H new ATOM 0 HD23 LEU A 63 -12.835 -3.210 2.345 1.00 2.00 H new ATOM 1084 N LEU A 64 -8.534 -0.750 0.777 1.00 63.43 N ATOM 1085 CA LEU A 64 -7.380 0.176 0.784 1.00 1.22 C ATOM 1086 C LEU A 64 -7.861 1.639 0.746 1.00 51.33 C ATOM 1087 O LEU A 64 -7.311 2.489 1.444 1.00 12.03 O ATOM 1088 CB LEU A 64 -6.387 -0.101 -0.388 1.00 72.22 C ATOM 1089 CG LEU A 64 -5.637 -1.481 -0.348 1.00 34.25 C ATOM 1090 CD1 LEU A 64 -6.529 -2.638 -0.795 1.00 41.10 C ATOM 1091 CD2 LEU A 64 -4.351 -1.459 -1.184 1.00 43.01 C ATOM 0 H LEU A 64 -8.600 -1.320 -0.066 1.00 63.43 H new ATOM 0 HA LEU A 64 -6.837 0.002 1.713 1.00 1.22 H new ATOM 0 HB2 LEU A 64 -6.938 -0.037 -1.326 1.00 72.22 H new ATOM 0 HB3 LEU A 64 -5.642 0.694 -0.401 1.00 72.22 H new ATOM 0 HG LEU A 64 -5.368 -1.645 0.695 1.00 34.25 H new ATOM 0 HD11 LEU A 64 -5.966 -3.570 -0.750 1.00 41.10 H new ATOM 0 HD12 LEU A 64 -7.395 -2.705 -0.136 1.00 41.10 H new ATOM 0 HD13 LEU A 64 -6.864 -2.465 -1.818 1.00 41.10 H new ATOM 0 HD21 LEU A 64 -3.864 -2.433 -1.128 1.00 43.01 H new ATOM 0 HD22 LEU A 64 -4.596 -1.234 -2.222 1.00 43.01 H new ATOM 0 HD23 LEU A 64 -3.678 -0.694 -0.796 1.00 43.01 H new ATOM 1103 N LYS A 65 -8.912 1.909 -0.052 1.00 13.12 N ATOM 1104 CA LYS A 65 -9.512 3.251 -0.153 1.00 63.03 C ATOM 1105 C LYS A 65 -10.209 3.638 1.166 1.00 32.22 C ATOM 1106 O LYS A 65 -9.984 4.734 1.686 1.00 45.32 O ATOM 1107 CB LYS A 65 -10.514 3.322 -1.333 1.00 1.41 C ATOM 1108 CG LYS A 65 -11.295 4.649 -1.405 1.00 14.20 C ATOM 1109 CD LYS A 65 -12.206 4.771 -2.646 1.00 42.24 C ATOM 1110 CE LYS A 65 -13.110 6.013 -2.566 1.00 75.23 C ATOM 1111 NZ LYS A 65 -12.347 7.244 -2.224 1.00 33.21 N ATOM 0 H LYS A 65 -9.365 1.209 -0.640 1.00 13.12 H new ATOM 0 HA LYS A 65 -8.709 3.964 -0.342 1.00 63.03 H new ATOM 0 HB2 LYS A 65 -9.972 3.179 -2.268 1.00 1.41 H new ATOM 0 HB3 LYS A 65 -11.222 2.498 -1.246 1.00 1.41 H new ATOM 0 HG2 LYS A 65 -11.905 4.750 -0.507 1.00 14.20 H new ATOM 0 HG3 LYS A 65 -10.586 5.477 -1.404 1.00 14.20 H new ATOM 0 HD2 LYS A 65 -11.592 4.825 -3.545 1.00 42.24 H new ATOM 0 HD3 LYS A 65 -12.823 3.877 -2.734 1.00 42.24 H new ATOM 0 HE2 LYS A 65 -13.615 6.155 -3.522 1.00 75.23 H new ATOM 0 HE3 LYS A 65 -13.885 5.848 -1.817 1.00 75.23 H new ATOM 0 HZ1 LYS A 65 -12.791 8.066 -2.681 1.00 33.21 H new ATOM 0 HZ2 LYS A 65 -12.349 7.378 -1.193 1.00 33.21 H new ATOM 0 HZ3 LYS A 65 -11.367 7.149 -2.559 1.00 33.21 H new ATOM 1125 N GLU A 66 -11.029 2.708 1.701 1.00 21.40 N ATOM 1126 CA GLU A 66 -11.800 2.904 2.955 1.00 33.21 C ATOM 1127 C GLU A 66 -10.861 3.171 4.149 1.00 5.11 C ATOM 1128 O GLU A 66 -11.215 3.895 5.092 1.00 22.42 O ATOM 1129 CB GLU A 66 -12.692 1.668 3.230 1.00 25.53 C ATOM 1130 CG GLU A 66 -13.734 1.385 2.129 1.00 52.23 C ATOM 1131 CD GLU A 66 -14.558 0.116 2.388 1.00 15.22 C ATOM 1132 OE1 GLU A 66 -15.530 0.185 3.171 1.00 33.51 O ATOM 1133 OE2 GLU A 66 -14.250 -0.948 1.810 1.00 64.24 O ATOM 0 H GLU A 66 -11.178 1.793 1.275 1.00 21.40 H new ATOM 0 HA GLU A 66 -12.438 3.779 2.831 1.00 33.21 H new ATOM 0 HB2 GLU A 66 -12.054 0.792 3.345 1.00 25.53 H new ATOM 0 HB3 GLU A 66 -13.211 1.812 4.178 1.00 25.53 H new ATOM 0 HG2 GLU A 66 -14.408 2.238 2.048 1.00 52.23 H new ATOM 0 HG3 GLU A 66 -13.224 1.290 1.171 1.00 52.23 H new ATOM 1140 N MET A 67 -9.660 2.587 4.061 1.00 74.10 N ATOM 1141 CA MET A 67 -8.568 2.805 5.019 1.00 12.34 C ATOM 1142 C MET A 67 -8.099 4.274 4.957 1.00 31.33 C ATOM 1143 O MET A 67 -8.028 4.976 5.978 1.00 2.43 O ATOM 1144 CB MET A 67 -7.410 1.837 4.672 1.00 42.22 C ATOM 1145 CG MET A 67 -6.279 1.737 5.699 1.00 14.25 C ATOM 1146 SD MET A 67 -4.863 0.813 5.061 1.00 72.13 S ATOM 1147 CE MET A 67 -5.648 -0.696 4.482 1.00 4.32 C ATOM 0 H MET A 67 -9.415 1.940 3.311 1.00 74.10 H new ATOM 0 HA MET A 67 -8.910 2.607 6.035 1.00 12.34 H new ATOM 0 HB2 MET A 67 -7.829 0.841 4.526 1.00 42.22 H new ATOM 0 HB3 MET A 67 -6.980 2.145 3.719 1.00 42.22 H new ATOM 0 HG2 MET A 67 -5.959 2.739 5.984 1.00 14.25 H new ATOM 0 HG3 MET A 67 -6.651 1.252 6.602 1.00 14.25 H new ATOM 0 HE1 MET A 67 -4.973 -1.221 3.805 1.00 4.32 H new ATOM 0 HE2 MET A 67 -5.878 -1.336 5.334 1.00 4.32 H new ATOM 0 HE3 MET A 67 -6.570 -0.448 3.955 1.00 4.32 H new ATOM 1157 N LEU A 68 -7.852 4.736 3.719 1.00 14.24 N ATOM 1158 CA LEU A 68 -7.334 6.084 3.418 1.00 54.22 C ATOM 1159 C LEU A 68 -8.350 7.195 3.753 1.00 63.52 C ATOM 1160 O LEU A 68 -7.949 8.343 3.989 1.00 20.44 O ATOM 1161 CB LEU A 68 -6.922 6.158 1.927 1.00 11.45 C ATOM 1162 CG LEU A 68 -5.745 5.226 1.500 1.00 42.21 C ATOM 1163 CD1 LEU A 68 -5.524 5.263 -0.022 1.00 75.30 C ATOM 1164 CD2 LEU A 68 -4.446 5.561 2.260 1.00 23.22 C ATOM 0 H LEU A 68 -8.009 4.173 2.883 1.00 14.24 H new ATOM 0 HA LEU A 68 -6.464 6.254 4.052 1.00 54.22 H new ATOM 0 HB2 LEU A 68 -7.792 5.916 1.317 1.00 11.45 H new ATOM 0 HB3 LEU A 68 -6.647 7.187 1.696 1.00 11.45 H new ATOM 0 HG LEU A 68 -6.027 4.208 1.770 1.00 42.21 H new ATOM 0 HD11 LEU A 68 -4.697 4.603 -0.286 1.00 75.30 H new ATOM 0 HD12 LEU A 68 -6.430 4.931 -0.529 1.00 75.30 H new ATOM 0 HD13 LEU A 68 -5.288 6.281 -0.331 1.00 75.30 H new ATOM 0 HD21 LEU A 68 -3.651 4.890 1.935 1.00 23.22 H new ATOM 0 HD22 LEU A 68 -4.159 6.592 2.053 1.00 23.22 H new ATOM 0 HD23 LEU A 68 -4.609 5.438 3.331 1.00 23.22 H new ATOM 1176 N GLU A 69 -9.656 6.850 3.771 1.00 61.41 N ATOM 1177 CA GLU A 69 -10.739 7.790 4.159 1.00 34.41 C ATOM 1178 C GLU A 69 -10.536 8.272 5.605 1.00 32.14 C ATOM 1179 O GLU A 69 -10.786 9.440 5.925 1.00 45.43 O ATOM 1180 CB GLU A 69 -12.141 7.129 4.018 1.00 34.43 C ATOM 1181 CG GLU A 69 -12.444 6.512 2.638 1.00 51.44 C ATOM 1182 CD GLU A 69 -12.385 7.499 1.457 1.00 72.11 C ATOM 1183 OE1 GLU A 69 -13.372 8.236 1.248 1.00 4.12 O ATOM 1184 OE2 GLU A 69 -11.372 7.532 0.720 1.00 4.13 O ATOM 0 H GLU A 69 -9.991 5.920 3.520 1.00 61.41 H new ATOM 0 HA GLU A 69 -10.693 8.644 3.483 1.00 34.41 H new ATOM 0 HB2 GLU A 69 -12.234 6.350 4.774 1.00 34.43 H new ATOM 0 HB3 GLU A 69 -12.901 7.879 4.237 1.00 34.43 H new ATOM 0 HG2 GLU A 69 -11.735 5.705 2.454 1.00 51.44 H new ATOM 0 HG3 GLU A 69 -13.437 6.063 2.667 1.00 51.44 H new ATOM 1191 N LEU A 70 -10.079 7.342 6.465 1.00 20.04 N ATOM 1192 CA LEU A 70 -9.782 7.625 7.879 1.00 71.44 C ATOM 1193 C LEU A 70 -8.390 8.285 8.017 1.00 20.22 C ATOM 1194 O LEU A 70 -8.234 9.267 8.760 1.00 14.03 O ATOM 1195 CB LEU A 70 -9.867 6.318 8.722 1.00 72.13 C ATOM 1196 CG LEU A 70 -11.216 5.520 8.627 1.00 25.33 C ATOM 1197 CD1 LEU A 70 -11.210 4.290 9.567 1.00 15.42 C ATOM 1198 CD2 LEU A 70 -12.443 6.423 8.898 1.00 61.43 C ATOM 0 H LEU A 70 -9.906 6.373 6.197 1.00 20.04 H new ATOM 0 HA LEU A 70 -10.526 8.324 8.260 1.00 71.44 H new ATOM 0 HB2 LEU A 70 -9.056 5.658 8.414 1.00 72.13 H new ATOM 0 HB3 LEU A 70 -9.692 6.572 9.767 1.00 72.13 H new ATOM 0 HG LEU A 70 -11.301 5.159 7.602 1.00 25.33 H new ATOM 0 HD11 LEU A 70 -12.158 3.759 9.478 1.00 15.42 H new ATOM 0 HD12 LEU A 70 -10.393 3.624 9.289 1.00 15.42 H new ATOM 0 HD13 LEU A 70 -11.075 4.620 10.597 1.00 15.42 H new ATOM 0 HD21 LEU A 70 -13.355 5.830 8.822 1.00 61.43 H new ATOM 0 HD22 LEU A 70 -12.368 6.847 9.899 1.00 61.43 H new ATOM 0 HD23 LEU A 70 -12.471 7.228 8.164 1.00 61.43 H new ATOM 1210 N ILE A 71 -7.413 7.759 7.244 1.00 41.23 N ATOM 1211 CA ILE A 71 -5.988 8.180 7.299 1.00 10.24 C ATOM 1212 C ILE A 71 -5.802 9.675 6.950 1.00 14.25 C ATOM 1213 O ILE A 71 -4.915 10.338 7.511 1.00 64.52 O ATOM 1214 CB ILE A 71 -5.093 7.274 6.363 1.00 54.43 C ATOM 1215 CG1 ILE A 71 -5.054 5.807 6.899 1.00 43.00 C ATOM 1216 CG2 ILE A 71 -3.661 7.841 6.191 1.00 43.33 C ATOM 1217 CD1 ILE A 71 -4.245 4.839 6.050 1.00 1.32 C ATOM 0 H ILE A 71 -7.589 7.025 6.558 1.00 41.23 H new ATOM 0 HA ILE A 71 -5.660 8.047 8.330 1.00 10.24 H new ATOM 0 HB ILE A 71 -5.552 7.274 5.374 1.00 54.43 H new ATOM 0 HG12 ILE A 71 -4.642 5.815 7.908 1.00 43.00 H new ATOM 0 HG13 ILE A 71 -6.076 5.435 6.975 1.00 43.00 H new ATOM 0 HG21 ILE A 71 -3.085 7.183 5.540 1.00 43.33 H new ATOM 0 HG22 ILE A 71 -3.714 8.835 5.747 1.00 43.33 H new ATOM 0 HG23 ILE A 71 -3.175 7.904 7.165 1.00 43.33 H new ATOM 0 HD11 ILE A 71 -4.276 3.847 6.500 1.00 1.32 H new ATOM 0 HD12 ILE A 71 -4.667 4.795 5.046 1.00 1.32 H new ATOM 0 HD13 ILE A 71 -3.211 5.180 5.994 1.00 1.32 H new ATOM 1229 N SER A 72 -6.654 10.185 6.048 1.00 13.33 N ATOM 1230 CA SER A 72 -6.586 11.564 5.519 1.00 72.01 C ATOM 1231 C SER A 72 -6.468 12.618 6.638 1.00 63.31 C ATOM 1232 O SER A 72 -5.515 13.408 6.666 1.00 3.14 O ATOM 1233 CB SER A 72 -7.831 11.825 4.648 1.00 53.35 C ATOM 1234 OG SER A 72 -9.020 11.602 5.398 1.00 20.20 O ATOM 0 H SER A 72 -7.425 9.644 5.656 1.00 13.33 H new ATOM 0 HA SER A 72 -5.683 11.657 4.916 1.00 72.01 H new ATOM 0 HB2 SER A 72 -7.815 12.850 4.278 1.00 53.35 H new ATOM 0 HB3 SER A 72 -7.816 11.171 3.776 1.00 53.35 H new ATOM 0 HG SER A 72 -9.303 10.670 5.293 1.00 20.20 H new ATOM 1240 N LYS A 73 -7.415 12.571 7.589 1.00 75.54 N ATOM 1241 CA LYS A 73 -7.500 13.545 8.693 1.00 25.02 C ATOM 1242 C LYS A 73 -6.618 13.140 9.894 1.00 52.21 C ATOM 1243 O LYS A 73 -6.468 13.925 10.834 1.00 10.40 O ATOM 1244 CB LYS A 73 -8.980 13.725 9.106 1.00 32.24 C ATOM 1245 CG LYS A 73 -9.883 14.276 7.973 1.00 24.22 C ATOM 1246 CD LYS A 73 -11.369 14.434 8.386 1.00 25.52 C ATOM 1247 CE LYS A 73 -12.024 13.099 8.774 1.00 35.41 C ATOM 1248 NZ LYS A 73 -13.485 13.238 9.021 1.00 3.13 N ATOM 0 H LYS A 73 -8.144 11.858 7.616 1.00 75.54 H new ATOM 0 HA LYS A 73 -7.111 14.501 8.342 1.00 25.02 H new ATOM 0 HB2 LYS A 73 -9.374 12.764 9.438 1.00 32.24 H new ATOM 0 HB3 LYS A 73 -9.030 14.402 9.959 1.00 32.24 H new ATOM 0 HG2 LYS A 73 -9.499 15.244 7.652 1.00 24.22 H new ATOM 0 HG3 LYS A 73 -9.822 13.608 7.114 1.00 24.22 H new ATOM 0 HD2 LYS A 73 -11.436 15.124 9.227 1.00 25.52 H new ATOM 0 HD3 LYS A 73 -11.925 14.880 7.562 1.00 25.52 H new ATOM 0 HE2 LYS A 73 -11.860 12.372 7.979 1.00 35.41 H new ATOM 0 HE3 LYS A 73 -11.542 12.707 9.670 1.00 35.41 H new ATOM 0 HZ1 LYS A 73 -13.883 12.313 9.279 1.00 3.13 H new ATOM 0 HZ2 LYS A 73 -13.643 13.912 9.797 1.00 3.13 H new ATOM 0 HZ3 LYS A 73 -13.951 13.587 8.159 1.00 3.13 H new ATOM 1262 N LEU A 74 -6.045 11.917 9.870 1.00 33.32 N ATOM 1263 CA LEU A 74 -4.992 11.518 10.834 1.00 24.41 C ATOM 1264 C LEU A 74 -3.707 12.315 10.518 1.00 55.53 C ATOM 1265 O LEU A 74 -3.084 12.900 11.414 1.00 74.42 O ATOM 1266 CB LEU A 74 -4.717 9.990 10.780 1.00 54.02 C ATOM 1267 CG LEU A 74 -5.921 9.050 11.102 1.00 11.21 C ATOM 1268 CD1 LEU A 74 -5.539 7.568 10.899 1.00 14.12 C ATOM 1269 CD2 LEU A 74 -6.478 9.299 12.520 1.00 22.13 C ATOM 0 H LEU A 74 -6.291 11.191 9.197 1.00 33.32 H new ATOM 0 HA LEU A 74 -5.331 11.744 11.845 1.00 24.41 H new ATOM 0 HB2 LEU A 74 -4.351 9.745 9.783 1.00 54.02 H new ATOM 0 HB3 LEU A 74 -3.912 9.764 11.479 1.00 54.02 H new ATOM 0 HG LEU A 74 -6.718 9.288 10.398 1.00 11.21 H new ATOM 0 HD11 LEU A 74 -6.397 6.936 11.131 1.00 14.12 H new ATOM 0 HD12 LEU A 74 -5.240 7.408 9.863 1.00 14.12 H new ATOM 0 HD13 LEU A 74 -4.711 7.312 11.560 1.00 14.12 H new ATOM 0 HD21 LEU A 74 -7.315 8.625 12.706 1.00 22.13 H new ATOM 0 HD22 LEU A 74 -5.695 9.116 13.256 1.00 22.13 H new ATOM 0 HD23 LEU A 74 -6.818 10.331 12.601 1.00 22.13 H new ATOM 1281 N GLY A 75 -3.345 12.327 9.221 1.00 42.54 N ATOM 1282 CA GLY A 75 -2.264 13.165 8.703 1.00 71.40 C ATOM 1283 C GLY A 75 -0.888 12.524 8.795 1.00 13.24 C ATOM 1284 O GLY A 75 -0.100 12.852 9.691 1.00 3.02 O ATOM 0 H GLY A 75 -3.798 11.754 8.509 1.00 42.54 H new ATOM 0 HA2 GLY A 75 -2.472 13.406 7.661 1.00 71.40 H new ATOM 0 HA3 GLY A 75 -2.253 14.107 9.252 1.00 71.40 H new ATOM 1288 N TYR A 76 -0.611 11.585 7.876 1.00 1.25 N ATOM 1289 CA TYR A 76 0.732 11.007 7.669 1.00 13.44 C ATOM 1290 C TYR A 76 0.834 10.445 6.243 1.00 13.02 C ATOM 1291 O TYR A 76 -0.189 10.171 5.598 1.00 21.31 O ATOM 1292 CB TYR A 76 1.084 9.921 8.732 1.00 33.42 C ATOM 1293 CG TYR A 76 0.099 8.742 8.842 1.00 14.33 C ATOM 1294 CD1 TYR A 76 -1.075 8.852 9.593 1.00 30.23 C ATOM 1295 CD2 TYR A 76 0.357 7.516 8.225 1.00 63.12 C ATOM 1296 CE1 TYR A 76 -1.943 7.791 9.723 1.00 54.33 C ATOM 1297 CE2 TYR A 76 -0.518 6.462 8.349 1.00 22.51 C ATOM 1298 CZ TYR A 76 -1.662 6.601 9.100 1.00 34.21 C ATOM 1299 OH TYR A 76 -2.519 5.536 9.243 1.00 34.23 O ATOM 0 H TYR A 76 -1.318 11.200 7.249 1.00 1.25 H new ATOM 0 HA TYR A 76 1.465 11.803 7.796 1.00 13.44 H new ATOM 0 HB2 TYR A 76 2.072 9.523 8.503 1.00 33.42 H new ATOM 0 HB3 TYR A 76 1.153 10.404 9.707 1.00 33.42 H new ATOM 0 HD1 TYR A 76 -1.306 9.788 10.081 1.00 30.23 H new ATOM 0 HD2 TYR A 76 1.257 7.394 7.641 1.00 63.12 H new ATOM 0 HE1 TYR A 76 -2.842 7.895 10.313 1.00 54.33 H new ATOM 0 HE2 TYR A 76 -0.307 5.524 7.856 1.00 22.51 H new ATOM 0 HH TYR A 76 -2.811 5.474 10.176 1.00 34.23 H new ATOM 1309 N LYS A 77 2.081 10.273 5.778 1.00 4.33 N ATOM 1310 CA LYS A 77 2.379 9.851 4.402 1.00 51.23 C ATOM 1311 C LYS A 77 2.103 8.349 4.216 1.00 52.40 C ATOM 1312 O LYS A 77 2.668 7.509 4.932 1.00 5.11 O ATOM 1313 CB LYS A 77 3.857 10.164 4.062 1.00 21.41 C ATOM 1314 CG LYS A 77 4.294 9.757 2.635 1.00 71.33 C ATOM 1315 CD LYS A 77 3.568 10.570 1.552 1.00 23.30 C ATOM 1316 CE LYS A 77 3.887 10.110 0.130 1.00 44.34 C ATOM 1317 NZ LYS A 77 5.304 10.345 -0.239 1.00 53.23 N ATOM 0 H LYS A 77 2.913 10.423 6.348 1.00 4.33 H new ATOM 0 HA LYS A 77 1.729 10.405 3.725 1.00 51.23 H new ATOM 0 HB2 LYS A 77 4.025 11.234 4.187 1.00 21.41 H new ATOM 0 HB3 LYS A 77 4.497 9.654 4.782 1.00 21.41 H new ATOM 0 HG2 LYS A 77 5.370 9.898 2.532 1.00 71.33 H new ATOM 0 HG3 LYS A 77 4.095 8.696 2.485 1.00 71.33 H new ATOM 0 HD2 LYS A 77 2.493 10.500 1.716 1.00 23.30 H new ATOM 0 HD3 LYS A 77 3.838 11.621 1.655 1.00 23.30 H new ATOM 0 HE2 LYS A 77 3.662 9.048 0.036 1.00 44.34 H new ATOM 0 HE3 LYS A 77 3.240 10.636 -0.572 1.00 44.34 H new ATOM 0 HZ1 LYS A 77 5.503 9.896 -1.156 1.00 53.23 H new ATOM 0 HZ2 LYS A 77 5.480 11.368 -0.309 1.00 53.23 H new ATOM 0 HZ3 LYS A 77 5.925 9.936 0.489 1.00 53.23 H new ATOM 1331 N VAL A 78 1.223 8.035 3.251 1.00 33.44 N ATOM 1332 CA VAL A 78 0.936 6.655 2.832 1.00 24.12 C ATOM 1333 C VAL A 78 1.174 6.525 1.316 1.00 13.31 C ATOM 1334 O VAL A 78 0.917 7.458 0.542 1.00 44.00 O ATOM 1335 CB VAL A 78 -0.533 6.223 3.203 1.00 35.44 C ATOM 1336 CG1 VAL A 78 -0.844 4.770 2.770 1.00 32.21 C ATOM 1337 CG2 VAL A 78 -0.789 6.407 4.711 1.00 5.22 C ATOM 0 H VAL A 78 0.688 8.736 2.738 1.00 33.44 H new ATOM 0 HA VAL A 78 1.609 5.985 3.368 1.00 24.12 H new ATOM 0 HB VAL A 78 -1.209 6.875 2.649 1.00 35.44 H new ATOM 0 HG11 VAL A 78 -1.868 4.519 3.047 1.00 32.21 H new ATOM 0 HG12 VAL A 78 -0.728 4.679 1.690 1.00 32.21 H new ATOM 0 HG13 VAL A 78 -0.155 4.087 3.267 1.00 32.21 H new ATOM 0 HG21 VAL A 78 -1.809 6.103 4.947 1.00 5.22 H new ATOM 0 HG22 VAL A 78 -0.088 5.793 5.277 1.00 5.22 H new ATOM 0 HG23 VAL A 78 -0.652 7.455 4.978 1.00 5.22 H new ATOM 1347 N PHE A 79 1.691 5.360 0.932 1.00 23.03 N ATOM 1348 CA PHE A 79 2.011 4.990 -0.447 1.00 3.53 C ATOM 1349 C PHE A 79 1.002 3.918 -0.904 1.00 42.14 C ATOM 1350 O PHE A 79 0.353 3.293 -0.064 1.00 51.11 O ATOM 1351 CB PHE A 79 3.453 4.427 -0.478 1.00 33.05 C ATOM 1352 CG PHE A 79 4.498 5.335 0.191 1.00 65.10 C ATOM 1353 CD1 PHE A 79 5.122 6.354 -0.522 1.00 33.11 C ATOM 1354 CD2 PHE A 79 4.841 5.174 1.538 1.00 23.53 C ATOM 1355 CE1 PHE A 79 6.049 7.176 0.083 1.00 50.32 C ATOM 1356 CE2 PHE A 79 5.772 5.999 2.142 1.00 50.14 C ATOM 1357 CZ PHE A 79 6.375 7.002 1.412 1.00 24.52 C ATOM 0 H PHE A 79 1.907 4.618 1.598 1.00 23.03 H new ATOM 0 HA PHE A 79 1.949 5.850 -1.114 1.00 3.53 H new ATOM 0 HB2 PHE A 79 3.463 3.455 0.016 1.00 33.05 H new ATOM 0 HB3 PHE A 79 3.744 4.260 -1.515 1.00 33.05 H new ATOM 0 HD1 PHE A 79 4.877 6.503 -1.563 1.00 33.11 H new ATOM 0 HD2 PHE A 79 4.371 4.392 2.116 1.00 23.53 H new ATOM 0 HE1 PHE A 79 6.523 7.961 -0.487 1.00 50.32 H new ATOM 0 HE2 PHE A 79 6.026 5.858 3.182 1.00 50.14 H new ATOM 0 HZ PHE A 79 7.101 7.650 1.880 1.00 24.52 H new ATOM 1367 N LEU A 80 0.857 3.716 -2.221 1.00 22.53 N ATOM 1368 CA LEU A 80 0.022 2.631 -2.784 1.00 71.35 C ATOM 1369 C LEU A 80 0.604 2.147 -4.114 1.00 52.05 C ATOM 1370 O LEU A 80 0.944 2.952 -4.981 1.00 41.31 O ATOM 1371 CB LEU A 80 -1.468 3.079 -2.949 1.00 4.42 C ATOM 1372 CG LEU A 80 -2.422 2.108 -3.738 1.00 11.25 C ATOM 1373 CD1 LEU A 80 -2.407 0.670 -3.186 1.00 52.22 C ATOM 1374 CD2 LEU A 80 -3.861 2.656 -3.783 1.00 23.13 C ATOM 0 H LEU A 80 1.311 4.294 -2.928 1.00 22.53 H new ATOM 0 HA LEU A 80 0.031 1.799 -2.080 1.00 71.35 H new ATOM 0 HB2 LEU A 80 -1.888 3.233 -1.955 1.00 4.42 H new ATOM 0 HB3 LEU A 80 -1.477 4.046 -3.452 1.00 4.42 H new ATOM 0 HG LEU A 80 -2.033 2.060 -4.755 1.00 11.25 H new ATOM 0 HD11 LEU A 80 -3.084 0.048 -3.771 1.00 52.22 H new ATOM 0 HD12 LEU A 80 -1.397 0.266 -3.251 1.00 52.22 H new ATOM 0 HD13 LEU A 80 -2.729 0.677 -2.145 1.00 52.22 H new ATOM 0 HD21 LEU A 80 -4.497 1.964 -4.335 1.00 23.13 H new ATOM 0 HD22 LEU A 80 -4.240 2.766 -2.767 1.00 23.13 H new ATOM 0 HD23 LEU A 80 -3.865 3.627 -4.279 1.00 23.13 H new ATOM 1386 N LEU A 81 0.713 0.823 -4.255 1.00 1.44 N ATOM 1387 CA LEU A 81 1.157 0.163 -5.483 1.00 33.55 C ATOM 1388 C LEU A 81 0.004 -0.660 -6.057 1.00 15.01 C ATOM 1389 O LEU A 81 -0.560 -1.513 -5.364 1.00 11.32 O ATOM 1390 CB LEU A 81 2.378 -0.745 -5.190 1.00 54.41 C ATOM 1391 CG LEU A 81 3.021 -1.450 -6.419 1.00 73.21 C ATOM 1392 CD1 LEU A 81 3.408 -0.429 -7.509 1.00 53.13 C ATOM 1393 CD2 LEU A 81 4.232 -2.305 -5.987 1.00 45.15 C ATOM 0 H LEU A 81 0.491 0.169 -3.504 1.00 1.44 H new ATOM 0 HA LEU A 81 1.458 0.915 -6.212 1.00 33.55 H new ATOM 0 HB2 LEU A 81 3.144 -0.142 -4.702 1.00 54.41 H new ATOM 0 HB3 LEU A 81 2.072 -1.511 -4.477 1.00 54.41 H new ATOM 0 HG LEU A 81 2.279 -2.120 -6.853 1.00 73.21 H new ATOM 0 HD11 LEU A 81 3.855 -0.952 -8.355 1.00 53.13 H new ATOM 0 HD12 LEU A 81 2.517 0.104 -7.841 1.00 53.13 H new ATOM 0 HD13 LEU A 81 4.126 0.283 -7.102 1.00 53.13 H new ATOM 0 HD21 LEU A 81 4.666 -2.789 -6.862 1.00 45.15 H new ATOM 0 HD22 LEU A 81 4.980 -1.666 -5.517 1.00 45.15 H new ATOM 0 HD23 LEU A 81 3.906 -3.065 -5.277 1.00 45.15 H new ATOM 1405 N LEU A 82 -0.354 -0.378 -7.307 1.00 54.34 N ATOM 1406 CA LEU A 82 -1.390 -1.105 -8.051 1.00 61.14 C ATOM 1407 C LEU A 82 -0.718 -1.882 -9.190 1.00 65.33 C ATOM 1408 O LEU A 82 -0.151 -1.266 -10.085 1.00 60.21 O ATOM 1409 CB LEU A 82 -2.434 -0.095 -8.607 1.00 31.04 C ATOM 1410 CG LEU A 82 -3.249 0.712 -7.547 1.00 53.31 C ATOM 1411 CD1 LEU A 82 -4.168 1.745 -8.220 1.00 32.24 C ATOM 1412 CD2 LEU A 82 -4.053 -0.226 -6.617 1.00 53.11 C ATOM 0 H LEU A 82 0.073 0.376 -7.845 1.00 54.34 H new ATOM 0 HA LEU A 82 -1.910 -1.807 -7.399 1.00 61.14 H new ATOM 0 HB2 LEU A 82 -1.914 0.614 -9.251 1.00 31.04 H new ATOM 0 HB3 LEU A 82 -3.137 -0.641 -9.236 1.00 31.04 H new ATOM 0 HG LEU A 82 -2.534 1.254 -6.929 1.00 53.31 H new ATOM 0 HD11 LEU A 82 -4.722 2.291 -7.457 1.00 32.24 H new ATOM 0 HD12 LEU A 82 -3.566 2.444 -8.801 1.00 32.24 H new ATOM 0 HD13 LEU A 82 -4.868 1.233 -8.880 1.00 32.24 H new ATOM 0 HD21 LEU A 82 -4.608 0.369 -5.892 1.00 53.11 H new ATOM 0 HD22 LEU A 82 -4.750 -0.817 -7.211 1.00 53.11 H new ATOM 0 HD23 LEU A 82 -3.368 -0.892 -6.092 1.00 53.11 H new ATOM 1424 N ALA A 83 -0.750 -3.229 -9.146 1.00 14.54 N ATOM 1425 CA ALA A 83 -0.110 -4.079 -10.179 1.00 65.01 C ATOM 1426 C ALA A 83 -1.073 -5.178 -10.655 1.00 30.34 C ATOM 1427 O ALA A 83 -1.393 -6.094 -9.903 1.00 0.01 O ATOM 1428 CB ALA A 83 1.194 -4.686 -9.637 1.00 42.24 C ATOM 0 H ALA A 83 -1.213 -3.756 -8.405 1.00 14.54 H new ATOM 0 HA ALA A 83 0.134 -3.455 -11.039 1.00 65.01 H new ATOM 0 HB1 ALA A 83 1.653 -5.308 -10.406 1.00 42.24 H new ATOM 0 HB2 ALA A 83 1.880 -3.886 -9.360 1.00 42.24 H new ATOM 0 HB3 ALA A 83 0.975 -5.296 -8.761 1.00 42.24 H new ATOM 1434 N ASP A 84 -1.532 -5.066 -11.903 1.00 35.25 N ATOM 1435 CA ASP A 84 -2.450 -6.037 -12.530 1.00 1.21 C ATOM 1436 C ASP A 84 -2.480 -5.794 -14.038 1.00 4.33 C ATOM 1437 O ASP A 84 -2.254 -4.670 -14.501 1.00 33.23 O ATOM 1438 CB ASP A 84 -3.889 -5.934 -11.923 1.00 43.33 C ATOM 1439 CG ASP A 84 -4.941 -6.867 -12.561 1.00 3.14 C ATOM 1440 OD1 ASP A 84 -4.610 -8.023 -12.904 1.00 3.55 O ATOM 1441 OD2 ASP A 84 -6.109 -6.458 -12.697 1.00 62.15 O ATOM 0 H ASP A 84 -1.278 -4.293 -12.518 1.00 35.25 H new ATOM 0 HA ASP A 84 -2.088 -7.046 -12.331 1.00 1.21 H new ATOM 0 HB2 ASP A 84 -3.832 -6.152 -10.857 1.00 43.33 H new ATOM 0 HB3 ASP A 84 -4.234 -4.904 -12.020 1.00 43.33 H new ATOM 1446 N GLN A 85 -2.768 -6.870 -14.782 1.00 75.22 N ATOM 1447 CA GLN A 85 -2.830 -6.883 -16.251 1.00 40.33 C ATOM 1448 C GLN A 85 -3.981 -6.000 -16.761 1.00 14.02 C ATOM 1449 O GLN A 85 -3.890 -5.429 -17.851 1.00 55.53 O ATOM 1450 CB GLN A 85 -2.955 -8.343 -16.777 1.00 35.03 C ATOM 1451 CG GLN A 85 -1.700 -9.242 -16.580 1.00 73.14 C ATOM 1452 CD GLN A 85 -1.210 -9.368 -15.130 1.00 51.32 C ATOM 1453 OE1 GLN A 85 -1.694 -10.206 -14.376 1.00 32.52 O ATOM 1454 NE2 GLN A 85 -0.258 -8.537 -14.726 1.00 2.42 N ATOM 0 H GLN A 85 -2.970 -7.780 -14.368 1.00 75.22 H new ATOM 0 HA GLN A 85 -1.902 -6.464 -16.640 1.00 40.33 H new ATOM 0 HB2 GLN A 85 -3.801 -8.818 -16.279 1.00 35.03 H new ATOM 0 HB3 GLN A 85 -3.190 -8.307 -17.841 1.00 35.03 H new ATOM 0 HG2 GLN A 85 -1.923 -10.239 -16.960 1.00 73.14 H new ATOM 0 HG3 GLN A 85 -0.888 -8.844 -17.188 1.00 73.14 H new ATOM 0 HE21 GLN A 85 0.127 -7.849 -15.373 1.00 2.42 H new ATOM 0 HE22 GLN A 85 0.089 -8.586 -13.768 1.00 2.42 H new ATOM 1463 N ASP A 86 -5.060 -5.900 -15.959 1.00 4.12 N ATOM 1464 CA ASP A 86 -6.117 -4.900 -16.183 1.00 3.33 C ATOM 1465 C ASP A 86 -5.633 -3.578 -15.556 1.00 64.40 C ATOM 1466 O ASP A 86 -5.965 -3.244 -14.411 1.00 44.54 O ATOM 1467 CB ASP A 86 -7.493 -5.347 -15.593 1.00 74.44 C ATOM 1468 CG ASP A 86 -8.695 -4.481 -16.067 1.00 52.23 C ATOM 1469 OD1 ASP A 86 -8.642 -3.233 -15.975 1.00 13.52 O ATOM 1470 OD2 ASP A 86 -9.703 -5.047 -16.555 1.00 33.11 O ATOM 0 H ASP A 86 -5.220 -6.501 -15.151 1.00 4.12 H new ATOM 0 HA ASP A 86 -6.290 -4.777 -17.252 1.00 3.33 H new ATOM 0 HB2 ASP A 86 -7.675 -6.386 -15.869 1.00 74.44 H new ATOM 0 HB3 ASP A 86 -7.439 -5.311 -14.505 1.00 74.44 H new ATOM 1475 N GLU A 87 -4.786 -2.871 -16.315 1.00 30.33 N ATOM 1476 CA GLU A 87 -4.186 -1.594 -15.892 1.00 35.45 C ATOM 1477 C GLU A 87 -5.202 -0.444 -15.973 1.00 22.25 C ATOM 1478 O GLU A 87 -4.986 0.609 -15.369 1.00 71.53 O ATOM 1479 CB GLU A 87 -2.958 -1.259 -16.769 1.00 1.22 C ATOM 1480 CG GLU A 87 -3.270 -1.030 -18.264 1.00 41.45 C ATOM 1481 CD GLU A 87 -2.124 -0.360 -19.027 1.00 23.00 C ATOM 1482 OE1 GLU A 87 -1.076 -0.999 -19.220 1.00 21.42 O ATOM 1483 OE2 GLU A 87 -2.253 0.827 -19.397 1.00 14.54 O ATOM 0 H GLU A 87 -4.494 -3.169 -17.246 1.00 30.33 H new ATOM 0 HA GLU A 87 -3.872 -1.706 -14.854 1.00 35.45 H new ATOM 0 HB2 GLU A 87 -2.479 -0.364 -16.372 1.00 1.22 H new ATOM 0 HB3 GLU A 87 -2.236 -2.071 -16.684 1.00 1.22 H new ATOM 0 HG2 GLU A 87 -3.497 -1.988 -18.731 1.00 41.45 H new ATOM 0 HG3 GLU A 87 -4.164 -0.413 -18.351 1.00 41.45 H new ATOM 1490 N ASN A 88 -6.299 -0.671 -16.724 1.00 15.44 N ATOM 1491 CA ASN A 88 -7.356 0.332 -16.941 1.00 33.43 C ATOM 1492 C ASN A 88 -8.024 0.702 -15.607 1.00 1.14 C ATOM 1493 O ASN A 88 -8.047 1.876 -15.232 1.00 4.52 O ATOM 1494 CB ASN A 88 -8.407 -0.196 -17.956 1.00 14.24 C ATOM 1495 CG ASN A 88 -9.613 0.739 -18.191 1.00 35.23 C ATOM 1496 OD1 ASN A 88 -10.724 0.272 -18.434 1.00 52.14 O ATOM 1497 ND2 ASN A 88 -9.412 2.055 -18.142 1.00 33.24 N ATOM 0 H ASN A 88 -6.475 -1.557 -17.197 1.00 15.44 H new ATOM 0 HA ASN A 88 -6.902 1.231 -17.358 1.00 33.43 H new ATOM 0 HB2 ASN A 88 -7.912 -0.372 -18.911 1.00 14.24 H new ATOM 0 HB3 ASN A 88 -8.776 -1.160 -17.606 1.00 14.24 H new ATOM 0 HD21 ASN A 88 -10.188 2.696 -18.308 1.00 33.24 H new ATOM 0 HD22 ASN A 88 -8.482 2.422 -17.939 1.00 33.24 H new ATOM 1504 N GLU A 89 -8.515 -0.327 -14.886 1.00 42.34 N ATOM 1505 CA GLU A 89 -9.207 -0.165 -13.593 1.00 13.33 C ATOM 1506 C GLU A 89 -8.268 0.467 -12.551 1.00 53.02 C ATOM 1507 O GLU A 89 -8.689 1.307 -11.738 1.00 41.41 O ATOM 1508 CB GLU A 89 -9.725 -1.538 -13.090 1.00 41.24 C ATOM 1509 CG GLU A 89 -10.475 -1.485 -11.747 1.00 12.34 C ATOM 1510 CD GLU A 89 -10.981 -2.858 -11.294 1.00 14.24 C ATOM 1511 OE1 GLU A 89 -10.190 -3.633 -10.724 1.00 64.42 O ATOM 1512 OE2 GLU A 89 -12.164 -3.180 -11.528 1.00 35.21 O ATOM 0 H GLU A 89 -8.441 -1.299 -15.187 1.00 42.34 H new ATOM 0 HA GLU A 89 -10.058 0.501 -13.736 1.00 13.33 H new ATOM 0 HB2 GLU A 89 -10.388 -1.961 -13.845 1.00 41.24 H new ATOM 0 HB3 GLU A 89 -8.878 -2.218 -12.992 1.00 41.24 H new ATOM 0 HG2 GLU A 89 -9.814 -1.077 -10.983 1.00 12.34 H new ATOM 0 HG3 GLU A 89 -11.320 -0.802 -11.835 1.00 12.34 H new ATOM 1519 N LEU A 90 -6.986 0.063 -12.611 1.00 14.21 N ATOM 1520 CA LEU A 90 -5.934 0.590 -11.732 1.00 35.13 C ATOM 1521 C LEU A 90 -5.713 2.088 -11.986 1.00 34.13 C ATOM 1522 O LEU A 90 -5.566 2.858 -11.045 1.00 33.43 O ATOM 1523 CB LEU A 90 -4.601 -0.159 -11.949 1.00 62.14 C ATOM 1524 CG LEU A 90 -4.620 -1.701 -11.749 1.00 24.44 C ATOM 1525 CD1 LEU A 90 -3.216 -2.282 -11.989 1.00 31.23 C ATOM 1526 CD2 LEU A 90 -5.175 -2.098 -10.360 1.00 53.12 C ATOM 0 H LEU A 90 -6.653 -0.639 -13.272 1.00 14.21 H new ATOM 0 HA LEU A 90 -6.264 0.440 -10.704 1.00 35.13 H new ATOM 0 HB2 LEU A 90 -4.257 0.047 -12.962 1.00 62.14 H new ATOM 0 HB3 LEU A 90 -3.861 0.262 -11.269 1.00 62.14 H new ATOM 0 HG LEU A 90 -5.300 -2.130 -12.485 1.00 24.44 H new ATOM 0 HD11 LEU A 90 -3.240 -3.362 -11.846 1.00 31.23 H new ATOM 0 HD12 LEU A 90 -2.898 -2.057 -13.007 1.00 31.23 H new ATOM 0 HD13 LEU A 90 -2.513 -1.839 -11.284 1.00 31.23 H new ATOM 0 HD21 LEU A 90 -5.170 -3.184 -10.263 1.00 53.12 H new ATOM 0 HD22 LEU A 90 -4.551 -1.661 -9.580 1.00 53.12 H new ATOM 0 HD23 LEU A 90 -6.195 -1.729 -10.257 1.00 53.12 H new ATOM 1538 N GLU A 91 -5.710 2.475 -13.279 1.00 72.43 N ATOM 1539 CA GLU A 91 -5.400 3.850 -13.708 1.00 32.33 C ATOM 1540 C GLU A 91 -6.525 4.813 -13.298 1.00 74.30 C ATOM 1541 O GLU A 91 -6.270 5.981 -12.983 1.00 60.45 O ATOM 1542 CB GLU A 91 -5.132 3.929 -15.233 1.00 52.31 C ATOM 1543 CG GLU A 91 -4.491 5.259 -15.666 1.00 43.30 C ATOM 1544 CD GLU A 91 -4.073 5.292 -17.136 1.00 3.41 C ATOM 1545 OE1 GLU A 91 -4.914 5.616 -17.999 1.00 41.42 O ATOM 1546 OE2 GLU A 91 -2.905 4.975 -17.442 1.00 34.34 O ATOM 0 H GLU A 91 -5.922 1.843 -14.051 1.00 72.43 H new ATOM 0 HA GLU A 91 -4.484 4.154 -13.201 1.00 32.33 H new ATOM 0 HB2 GLU A 91 -4.479 3.106 -15.524 1.00 52.31 H new ATOM 0 HB3 GLU A 91 -6.072 3.794 -15.768 1.00 52.31 H new ATOM 0 HG2 GLU A 91 -5.196 6.069 -15.480 1.00 43.30 H new ATOM 0 HG3 GLU A 91 -3.616 5.449 -15.045 1.00 43.30 H new ATOM 1553 N GLU A 92 -7.764 4.306 -13.291 1.00 14.01 N ATOM 1554 CA GLU A 92 -8.917 5.067 -12.790 1.00 45.12 C ATOM 1555 C GLU A 92 -8.765 5.251 -11.277 1.00 23.45 C ATOM 1556 O GLU A 92 -8.730 6.378 -10.785 1.00 74.43 O ATOM 1557 CB GLU A 92 -10.266 4.356 -13.122 1.00 45.33 C ATOM 1558 CG GLU A 92 -10.410 3.853 -14.574 1.00 23.34 C ATOM 1559 CD GLU A 92 -10.021 4.888 -15.644 1.00 43.25 C ATOM 1560 OE1 GLU A 92 -10.805 5.830 -15.887 1.00 55.10 O ATOM 1561 OE2 GLU A 92 -8.926 4.776 -16.246 1.00 40.41 O ATOM 0 H GLU A 92 -7.995 3.371 -13.627 1.00 14.01 H new ATOM 0 HA GLU A 92 -8.939 6.038 -13.284 1.00 45.12 H new ATOM 0 HB2 GLU A 92 -10.385 3.508 -12.448 1.00 45.33 H new ATOM 0 HB3 GLU A 92 -11.082 5.047 -12.912 1.00 45.33 H new ATOM 0 HG2 GLU A 92 -9.791 2.965 -14.702 1.00 23.34 H new ATOM 0 HG3 GLU A 92 -11.443 3.547 -14.740 1.00 23.34 H new ATOM 1568 N PHE A 93 -8.592 4.112 -10.579 1.00 52.55 N ATOM 1569 CA PHE A 93 -8.541 4.039 -9.106 1.00 24.34 C ATOM 1570 C PHE A 93 -7.420 4.917 -8.508 1.00 10.15 C ATOM 1571 O PHE A 93 -7.630 5.593 -7.495 1.00 43.10 O ATOM 1572 CB PHE A 93 -8.382 2.563 -8.650 1.00 41.30 C ATOM 1573 CG PHE A 93 -8.464 2.363 -7.132 1.00 61.51 C ATOM 1574 CD1 PHE A 93 -9.666 2.573 -6.454 1.00 12.21 C ATOM 1575 CD2 PHE A 93 -7.348 1.980 -6.387 1.00 23.23 C ATOM 1576 CE1 PHE A 93 -9.743 2.415 -5.085 1.00 63.12 C ATOM 1577 CE2 PHE A 93 -7.428 1.819 -5.021 1.00 32.11 C ATOM 1578 CZ PHE A 93 -8.624 2.034 -4.370 1.00 24.41 C ATOM 0 H PHE A 93 -8.482 3.203 -11.029 1.00 52.55 H new ATOM 0 HA PHE A 93 -9.484 4.434 -8.729 1.00 24.34 H new ATOM 0 HB2 PHE A 93 -9.156 1.962 -9.127 1.00 41.30 H new ATOM 0 HB3 PHE A 93 -7.422 2.186 -9.004 1.00 41.30 H new ATOM 0 HD1 PHE A 93 -10.547 2.863 -7.008 1.00 12.21 H new ATOM 0 HD2 PHE A 93 -6.407 1.807 -6.889 1.00 23.23 H new ATOM 0 HE1 PHE A 93 -10.678 2.589 -4.573 1.00 63.12 H new ATOM 0 HE2 PHE A 93 -6.553 1.524 -4.460 1.00 32.11 H new ATOM 0 HZ PHE A 93 -8.686 1.904 -3.300 1.00 24.41 H new ATOM 1588 N LYS A 94 -6.244 4.921 -9.164 1.00 64.21 N ATOM 1589 CA LYS A 94 -5.059 5.660 -8.678 1.00 34.23 C ATOM 1590 C LYS A 94 -5.279 7.173 -8.754 1.00 1.32 C ATOM 1591 O LYS A 94 -4.691 7.919 -7.978 1.00 55.10 O ATOM 1592 CB LYS A 94 -3.756 5.231 -9.426 1.00 12.53 C ATOM 1593 CG LYS A 94 -3.687 5.472 -10.958 1.00 43.21 C ATOM 1594 CD LYS A 94 -3.279 6.900 -11.387 1.00 74.42 C ATOM 1595 CE LYS A 94 -1.890 7.319 -10.882 1.00 12.24 C ATOM 1596 NZ LYS A 94 -1.533 8.677 -11.373 1.00 21.51 N ATOM 0 H LYS A 94 -6.087 4.418 -10.037 1.00 64.21 H new ATOM 0 HA LYS A 94 -4.923 5.398 -7.629 1.00 34.23 H new ATOM 0 HB2 LYS A 94 -2.918 5.756 -8.967 1.00 12.53 H new ATOM 0 HB3 LYS A 94 -3.602 4.167 -9.247 1.00 12.53 H new ATOM 0 HG2 LYS A 94 -2.978 4.765 -11.388 1.00 43.21 H new ATOM 0 HG3 LYS A 94 -4.663 5.246 -11.388 1.00 43.21 H new ATOM 0 HD2 LYS A 94 -3.295 6.962 -12.475 1.00 74.42 H new ATOM 0 HD3 LYS A 94 -4.020 7.608 -11.016 1.00 74.42 H new ATOM 0 HE2 LYS A 94 -1.876 7.307 -9.792 1.00 12.24 H new ATOM 0 HE3 LYS A 94 -1.144 6.599 -11.218 1.00 12.24 H new ATOM 0 HZ1 LYS A 94 -0.726 8.609 -12.026 1.00 21.51 H new ATOM 0 HZ2 LYS A 94 -2.347 9.091 -11.870 1.00 21.51 H new ATOM 0 HZ3 LYS A 94 -1.276 9.281 -10.567 1.00 21.51 H new ATOM 1610 N ARG A 95 -6.112 7.619 -9.712 1.00 61.44 N ATOM 1611 CA ARG A 95 -6.474 9.038 -9.838 1.00 21.52 C ATOM 1612 C ARG A 95 -7.261 9.496 -8.597 1.00 62.44 C ATOM 1613 O ARG A 95 -7.044 10.608 -8.105 1.00 72.23 O ATOM 1614 CB ARG A 95 -7.276 9.306 -11.138 1.00 70.13 C ATOM 1615 CG ARG A 95 -6.471 9.156 -12.447 1.00 71.33 C ATOM 1616 CD ARG A 95 -7.324 9.445 -13.696 1.00 70.34 C ATOM 1617 NE ARG A 95 -6.586 9.226 -14.956 1.00 33.53 N ATOM 1618 CZ ARG A 95 -6.742 8.168 -15.769 1.00 50.23 C ATOM 1619 NH1 ARG A 95 -7.601 7.206 -15.469 1.00 72.33 N ATOM 1620 NH2 ARG A 95 -6.045 8.094 -16.890 1.00 1.33 N ATOM 0 H ARG A 95 -6.546 7.015 -10.410 1.00 61.44 H new ATOM 0 HA ARG A 95 -5.555 9.620 -9.901 1.00 21.52 H new ATOM 0 HB2 ARG A 95 -8.124 8.622 -11.171 1.00 70.13 H new ATOM 0 HB3 ARG A 95 -7.683 10.316 -11.094 1.00 70.13 H new ATOM 0 HG2 ARG A 95 -5.619 9.836 -12.427 1.00 71.33 H new ATOM 0 HG3 ARG A 95 -6.070 8.144 -12.510 1.00 71.33 H new ATOM 0 HD2 ARG A 95 -8.208 8.807 -13.682 1.00 70.34 H new ATOM 0 HD3 ARG A 95 -7.675 10.476 -13.660 1.00 70.34 H new ATOM 0 HE ARG A 95 -5.904 9.933 -15.231 1.00 33.53 H new ATOM 0 HH11 ARG A 95 -8.153 7.264 -14.613 1.00 72.33 H new ATOM 0 HH12 ARG A 95 -7.711 6.407 -16.094 1.00 72.33 H new ATOM 0 HH21 ARG A 95 -5.392 8.838 -17.135 1.00 1.33 H new ATOM 0 HH22 ARG A 95 -6.160 7.292 -17.510 1.00 1.33 H new ATOM 1634 N LYS A 96 -8.139 8.609 -8.078 1.00 52.22 N ATOM 1635 CA LYS A 96 -8.895 8.861 -6.831 1.00 35.41 C ATOM 1636 C LYS A 96 -7.916 9.012 -5.658 1.00 71.31 C ATOM 1637 O LYS A 96 -7.953 10.006 -4.948 1.00 70.13 O ATOM 1638 CB LYS A 96 -9.924 7.730 -6.502 1.00 23.41 C ATOM 1639 CG LYS A 96 -11.192 7.679 -7.391 1.00 64.13 C ATOM 1640 CD LYS A 96 -10.909 7.234 -8.834 1.00 41.00 C ATOM 1641 CE LYS A 96 -12.176 7.108 -9.693 1.00 62.04 C ATOM 1642 NZ LYS A 96 -12.904 8.395 -9.828 1.00 45.41 N ATOM 0 H LYS A 96 -8.342 7.706 -8.507 1.00 52.22 H new ATOM 0 HA LYS A 96 -9.462 9.780 -6.983 1.00 35.41 H new ATOM 0 HB2 LYS A 96 -9.414 6.770 -6.578 1.00 23.41 H new ATOM 0 HB3 LYS A 96 -10.237 7.843 -5.464 1.00 23.41 H new ATOM 0 HG2 LYS A 96 -11.913 6.996 -6.943 1.00 64.13 H new ATOM 0 HG3 LYS A 96 -11.655 8.666 -7.407 1.00 64.13 H new ATOM 0 HD2 LYS A 96 -10.232 7.950 -9.301 1.00 41.00 H new ATOM 0 HD3 LYS A 96 -10.394 6.273 -8.816 1.00 41.00 H new ATOM 0 HE2 LYS A 96 -11.904 6.743 -10.683 1.00 62.04 H new ATOM 0 HE3 LYS A 96 -12.839 6.365 -9.250 1.00 62.04 H new ATOM 0 HZ1 LYS A 96 -13.712 8.271 -10.471 1.00 45.41 H new ATOM 0 HZ2 LYS A 96 -13.248 8.699 -8.895 1.00 45.41 H new ATOM 0 HZ3 LYS A 96 -12.263 9.118 -10.213 1.00 45.41 H new ATOM 1656 N ILE A 97 -7.010 8.027 -5.520 1.00 13.33 N ATOM 1657 CA ILE A 97 -6.060 7.932 -4.389 1.00 34.52 C ATOM 1658 C ILE A 97 -5.074 9.126 -4.375 1.00 21.24 C ATOM 1659 O ILE A 97 -4.680 9.619 -3.303 1.00 32.44 O ATOM 1660 CB ILE A 97 -5.278 6.567 -4.442 1.00 62.42 C ATOM 1661 CG1 ILE A 97 -6.276 5.363 -4.492 1.00 71.11 C ATOM 1662 CG2 ILE A 97 -4.280 6.419 -3.268 1.00 64.43 C ATOM 1663 CD1 ILE A 97 -7.242 5.250 -3.312 1.00 11.22 C ATOM 0 H ILE A 97 -6.913 7.267 -6.194 1.00 13.33 H new ATOM 0 HA ILE A 97 -6.636 7.969 -3.465 1.00 34.52 H new ATOM 0 HB ILE A 97 -4.687 6.564 -5.358 1.00 62.42 H new ATOM 0 HG12 ILE A 97 -6.860 5.437 -5.409 1.00 71.11 H new ATOM 0 HG13 ILE A 97 -5.700 4.440 -4.555 1.00 71.11 H new ATOM 0 HG21 ILE A 97 -3.764 5.462 -3.347 1.00 64.43 H new ATOM 0 HG22 ILE A 97 -3.551 7.228 -3.306 1.00 64.43 H new ATOM 0 HG23 ILE A 97 -4.821 6.462 -2.323 1.00 64.43 H new ATOM 0 HD11 ILE A 97 -7.886 4.382 -3.451 1.00 11.22 H new ATOM 0 HD12 ILE A 97 -6.676 5.137 -2.388 1.00 11.22 H new ATOM 0 HD13 ILE A 97 -7.854 6.150 -3.255 1.00 11.22 H new ATOM 1675 N GLU A 98 -4.712 9.600 -5.577 1.00 50.35 N ATOM 1676 CA GLU A 98 -3.812 10.755 -5.759 1.00 31.34 C ATOM 1677 C GLU A 98 -4.563 12.061 -5.412 1.00 4.42 C ATOM 1678 O GLU A 98 -3.973 13.010 -4.884 1.00 31.42 O ATOM 1679 CB GLU A 98 -3.259 10.770 -7.215 1.00 1.34 C ATOM 1680 CG GLU A 98 -2.017 11.655 -7.430 1.00 50.30 C ATOM 1681 CD GLU A 98 -1.392 11.459 -8.820 1.00 41.11 C ATOM 1682 OE1 GLU A 98 -0.802 10.380 -9.070 1.00 4.44 O ATOM 1683 OE2 GLU A 98 -1.516 12.352 -9.684 1.00 2.00 O ATOM 0 H GLU A 98 -5.035 9.193 -6.455 1.00 50.35 H new ATOM 0 HA GLU A 98 -2.960 10.673 -5.084 1.00 31.34 H new ATOM 0 HB2 GLU A 98 -3.013 9.748 -7.505 1.00 1.34 H new ATOM 0 HB3 GLU A 98 -4.049 11.110 -7.884 1.00 1.34 H new ATOM 0 HG2 GLU A 98 -2.294 12.702 -7.303 1.00 50.30 H new ATOM 0 HG3 GLU A 98 -1.275 11.427 -6.665 1.00 50.30 H new ATOM 1690 N SER A 99 -5.887 12.068 -5.669 1.00 34.44 N ATOM 1691 CA SER A 99 -6.791 13.183 -5.289 1.00 75.43 C ATOM 1692 C SER A 99 -7.175 13.106 -3.792 1.00 12.43 C ATOM 1693 O SER A 99 -7.679 14.077 -3.223 1.00 51.13 O ATOM 1694 CB SER A 99 -8.056 13.165 -6.177 1.00 11.13 C ATOM 1695 OG SER A 99 -7.717 13.337 -7.547 1.00 40.01 O ATOM 0 H SER A 99 -6.364 11.303 -6.146 1.00 34.44 H new ATOM 0 HA SER A 99 -6.262 14.123 -5.447 1.00 75.43 H new ATOM 0 HB2 SER A 99 -8.584 12.221 -6.045 1.00 11.13 H new ATOM 0 HB3 SER A 99 -8.736 13.957 -5.864 1.00 11.13 H new ATOM 0 HG SER A 99 -7.447 12.475 -7.928 1.00 40.01 H new ATOM 1701 N GLN A 100 -6.934 11.933 -3.172 1.00 44.35 N ATOM 1702 CA GLN A 100 -7.068 11.736 -1.712 1.00 33.31 C ATOM 1703 C GLN A 100 -5.784 12.206 -0.990 1.00 11.41 C ATOM 1704 O GLN A 100 -5.773 12.348 0.239 1.00 40.14 O ATOM 1705 CB GLN A 100 -7.388 10.245 -1.396 1.00 63.23 C ATOM 1706 CG GLN A 100 -8.750 9.758 -1.943 1.00 75.32 C ATOM 1707 CD GLN A 100 -9.001 8.249 -1.785 1.00 44.44 C ATOM 1708 OE1 GLN A 100 -9.635 7.630 -2.635 1.00 73.01 O ATOM 1709 NE2 GLN A 100 -8.536 7.652 -0.691 1.00 1.32 N ATOM 0 H GLN A 100 -6.640 11.093 -3.670 1.00 44.35 H new ATOM 0 HA GLN A 100 -7.898 12.339 -1.344 1.00 33.31 H new ATOM 0 HB2 GLN A 100 -6.598 9.620 -1.812 1.00 63.23 H new ATOM 0 HB3 GLN A 100 -7.372 10.103 -0.315 1.00 63.23 H new ATOM 0 HG2 GLN A 100 -9.546 10.301 -1.434 1.00 75.32 H new ATOM 0 HG3 GLN A 100 -8.815 10.015 -3.000 1.00 75.32 H new ATOM 0 HE21 GLN A 100 -8.012 8.189 -0.000 1.00 1.32 H new ATOM 0 HE22 GLN A 100 -8.703 6.657 -0.543 1.00 1.32 H new ATOM 1718 N GLY A 101 -4.715 12.446 -1.785 1.00 2.14 N ATOM 1719 CA GLY A 101 -3.475 13.051 -1.292 1.00 53.00 C ATOM 1720 C GLY A 101 -2.445 12.021 -0.876 1.00 10.00 C ATOM 1721 O GLY A 101 -1.843 12.130 0.201 1.00 75.31 O ATOM 0 H GLY A 101 -4.697 12.224 -2.780 1.00 2.14 H new ATOM 0 HA2 GLY A 101 -3.052 13.687 -2.069 1.00 53.00 H new ATOM 0 HA3 GLY A 101 -3.703 13.694 -0.442 1.00 53.00 H new ATOM 1725 N TYR A 102 -2.234 10.995 -1.732 1.00 74.13 N ATOM 1726 CA TYR A 102 -1.280 9.893 -1.462 1.00 71.44 C ATOM 1727 C TYR A 102 -0.430 9.598 -2.700 1.00 34.25 C ATOM 1728 O TYR A 102 -0.866 9.836 -3.835 1.00 61.15 O ATOM 1729 CB TYR A 102 -2.036 8.614 -1.016 1.00 12.45 C ATOM 1730 CG TYR A 102 -2.892 8.828 0.236 1.00 73.24 C ATOM 1731 CD1 TYR A 102 -2.300 8.926 1.499 1.00 34.02 C ATOM 1732 CD2 TYR A 102 -4.276 8.976 0.156 1.00 63.21 C ATOM 1733 CE1 TYR A 102 -3.060 9.153 2.626 1.00 12.11 C ATOM 1734 CE2 TYR A 102 -5.033 9.210 1.283 1.00 14.31 C ATOM 1735 CZ TYR A 102 -4.422 9.294 2.511 1.00 63.00 C ATOM 1736 OH TYR A 102 -5.177 9.518 3.625 1.00 22.21 O ATOM 0 H TYR A 102 -2.718 10.907 -2.626 1.00 74.13 H new ATOM 0 HA TYR A 102 -0.619 10.207 -0.654 1.00 71.44 H new ATOM 0 HB2 TYR A 102 -2.674 8.273 -1.831 1.00 12.45 H new ATOM 0 HB3 TYR A 102 -1.314 7.821 -0.824 1.00 12.45 H new ATOM 0 HD1 TYR A 102 -1.229 8.822 1.593 1.00 34.02 H new ATOM 0 HD2 TYR A 102 -4.763 8.906 -0.806 1.00 63.21 H new ATOM 0 HE1 TYR A 102 -2.587 9.220 3.595 1.00 12.11 H new ATOM 0 HE2 TYR A 102 -6.104 9.327 1.202 1.00 14.31 H new ATOM 0 HH TYR A 102 -6.027 9.037 3.546 1.00 22.21 H new ATOM 1746 N GLU A 103 0.792 9.081 -2.457 1.00 13.44 N ATOM 1747 CA GLU A 103 1.707 8.663 -3.528 1.00 4.31 C ATOM 1748 C GLU A 103 1.295 7.273 -4.015 1.00 74.14 C ATOM 1749 O GLU A 103 1.563 6.268 -3.359 1.00 73.15 O ATOM 1750 CB GLU A 103 3.184 8.665 -3.044 1.00 62.34 C ATOM 1751 CG GLU A 103 4.204 8.198 -4.117 1.00 10.34 C ATOM 1752 CD GLU A 103 5.689 8.287 -3.712 1.00 42.32 C ATOM 1753 OE1 GLU A 103 6.035 9.043 -2.780 1.00 75.45 O ATOM 1754 OE2 GLU A 103 6.526 7.631 -4.373 1.00 35.30 O ATOM 0 H GLU A 103 1.166 8.944 -1.518 1.00 13.44 H new ATOM 0 HA GLU A 103 1.641 9.374 -4.352 1.00 4.31 H new ATOM 0 HB2 GLU A 103 3.448 9.672 -2.722 1.00 62.34 H new ATOM 0 HB3 GLU A 103 3.270 8.018 -2.171 1.00 62.34 H new ATOM 0 HG2 GLU A 103 3.979 7.164 -4.380 1.00 10.34 H new ATOM 0 HG3 GLU A 103 4.056 8.795 -5.017 1.00 10.34 H new ATOM 1761 N VAL A 104 0.622 7.235 -5.167 1.00 13.04 N ATOM 1762 CA VAL A 104 0.105 6.000 -5.752 1.00 3.20 C ATOM 1763 C VAL A 104 0.693 5.801 -7.152 1.00 2.44 C ATOM 1764 O VAL A 104 0.650 6.710 -8.001 1.00 14.13 O ATOM 1765 CB VAL A 104 -1.460 6.001 -5.793 1.00 20.33 C ATOM 1766 CG1 VAL A 104 -2.017 7.246 -6.513 1.00 23.45 C ATOM 1767 CG2 VAL A 104 -2.010 4.684 -6.400 1.00 3.01 C ATOM 0 H VAL A 104 0.420 8.066 -5.722 1.00 13.04 H new ATOM 0 HA VAL A 104 0.411 5.165 -5.122 1.00 3.20 H new ATOM 0 HB VAL A 104 -1.812 6.054 -4.763 1.00 20.33 H new ATOM 0 HG11 VAL A 104 -3.106 7.206 -6.519 1.00 23.45 H new ATOM 0 HG12 VAL A 104 -1.689 8.145 -5.991 1.00 23.45 H new ATOM 0 HG13 VAL A 104 -1.649 7.268 -7.539 1.00 23.45 H new ATOM 0 HG21 VAL A 104 -3.099 4.717 -6.414 1.00 3.01 H new ATOM 0 HG22 VAL A 104 -1.637 4.569 -7.418 1.00 3.01 H new ATOM 0 HG23 VAL A 104 -1.680 3.839 -5.795 1.00 3.01 H new ATOM 1777 N ARG A 105 1.287 4.628 -7.386 1.00 73.44 N ATOM 1778 CA ARG A 105 1.885 4.275 -8.675 1.00 63.42 C ATOM 1779 C ARG A 105 1.095 3.128 -9.311 1.00 51.41 C ATOM 1780 O ARG A 105 0.669 2.193 -8.622 1.00 71.22 O ATOM 1781 CB ARG A 105 3.373 3.889 -8.499 1.00 50.14 C ATOM 1782 CG ARG A 105 4.221 4.914 -7.719 1.00 31.34 C ATOM 1783 CD ARG A 105 4.326 6.297 -8.364 1.00 72.43 C ATOM 1784 NE ARG A 105 5.053 7.238 -7.497 1.00 34.41 N ATOM 1785 CZ ARG A 105 5.650 8.366 -7.895 1.00 61.45 C ATOM 1786 NH1 ARG A 105 5.622 8.744 -9.172 1.00 52.14 N ATOM 1787 NH2 ARG A 105 6.274 9.122 -7.009 1.00 54.13 N ATOM 0 H ARG A 105 1.367 3.893 -6.683 1.00 73.44 H new ATOM 0 HA ARG A 105 1.842 5.140 -9.336 1.00 63.42 H new ATOM 0 HB2 ARG A 105 3.426 2.929 -7.985 1.00 50.14 H new ATOM 0 HB3 ARG A 105 3.816 3.748 -9.485 1.00 50.14 H new ATOM 0 HG2 ARG A 105 3.798 5.027 -6.721 1.00 31.34 H new ATOM 0 HG3 ARG A 105 5.226 4.511 -7.595 1.00 31.34 H new ATOM 0 HD2 ARG A 105 4.836 6.215 -9.324 1.00 72.43 H new ATOM 0 HD3 ARG A 105 3.327 6.683 -8.566 1.00 72.43 H new ATOM 0 HE ARG A 105 5.106 7.009 -6.504 1.00 34.41 H new ATOM 0 HH11 ARG A 105 5.140 8.170 -9.863 1.00 52.14 H new ATOM 0 HH12 ARG A 105 6.083 9.608 -9.458 1.00 52.14 H new ATOM 0 HH21 ARG A 105 6.298 8.844 -6.028 1.00 54.13 H new ATOM 0 HH22 ARG A 105 6.732 9.984 -7.306 1.00 54.13 H new ATOM 1801 N LYS A 106 0.916 3.226 -10.622 1.00 22.13 N ATOM 1802 CA LYS A 106 0.136 2.288 -11.430 1.00 30.11 C ATOM 1803 C LYS A 106 1.102 1.526 -12.353 1.00 52.44 C ATOM 1804 O LYS A 106 1.768 2.117 -13.208 1.00 44.35 O ATOM 1805 CB LYS A 106 -0.964 3.098 -12.191 1.00 14.45 C ATOM 1806 CG LYS A 106 -1.713 2.369 -13.347 1.00 21.14 C ATOM 1807 CD LYS A 106 -1.078 2.653 -14.729 1.00 43.43 C ATOM 1808 CE LYS A 106 -1.896 2.100 -15.893 1.00 23.24 C ATOM 1809 NZ LYS A 106 -1.344 2.521 -17.207 1.00 3.23 N ATOM 0 H LYS A 106 1.321 3.983 -11.173 1.00 22.13 H new ATOM 0 HA LYS A 106 -0.380 1.540 -10.828 1.00 30.11 H new ATOM 0 HB2 LYS A 106 -1.705 3.428 -11.463 1.00 14.45 H new ATOM 0 HB3 LYS A 106 -0.500 3.995 -12.602 1.00 14.45 H new ATOM 0 HG2 LYS A 106 -1.707 1.295 -13.161 1.00 21.14 H new ATOM 0 HG3 LYS A 106 -2.756 2.685 -13.357 1.00 21.14 H new ATOM 0 HD2 LYS A 106 -0.963 3.730 -14.854 1.00 43.43 H new ATOM 0 HD3 LYS A 106 -0.078 2.220 -14.758 1.00 43.43 H new ATOM 0 HE2 LYS A 106 -1.915 1.012 -15.839 1.00 23.24 H new ATOM 0 HE3 LYS A 106 -2.928 2.441 -15.806 1.00 23.24 H new ATOM 0 HZ1 LYS A 106 -1.717 1.902 -17.955 1.00 3.23 H new ATOM 0 HZ2 LYS A 106 -1.621 3.504 -17.401 1.00 3.23 H new ATOM 0 HZ3 LYS A 106 -0.307 2.451 -17.186 1.00 3.23 H new ATOM 1823 N VAL A 107 1.192 0.212 -12.128 1.00 44.20 N ATOM 1824 CA VAL A 107 2.100 -0.706 -12.842 1.00 54.21 C ATOM 1825 C VAL A 107 1.329 -1.993 -13.221 1.00 34.23 C ATOM 1826 O VAL A 107 0.122 -2.104 -12.971 1.00 73.11 O ATOM 1827 CB VAL A 107 3.393 -1.044 -11.985 1.00 61.24 C ATOM 1828 CG1 VAL A 107 4.183 0.231 -11.588 1.00 53.44 C ATOM 1829 CG2 VAL A 107 3.069 -1.897 -10.747 1.00 11.34 C ATOM 0 H VAL A 107 0.622 -0.261 -11.426 1.00 44.20 H new ATOM 0 HA VAL A 107 2.449 -0.214 -13.750 1.00 54.21 H new ATOM 0 HB VAL A 107 4.035 -1.641 -12.633 1.00 61.24 H new ATOM 0 HG11 VAL A 107 5.059 -0.051 -11.003 1.00 53.44 H new ATOM 0 HG12 VAL A 107 4.502 0.757 -12.488 1.00 53.44 H new ATOM 0 HG13 VAL A 107 3.544 0.884 -10.993 1.00 53.44 H new ATOM 0 HG21 VAL A 107 3.987 -2.101 -10.195 1.00 11.34 H new ATOM 0 HG22 VAL A 107 2.372 -1.358 -10.106 1.00 11.34 H new ATOM 0 HG23 VAL A 107 2.618 -2.838 -11.062 1.00 11.34 H new ATOM 1839 N THR A 108 2.031 -2.959 -13.842 1.00 3.40 N ATOM 1840 CA THR A 108 1.438 -4.226 -14.319 1.00 3.51 C ATOM 1841 C THR A 108 2.341 -5.432 -13.960 1.00 75.15 C ATOM 1842 O THR A 108 1.847 -6.473 -13.489 1.00 21.30 O ATOM 1843 CB THR A 108 1.209 -4.189 -15.875 1.00 40.21 C ATOM 1844 OG1 THR A 108 2.410 -3.764 -16.535 1.00 54.14 O ATOM 1845 CG2 THR A 108 0.059 -3.267 -16.301 1.00 51.44 C ATOM 0 H THR A 108 3.031 -2.884 -14.029 1.00 3.40 H new ATOM 0 HA THR A 108 0.476 -4.343 -13.820 1.00 3.51 H new ATOM 0 HB THR A 108 0.938 -5.204 -16.167 1.00 40.21 H new ATOM 0 HG1 THR A 108 3.038 -4.514 -16.586 1.00 54.14 H new ATOM 0 HG21 THR A 108 -0.043 -3.290 -17.386 1.00 51.44 H new ATOM 0 HG22 THR A 108 -0.869 -3.607 -15.842 1.00 51.44 H new ATOM 0 HG23 THR A 108 0.271 -2.248 -15.978 1.00 51.44 H new ATOM 1853 N ASP A 109 3.663 -5.274 -14.185 1.00 51.32 N ATOM 1854 CA ASP A 109 4.653 -6.381 -14.083 1.00 55.13 C ATOM 1855 C ASP A 109 5.269 -6.508 -12.685 1.00 51.32 C ATOM 1856 O ASP A 109 5.173 -5.596 -11.855 1.00 72.21 O ATOM 1857 CB ASP A 109 5.773 -6.193 -15.138 1.00 50.21 C ATOM 1858 CG ASP A 109 5.260 -6.317 -16.575 1.00 23.50 C ATOM 1859 OD1 ASP A 109 5.184 -7.447 -17.102 1.00 64.31 O ATOM 1860 OD2 ASP A 109 4.897 -5.289 -17.177 1.00 14.54 O ATOM 0 H ASP A 109 4.079 -4.379 -14.442 1.00 51.32 H new ATOM 0 HA ASP A 109 4.110 -7.306 -14.276 1.00 55.13 H new ATOM 0 HB2 ASP A 109 6.232 -5.213 -15.004 1.00 50.21 H new ATOM 0 HB3 ASP A 109 6.553 -6.936 -14.970 1.00 50.21 H new ATOM 1865 N ASP A 110 5.949 -7.661 -12.486 1.00 22.35 N ATOM 1866 CA ASP A 110 6.643 -8.031 -11.237 1.00 13.34 C ATOM 1867 C ASP A 110 7.886 -7.164 -11.026 1.00 54.40 C ATOM 1868 O ASP A 110 7.996 -6.462 -10.020 1.00 61.42 O ATOM 1869 CB ASP A 110 7.052 -9.550 -11.249 1.00 24.44 C ATOM 1870 CG ASP A 110 5.950 -10.504 -10.766 1.00 10.32 C ATOM 1871 OD1 ASP A 110 4.888 -10.584 -11.415 1.00 32.21 O ATOM 1872 OD2 ASP A 110 6.139 -11.157 -9.718 1.00 14.10 O ATOM 0 H ASP A 110 6.030 -8.375 -13.209 1.00 22.35 H new ATOM 0 HA ASP A 110 5.950 -7.860 -10.413 1.00 13.34 H new ATOM 0 HB2 ASP A 110 7.339 -9.829 -12.263 1.00 24.44 H new ATOM 0 HB3 ASP A 110 7.932 -9.682 -10.620 1.00 24.44 H new ATOM 1877 N GLU A 111 8.810 -7.217 -12.004 1.00 51.11 N ATOM 1878 CA GLU A 111 10.109 -6.509 -11.936 1.00 21.23 C ATOM 1879 C GLU A 111 9.926 -4.982 -11.891 1.00 20.31 C ATOM 1880 O GLU A 111 10.753 -4.269 -11.314 1.00 70.10 O ATOM 1881 CB GLU A 111 11.042 -6.972 -13.101 1.00 22.04 C ATOM 1882 CG GLU A 111 10.462 -6.909 -14.542 1.00 62.51 C ATOM 1883 CD GLU A 111 10.423 -5.507 -15.171 1.00 13.32 C ATOM 1884 OE1 GLU A 111 11.507 -4.941 -15.443 1.00 41.23 O ATOM 1885 OE2 GLU A 111 9.323 -4.963 -15.401 1.00 0.12 O ATOM 0 H GLU A 111 8.680 -7.750 -12.864 1.00 51.11 H new ATOM 0 HA GLU A 111 10.599 -6.777 -11.000 1.00 21.23 H new ATOM 0 HB2 GLU A 111 11.945 -6.363 -13.073 1.00 22.04 H new ATOM 0 HB3 GLU A 111 11.345 -8.000 -12.903 1.00 22.04 H new ATOM 0 HG2 GLU A 111 11.054 -7.561 -15.184 1.00 62.51 H new ATOM 0 HG3 GLU A 111 9.449 -7.311 -14.527 1.00 62.51 H new ATOM 1892 N GLU A 112 8.830 -4.510 -12.496 1.00 41.11 N ATOM 1893 CA GLU A 112 8.420 -3.101 -12.490 1.00 13.34 C ATOM 1894 C GLU A 112 7.954 -2.681 -11.086 1.00 52.44 C ATOM 1895 O GLU A 112 8.373 -1.644 -10.563 1.00 21.31 O ATOM 1896 CB GLU A 112 7.290 -2.927 -13.526 1.00 30.32 C ATOM 1897 CG GLU A 112 6.758 -1.498 -13.702 1.00 62.31 C ATOM 1898 CD GLU A 112 5.655 -1.393 -14.767 1.00 70.53 C ATOM 1899 OE1 GLU A 112 4.837 -2.333 -14.896 1.00 12.41 O ATOM 1900 OE2 GLU A 112 5.579 -0.356 -15.466 1.00 74.42 O ATOM 0 H GLU A 112 8.189 -5.110 -13.015 1.00 41.11 H new ATOM 0 HA GLU A 112 9.262 -2.461 -12.754 1.00 13.34 H new ATOM 0 HB2 GLU A 112 7.651 -3.282 -14.492 1.00 30.32 H new ATOM 0 HB3 GLU A 112 6.459 -3.571 -13.240 1.00 30.32 H new ATOM 0 HG2 GLU A 112 6.369 -1.141 -12.748 1.00 62.31 H new ATOM 0 HG3 GLU A 112 7.583 -0.841 -13.976 1.00 62.31 H new ATOM 1907 N ALA A 113 7.107 -3.532 -10.486 1.00 61.32 N ATOM 1908 CA ALA A 113 6.561 -3.322 -9.134 1.00 24.21 C ATOM 1909 C ALA A 113 7.678 -3.295 -8.070 1.00 71.33 C ATOM 1910 O ALA A 113 7.655 -2.456 -7.174 1.00 52.22 O ATOM 1911 CB ALA A 113 5.532 -4.406 -8.809 1.00 2.45 C ATOM 0 H ALA A 113 6.779 -4.391 -10.927 1.00 61.32 H new ATOM 0 HA ALA A 113 6.069 -2.350 -9.116 1.00 24.21 H new ATOM 0 HB1 ALA A 113 5.134 -4.242 -7.807 1.00 2.45 H new ATOM 0 HB2 ALA A 113 4.719 -4.365 -9.534 1.00 2.45 H new ATOM 0 HB3 ALA A 113 6.009 -5.385 -8.854 1.00 2.45 H new ATOM 1917 N LEU A 114 8.666 -4.207 -8.213 1.00 0.10 N ATOM 1918 CA LEU A 114 9.812 -4.340 -7.278 1.00 63.34 C ATOM 1919 C LEU A 114 10.659 -3.051 -7.221 1.00 4.13 C ATOM 1920 O LEU A 114 11.216 -2.711 -6.165 1.00 50.14 O ATOM 1921 CB LEU A 114 10.702 -5.542 -7.686 1.00 65.23 C ATOM 1922 CG LEU A 114 10.051 -6.956 -7.576 1.00 0.14 C ATOM 1923 CD1 LEU A 114 11.020 -8.046 -8.083 1.00 74.41 C ATOM 1924 CD2 LEU A 114 9.566 -7.255 -6.134 1.00 43.12 C ATOM 0 H LEU A 114 8.693 -4.876 -8.983 1.00 0.10 H new ATOM 0 HA LEU A 114 9.404 -4.514 -6.282 1.00 63.34 H new ATOM 0 HB2 LEU A 114 11.025 -5.394 -8.716 1.00 65.23 H new ATOM 0 HB3 LEU A 114 11.598 -5.529 -7.066 1.00 65.23 H new ATOM 0 HG LEU A 114 9.169 -6.965 -8.216 1.00 0.14 H new ATOM 0 HD11 LEU A 114 10.545 -9.023 -7.997 1.00 74.41 H new ATOM 0 HD12 LEU A 114 11.269 -7.854 -9.127 1.00 74.41 H new ATOM 0 HD13 LEU A 114 11.930 -8.031 -7.484 1.00 74.41 H new ATOM 0 HD21 LEU A 114 9.119 -8.248 -6.099 1.00 43.12 H new ATOM 0 HD22 LEU A 114 10.413 -7.214 -5.449 1.00 43.12 H new ATOM 0 HD23 LEU A 114 8.824 -6.513 -5.838 1.00 43.12 H new ATOM 1936 N LYS A 115 10.754 -2.355 -8.373 1.00 33.21 N ATOM 1937 CA LYS A 115 11.401 -1.030 -8.459 1.00 5.43 C ATOM 1938 C LYS A 115 10.666 -0.035 -7.551 1.00 34.24 C ATOM 1939 O LYS A 115 11.274 0.614 -6.694 1.00 53.52 O ATOM 1940 CB LYS A 115 11.386 -0.485 -9.914 1.00 54.41 C ATOM 1941 CG LYS A 115 12.121 -1.353 -10.954 1.00 14.51 C ATOM 1942 CD LYS A 115 12.014 -0.762 -12.377 1.00 5.54 C ATOM 1943 CE LYS A 115 12.733 -1.606 -13.435 1.00 60.03 C ATOM 1944 NZ LYS A 115 12.155 -2.967 -13.564 1.00 23.33 N ATOM 0 H LYS A 115 10.387 -2.693 -9.263 1.00 33.21 H new ATOM 0 HA LYS A 115 12.437 -1.144 -8.139 1.00 5.43 H new ATOM 0 HB2 LYS A 115 10.349 -0.370 -10.230 1.00 54.41 H new ATOM 0 HB3 LYS A 115 11.832 0.510 -9.916 1.00 54.41 H new ATOM 0 HG2 LYS A 115 13.171 -1.442 -10.676 1.00 14.51 H new ATOM 0 HG3 LYS A 115 11.703 -2.360 -10.947 1.00 14.51 H new ATOM 0 HD2 LYS A 115 10.962 -0.670 -12.648 1.00 5.54 H new ATOM 0 HD3 LYS A 115 12.432 0.245 -12.378 1.00 5.54 H new ATOM 0 HE2 LYS A 115 12.679 -1.099 -14.398 1.00 60.03 H new ATOM 0 HE3 LYS A 115 13.789 -1.686 -13.176 1.00 60.03 H new ATOM 0 HZ1 LYS A 115 12.865 -3.674 -13.285 1.00 23.33 H new ATOM 0 HZ2 LYS A 115 11.322 -3.050 -12.947 1.00 23.33 H new ATOM 0 HZ3 LYS A 115 11.872 -3.132 -14.551 1.00 23.33 H new ATOM 1958 N ILE A 116 9.340 0.003 -7.732 1.00 34.23 N ATOM 1959 CA ILE A 116 8.456 1.003 -7.120 1.00 34.22 C ATOM 1960 C ILE A 116 8.355 0.828 -5.589 1.00 22.42 C ATOM 1961 O ILE A 116 8.236 1.819 -4.860 1.00 74.15 O ATOM 1962 CB ILE A 116 7.028 0.937 -7.764 1.00 25.54 C ATOM 1963 CG1 ILE A 116 7.096 1.098 -9.319 1.00 30.55 C ATOM 1964 CG2 ILE A 116 6.091 1.981 -7.143 1.00 1.11 C ATOM 1965 CD1 ILE A 116 7.723 2.389 -9.837 1.00 22.02 C ATOM 0 H ILE A 116 8.844 -0.670 -8.316 1.00 34.23 H new ATOM 0 HA ILE A 116 8.894 1.982 -7.312 1.00 34.22 H new ATOM 0 HB ILE A 116 6.617 -0.050 -7.551 1.00 25.54 H new ATOM 0 HG12 ILE A 116 7.658 0.257 -9.726 1.00 30.55 H new ATOM 0 HG13 ILE A 116 6.083 1.026 -9.715 1.00 30.55 H new ATOM 0 HG21 ILE A 116 5.108 1.911 -7.610 1.00 1.11 H new ATOM 0 HG22 ILE A 116 5.999 1.796 -6.073 1.00 1.11 H new ATOM 0 HG23 ILE A 116 6.499 2.979 -7.305 1.00 1.11 H new ATOM 0 HD11 ILE A 116 7.714 2.386 -10.927 1.00 22.02 H new ATOM 0 HD12 ILE A 116 7.152 3.243 -9.472 1.00 22.02 H new ATOM 0 HD13 ILE A 116 8.751 2.462 -9.483 1.00 22.02 H new ATOM 1977 N VAL A 117 8.403 -0.436 -5.122 1.00 32.14 N ATOM 1978 CA VAL A 117 8.438 -0.765 -3.680 1.00 71.11 C ATOM 1979 C VAL A 117 9.642 -0.075 -3.029 1.00 23.15 C ATOM 1980 O VAL A 117 9.499 0.628 -2.028 1.00 24.11 O ATOM 1981 CB VAL A 117 8.525 -2.319 -3.438 1.00 14.55 C ATOM 1982 CG1 VAL A 117 8.647 -2.667 -1.932 1.00 0.31 C ATOM 1983 CG2 VAL A 117 7.319 -3.034 -4.064 1.00 4.20 C ATOM 0 H VAL A 117 8.419 -1.255 -5.730 1.00 32.14 H new ATOM 0 HA VAL A 117 7.511 -0.409 -3.230 1.00 71.11 H new ATOM 0 HB VAL A 117 9.433 -2.672 -3.927 1.00 14.55 H new ATOM 0 HG11 VAL A 117 8.704 -3.749 -1.812 1.00 0.31 H new ATOM 0 HG12 VAL A 117 9.548 -2.209 -1.524 1.00 0.31 H new ATOM 0 HG13 VAL A 117 7.775 -2.288 -1.399 1.00 0.31 H new ATOM 0 HG21 VAL A 117 7.399 -4.106 -3.885 1.00 4.20 H new ATOM 0 HG22 VAL A 117 6.400 -2.659 -3.614 1.00 4.20 H new ATOM 0 HG23 VAL A 117 7.301 -2.845 -5.137 1.00 4.20 H new ATOM 1993 N ARG A 118 10.806 -0.230 -3.679 1.00 41.51 N ATOM 1994 CA ARG A 118 12.069 0.355 -3.217 1.00 63.21 C ATOM 1995 C ARG A 118 12.026 1.894 -3.268 1.00 41.22 C ATOM 1996 O ARG A 118 12.590 2.543 -2.384 1.00 33.11 O ATOM 1997 CB ARG A 118 13.259 -0.208 -4.035 1.00 15.44 C ATOM 1998 CG ARG A 118 13.571 -1.691 -3.740 1.00 14.20 C ATOM 1999 CD ARG A 118 14.813 -2.222 -4.490 1.00 35.31 C ATOM 2000 NE ARG A 118 15.305 -3.467 -3.882 1.00 2.15 N ATOM 2001 CZ ARG A 118 16.541 -3.665 -3.399 1.00 21.32 C ATOM 2002 NH1 ARG A 118 17.456 -2.702 -3.442 1.00 21.14 N ATOM 2003 NH2 ARG A 118 16.826 -4.808 -2.807 1.00 61.24 N ATOM 0 H ARG A 118 10.895 -0.767 -4.542 1.00 41.51 H new ATOM 0 HA ARG A 118 12.213 0.073 -2.174 1.00 63.21 H new ATOM 0 HB2 ARG A 118 13.043 -0.096 -5.097 1.00 15.44 H new ATOM 0 HB3 ARG A 118 14.147 0.389 -3.826 1.00 15.44 H new ATOM 0 HG2 ARG A 118 13.723 -1.815 -2.668 1.00 14.20 H new ATOM 0 HG3 ARG A 118 12.706 -2.297 -4.011 1.00 14.20 H new ATOM 0 HD2 ARG A 118 14.562 -2.399 -5.536 1.00 35.31 H new ATOM 0 HD3 ARG A 118 15.601 -1.469 -4.474 1.00 35.31 H new ATOM 0 HE ARG A 118 14.651 -4.247 -3.822 1.00 2.15 H new ATOM 0 HH11 ARG A 118 17.223 -1.795 -3.847 1.00 21.14 H new ATOM 0 HH12 ARG A 118 18.391 -2.870 -3.070 1.00 21.14 H new ATOM 0 HH21 ARG A 118 16.110 -5.530 -2.720 1.00 61.24 H new ATOM 0 HH22 ARG A 118 17.762 -4.971 -2.436 1.00 61.24 H new ATOM 2017 N GLU A 119 11.323 2.460 -4.278 1.00 54.21 N ATOM 2018 CA GLU A 119 11.123 3.925 -4.403 1.00 42.14 C ATOM 2019 C GLU A 119 10.331 4.459 -3.204 1.00 22.51 C ATOM 2020 O GLU A 119 10.706 5.463 -2.598 1.00 43.52 O ATOM 2021 CB GLU A 119 10.385 4.282 -5.725 1.00 70.45 C ATOM 2022 CG GLU A 119 11.099 3.820 -7.005 1.00 44.43 C ATOM 2023 CD GLU A 119 12.457 4.503 -7.249 1.00 62.22 C ATOM 2024 OE1 GLU A 119 13.475 4.073 -6.659 1.00 55.03 O ATOM 2025 OE2 GLU A 119 12.519 5.458 -8.053 1.00 34.31 O ATOM 0 H GLU A 119 10.882 1.920 -5.023 1.00 54.21 H new ATOM 0 HA GLU A 119 12.106 4.395 -4.422 1.00 42.14 H new ATOM 0 HB2 GLU A 119 9.390 3.838 -5.700 1.00 70.45 H new ATOM 0 HB3 GLU A 119 10.251 5.363 -5.770 1.00 70.45 H new ATOM 0 HG2 GLU A 119 11.251 2.742 -6.955 1.00 44.43 H new ATOM 0 HG3 GLU A 119 10.450 4.011 -7.859 1.00 44.43 H new ATOM 2032 N PHE A 120 9.244 3.748 -2.864 1.00 21.01 N ATOM 2033 CA PHE A 120 8.396 4.063 -1.699 1.00 40.11 C ATOM 2034 C PHE A 120 9.208 4.069 -0.399 1.00 10.12 C ATOM 2035 O PHE A 120 9.024 4.944 0.438 1.00 2.41 O ATOM 2036 CB PHE A 120 7.221 3.054 -1.584 1.00 64.43 C ATOM 2037 CG PHE A 120 6.130 3.186 -2.642 1.00 3.43 C ATOM 2038 CD1 PHE A 120 5.914 4.387 -3.329 1.00 41.34 C ATOM 2039 CD2 PHE A 120 5.281 2.118 -2.913 1.00 71.45 C ATOM 2040 CE1 PHE A 120 4.891 4.501 -4.249 1.00 34.41 C ATOM 2041 CE2 PHE A 120 4.258 2.239 -3.826 1.00 71.33 C ATOM 2042 CZ PHE A 120 4.063 3.426 -4.493 1.00 42.10 C ATOM 0 H PHE A 120 8.926 2.935 -3.391 1.00 21.01 H new ATOM 0 HA PHE A 120 7.991 5.063 -1.853 1.00 40.11 H new ATOM 0 HB2 PHE A 120 7.628 2.044 -1.632 1.00 64.43 H new ATOM 0 HB3 PHE A 120 6.764 3.167 -0.601 1.00 64.43 H new ATOM 0 HD1 PHE A 120 6.555 5.234 -3.137 1.00 41.34 H new ATOM 0 HD2 PHE A 120 5.427 1.179 -2.399 1.00 71.45 H new ATOM 0 HE1 PHE A 120 4.740 5.431 -4.777 1.00 34.41 H new ATOM 0 HE2 PHE A 120 3.607 1.400 -4.019 1.00 71.33 H new ATOM 0 HZ PHE A 120 3.260 3.516 -5.209 1.00 42.10 H new ATOM 2052 N MET A 121 10.128 3.096 -0.281 1.00 22.44 N ATOM 2053 CA MET A 121 11.010 2.931 0.892 1.00 2.22 C ATOM 2054 C MET A 121 12.034 4.088 1.002 1.00 70.13 C ATOM 2055 O MET A 121 12.525 4.372 2.100 1.00 4.42 O ATOM 2056 CB MET A 121 11.717 1.544 0.821 1.00 21.12 C ATOM 2057 CG MET A 121 10.738 0.351 0.809 1.00 5.35 C ATOM 2058 SD MET A 121 11.509 -1.219 0.342 1.00 55.41 S ATOM 2059 CE MET A 121 12.500 -1.602 1.782 1.00 11.43 C ATOM 0 H MET A 121 10.283 2.394 -1.004 1.00 22.44 H new ATOM 0 HA MET A 121 10.402 2.968 1.796 1.00 2.22 H new ATOM 0 HB2 MET A 121 12.334 1.506 -0.077 1.00 21.12 H new ATOM 0 HB3 MET A 121 12.388 1.444 1.674 1.00 21.12 H new ATOM 0 HG2 MET A 121 10.294 0.247 1.799 1.00 5.35 H new ATOM 0 HG3 MET A 121 9.925 0.567 0.116 1.00 5.35 H new ATOM 0 HE1 MET A 121 13.093 -2.496 1.588 1.00 11.43 H new ATOM 0 HE2 MET A 121 13.165 -0.766 1.999 1.00 11.43 H new ATOM 0 HE3 MET A 121 11.847 -1.778 2.637 1.00 11.43 H new ATOM 2069 N GLN A 122 12.325 4.765 -0.137 1.00 10.35 N ATOM 2070 CA GLN A 122 13.223 5.948 -0.169 1.00 44.24 C ATOM 2071 C GLN A 122 12.513 7.180 0.411 1.00 73.51 C ATOM 2072 O GLN A 122 13.036 7.848 1.317 1.00 24.44 O ATOM 2073 CB GLN A 122 13.710 6.259 -1.614 1.00 43.22 C ATOM 2074 CG GLN A 122 14.393 5.080 -2.329 1.00 74.03 C ATOM 2075 CD GLN A 122 15.616 4.504 -1.599 1.00 10.33 C ATOM 2076 OE1 GLN A 122 16.354 5.221 -0.922 1.00 64.20 O ATOM 2077 NE2 GLN A 122 15.833 3.203 -1.724 1.00 25.34 N ATOM 0 H GLN A 122 11.949 4.510 -1.050 1.00 10.35 H new ATOM 0 HA GLN A 122 14.094 5.710 0.442 1.00 44.24 H new ATOM 0 HB2 GLN A 122 12.856 6.582 -2.209 1.00 43.22 H new ATOM 0 HB3 GLN A 122 14.407 7.096 -1.576 1.00 43.22 H new ATOM 0 HG2 GLN A 122 13.661 4.284 -2.466 1.00 74.03 H new ATOM 0 HG3 GLN A 122 14.701 5.405 -3.323 1.00 74.03 H new ATOM 0 HE21 GLN A 122 15.205 2.633 -2.291 1.00 25.34 H new ATOM 0 HE22 GLN A 122 16.628 2.771 -1.253 1.00 25.34 H new ATOM 2086 N LYS A 123 11.306 7.456 -0.116 1.00 51.24 N ATOM 2087 CA LYS A 123 10.456 8.576 0.345 1.00 13.21 C ATOM 2088 C LYS A 123 10.009 8.332 1.803 1.00 35.33 C ATOM 2089 O LYS A 123 9.803 9.280 2.572 1.00 13.04 O ATOM 2090 CB LYS A 123 9.209 8.762 -0.577 1.00 22.15 C ATOM 2091 CG LYS A 123 9.466 9.389 -1.972 1.00 15.21 C ATOM 2092 CD LYS A 123 10.242 8.468 -2.933 1.00 34.44 C ATOM 2093 CE LYS A 123 10.290 9.004 -4.368 1.00 50.44 C ATOM 2094 NZ LYS A 123 8.930 9.153 -4.941 1.00 53.02 N ATOM 0 H LYS A 123 10.891 6.912 -0.872 1.00 51.24 H new ATOM 0 HA LYS A 123 11.046 9.491 0.296 1.00 13.21 H new ATOM 0 HB2 LYS A 123 8.744 7.787 -0.722 1.00 22.15 H new ATOM 0 HB3 LYS A 123 8.486 9.385 -0.051 1.00 22.15 H new ATOM 0 HG2 LYS A 123 8.509 9.649 -2.425 1.00 15.21 H new ATOM 0 HG3 LYS A 123 10.022 10.318 -1.846 1.00 15.21 H new ATOM 0 HD2 LYS A 123 11.260 8.342 -2.564 1.00 34.44 H new ATOM 0 HD3 LYS A 123 9.779 7.481 -2.935 1.00 34.44 H new ATOM 0 HE2 LYS A 123 10.798 9.968 -4.380 1.00 50.44 H new ATOM 0 HE3 LYS A 123 10.876 8.327 -4.990 1.00 50.44 H new ATOM 0 HZ1 LYS A 123 8.970 9.014 -5.971 1.00 53.02 H new ATOM 0 HZ2 LYS A 123 8.296 8.443 -4.521 1.00 53.02 H new ATOM 0 HZ3 LYS A 123 8.568 10.106 -4.734 1.00 53.02 H new ATOM 2108 N ALA A 124 9.885 7.048 2.164 1.00 71.10 N ATOM 2109 CA ALA A 124 9.534 6.607 3.520 1.00 4.42 C ATOM 2110 C ALA A 124 10.704 6.877 4.485 1.00 52.50 C ATOM 2111 O ALA A 124 10.501 7.294 5.629 1.00 24.04 O ATOM 2112 CB ALA A 124 9.196 5.115 3.505 1.00 4.13 C ATOM 0 H ALA A 124 10.028 6.276 1.513 1.00 71.10 H new ATOM 0 HA ALA A 124 8.664 7.166 3.863 1.00 4.42 H new ATOM 0 HB1 ALA A 124 8.936 4.791 4.513 1.00 4.13 H new ATOM 0 HB2 ALA A 124 8.352 4.940 2.838 1.00 4.13 H new ATOM 0 HB3 ALA A 124 10.059 4.550 3.153 1.00 4.13 H new ATOM 2118 N GLY A 125 11.938 6.645 3.987 1.00 73.32 N ATOM 2119 CA GLY A 125 13.165 6.945 4.733 1.00 64.14 C ATOM 2120 C GLY A 125 13.374 8.440 4.951 1.00 32.22 C ATOM 2121 O GLY A 125 14.085 8.849 5.871 1.00 14.30 O ATOM 0 H GLY A 125 12.104 6.247 3.063 1.00 73.32 H new ATOM 0 HA2 GLY A 125 13.129 6.443 5.700 1.00 64.14 H new ATOM 0 HA3 GLY A 125 14.021 6.538 4.195 1.00 64.14 H new ATOM 2125 N SER A 126 12.725 9.254 4.103 1.00 21.05 N ATOM 2126 CA SER A 126 12.766 10.720 4.191 1.00 51.12 C ATOM 2127 C SER A 126 11.807 11.243 5.291 1.00 40.53 C ATOM 2128 O SER A 126 11.983 12.358 5.794 1.00 33.02 O ATOM 2129 CB SER A 126 12.421 11.320 2.816 1.00 5.41 C ATOM 2130 OG SER A 126 13.298 10.818 1.815 1.00 34.15 O ATOM 0 H SER A 126 12.153 8.909 3.332 1.00 21.05 H new ATOM 0 HA SER A 126 13.772 11.033 4.472 1.00 51.12 H new ATOM 0 HB2 SER A 126 11.390 11.080 2.557 1.00 5.41 H new ATOM 0 HB3 SER A 126 12.494 12.407 2.859 1.00 5.41 H new ATOM 0 HG SER A 126 13.125 9.863 1.677 1.00 34.15 H new ATOM 2136 N LEU A 127 10.815 10.402 5.677 1.00 11.30 N ATOM 2137 CA LEU A 127 9.854 10.714 6.767 1.00 2.40 C ATOM 2138 C LEU A 127 10.546 10.700 8.143 1.00 44.14 C ATOM 2139 O LEU A 127 10.058 11.319 9.100 1.00 13.24 O ATOM 2140 CB LEU A 127 8.672 9.707 6.754 1.00 71.11 C ATOM 2141 CG LEU A 127 7.908 9.575 5.405 1.00 4.45 C ATOM 2142 CD1 LEU A 127 6.791 8.508 5.495 1.00 75.30 C ATOM 2143 CD2 LEU A 127 7.371 10.944 4.930 1.00 62.14 C ATOM 0 H LEU A 127 10.658 9.492 5.244 1.00 11.30 H new ATOM 0 HA LEU A 127 9.467 11.718 6.592 1.00 2.40 H new ATOM 0 HB2 LEU A 127 9.054 8.724 7.031 1.00 71.11 H new ATOM 0 HB3 LEU A 127 7.960 10.001 7.525 1.00 71.11 H new ATOM 0 HG LEU A 127 8.615 9.231 4.650 1.00 4.45 H new ATOM 0 HD11 LEU A 127 6.276 8.439 4.537 1.00 75.30 H new ATOM 0 HD12 LEU A 127 7.230 7.541 5.741 1.00 75.30 H new ATOM 0 HD13 LEU A 127 6.079 8.791 6.271 1.00 75.30 H new ATOM 0 HD21 LEU A 127 6.842 10.819 3.985 1.00 62.14 H new ATOM 0 HD22 LEU A 127 6.688 11.346 5.678 1.00 62.14 H new ATOM 0 HD23 LEU A 127 8.204 11.633 4.791 1.00 62.14 H new ATOM 2155 N GLU A 128 11.686 9.984 8.209 1.00 75.33 N ATOM 2156 CA GLU A 128 12.564 9.935 9.387 1.00 3.20 C ATOM 2157 C GLU A 128 13.083 11.347 9.743 1.00 0.14 C ATOM 2158 O GLU A 128 13.189 11.694 10.922 1.00 73.13 O ATOM 2159 CB GLU A 128 13.753 8.977 9.105 1.00 3.32 C ATOM 2160 CG GLU A 128 14.737 8.799 10.277 1.00 14.23 C ATOM 2161 CD GLU A 128 15.944 7.926 9.905 1.00 61.11 C ATOM 2162 OE1 GLU A 128 15.763 6.713 9.693 1.00 50.43 O ATOM 2163 OE2 GLU A 128 17.074 8.450 9.799 1.00 40.00 O ATOM 0 H GLU A 128 12.024 9.416 7.432 1.00 75.33 H new ATOM 0 HA GLU A 128 11.994 9.562 10.238 1.00 3.20 H new ATOM 0 HB2 GLU A 128 13.356 7.999 8.832 1.00 3.32 H new ATOM 0 HB3 GLU A 128 14.304 9.350 8.241 1.00 3.32 H new ATOM 0 HG2 GLU A 128 15.088 9.778 10.604 1.00 14.23 H new ATOM 0 HG3 GLU A 128 14.214 8.349 11.121 1.00 14.23 H new ATOM 2170 N HIS A 129 13.415 12.132 8.688 1.00 10.42 N ATOM 2171 CA HIS A 129 13.933 13.521 8.803 1.00 60.32 C ATOM 2172 C HIS A 129 15.219 13.610 9.657 1.00 24.33 C ATOM 2173 O HIS A 129 15.521 14.644 10.273 1.00 5.04 O ATOM 2174 CB HIS A 129 12.820 14.490 9.307 1.00 60.50 C ATOM 2175 CG HIS A 129 11.708 14.681 8.305 1.00 72.04 C ATOM 2176 ND1 HIS A 129 10.447 14.135 8.448 1.00 60.15 N ATOM 2177 CD2 HIS A 129 11.690 15.340 7.119 1.00 54.20 C ATOM 2178 CE1 HIS A 129 9.712 14.448 7.397 1.00 10.21 C ATOM 2179 NE2 HIS A 129 10.441 15.175 6.581 1.00 71.22 N ATOM 0 H HIS A 129 13.330 11.816 7.722 1.00 10.42 H new ATOM 0 HA HIS A 129 14.222 13.841 7.802 1.00 60.32 H new ATOM 0 HB2 HIS A 129 12.402 14.103 10.236 1.00 60.50 H new ATOM 0 HB3 HIS A 129 13.265 15.458 9.537 1.00 60.50 H new ATOM 0 HD1 HIS A 129 10.133 13.577 9.242 1.00 60.15 H new ATOM 0 HD2 HIS A 129 12.508 15.892 6.681 1.00 54.20 H new ATOM 0 HE1 HIS A 129 8.685 14.156 7.235 1.00 10.21 H new ATOM 2188 N HIS A 130 15.963 12.495 9.671 1.00 22.02 N ATOM 2189 CA HIS A 130 17.304 12.385 10.277 1.00 15.32 C ATOM 2190 C HIS A 130 18.189 11.517 9.359 1.00 64.42 C ATOM 2191 O HIS A 130 19.280 11.102 9.748 1.00 64.54 O ATOM 2192 CB HIS A 130 17.219 11.739 11.691 1.00 54.32 C ATOM 2193 CG HIS A 130 16.363 12.491 12.685 1.00 43.53 C ATOM 2194 ND1 HIS A 130 15.088 12.091 13.034 1.00 41.51 N ATOM 2195 CD2 HIS A 130 16.611 13.604 13.411 1.00 62.04 C ATOM 2196 CE1 HIS A 130 14.595 12.930 13.921 1.00 54.24 C ATOM 2197 NE2 HIS A 130 15.498 13.854 14.170 1.00 54.01 N ATOM 0 H HIS A 130 15.644 11.622 9.252 1.00 22.02 H new ATOM 0 HA HIS A 130 17.734 13.381 10.385 1.00 15.32 H new ATOM 0 HB2 HIS A 130 16.827 10.727 11.589 1.00 54.32 H new ATOM 0 HB3 HIS A 130 18.227 11.651 12.095 1.00 54.32 H new ATOM 0 HD1 HIS A 130 14.604 11.274 12.663 1.00 41.51 H new ATOM 0 HD2 HIS A 130 17.519 14.188 13.396 1.00 62.04 H new ATOM 0 HE1 HIS A 130 13.614 12.870 14.369 1.00 54.24 H new ATOM 2206 N HIS A 131 17.724 11.309 8.108 1.00 54.12 N ATOM 2207 CA HIS A 131 18.264 10.278 7.183 1.00 31.40 C ATOM 2208 C HIS A 131 19.646 10.677 6.577 1.00 2.41 C ATOM 2209 O HIS A 131 20.255 9.904 5.831 1.00 22.13 O ATOM 2210 CB HIS A 131 17.196 9.999 6.087 1.00 22.45 C ATOM 2211 CG HIS A 131 17.504 8.850 5.166 1.00 75.50 C ATOM 2212 ND1 HIS A 131 18.123 9.012 3.947 1.00 53.23 N ATOM 2213 CD2 HIS A 131 17.275 7.523 5.293 1.00 64.35 C ATOM 2214 CE1 HIS A 131 18.265 7.841 3.369 1.00 21.34 C ATOM 2215 NE2 HIS A 131 17.760 6.918 4.165 1.00 63.21 N ATOM 0 H HIS A 131 16.960 11.852 7.706 1.00 54.12 H new ATOM 0 HA HIS A 131 18.459 9.363 7.742 1.00 31.40 H new ATOM 0 HB2 HIS A 131 16.241 9.806 6.575 1.00 22.45 H new ATOM 0 HB3 HIS A 131 17.071 10.900 5.487 1.00 22.45 H new ATOM 0 HD2 HIS A 131 16.798 7.032 6.129 1.00 64.35 H new ATOM 0 HE1 HIS A 131 18.719 7.664 2.405 1.00 21.34 H new ATOM 0 HE2 HIS A 131 17.735 5.917 3.971 1.00 63.21 H new ATOM 2224 N HIS A 132 20.123 11.875 6.941 1.00 24.42 N ATOM 2225 CA HIS A 132 21.446 12.412 6.557 1.00 71.43 C ATOM 2226 C HIS A 132 21.797 13.534 7.551 1.00 0.35 C ATOM 2227 O HIS A 132 22.932 13.644 8.022 1.00 52.50 O ATOM 2228 CB HIS A 132 21.414 12.935 5.099 1.00 74.45 C ATOM 2229 CG HIS A 132 22.708 13.524 4.590 1.00 63.13 C ATOM 2230 ND1 HIS A 132 22.761 14.677 3.834 1.00 0.25 N ATOM 2231 CD2 HIS A 132 23.991 13.099 4.709 1.00 12.04 C ATOM 2232 CE1 HIS A 132 24.013 14.934 3.512 1.00 14.22 C ATOM 2233 NE2 HIS A 132 24.778 13.995 4.031 1.00 12.21 N ATOM 0 H HIS A 132 19.589 12.518 7.526 1.00 24.42 H new ATOM 0 HA HIS A 132 22.207 11.633 6.597 1.00 71.43 H new ATOM 0 HB2 HIS A 132 21.127 12.113 4.443 1.00 74.45 H new ATOM 0 HB3 HIS A 132 20.635 13.693 5.021 1.00 74.45 H new ATOM 0 HD2 HIS A 132 24.329 12.220 5.238 1.00 12.04 H new ATOM 0 HE1 HIS A 132 24.354 15.772 2.923 1.00 14.22 H new ATOM 0 HE2 HIS A 132 25.793 13.943 3.943 1.00 12.21 H new ATOM 2242 N HIS A 133 20.780 14.368 7.824 1.00 30.54 N ATOM 2243 CA HIS A 133 20.768 15.351 8.927 1.00 24.45 C ATOM 2244 C HIS A 133 19.318 15.809 9.162 1.00 2.21 C ATOM 2245 O HIS A 133 18.421 15.487 8.368 1.00 24.21 O ATOM 2246 CB HIS A 133 21.697 16.577 8.651 1.00 64.34 C ATOM 2247 CG HIS A 133 21.276 17.464 7.498 1.00 41.23 C ATOM 2248 ND1 HIS A 133 20.548 18.621 7.663 1.00 34.20 N ATOM 2249 CD2 HIS A 133 21.528 17.376 6.167 1.00 71.32 C ATOM 2250 CE1 HIS A 133 20.363 19.198 6.491 1.00 63.54 C ATOM 2251 NE2 HIS A 133 20.948 18.462 5.567 1.00 64.11 N ATOM 0 H HIS A 133 19.922 14.380 7.273 1.00 30.54 H new ATOM 0 HA HIS A 133 21.162 14.867 9.821 1.00 24.45 H new ATOM 0 HB2 HIS A 133 21.747 17.184 9.555 1.00 64.34 H new ATOM 0 HB3 HIS A 133 22.705 16.211 8.456 1.00 64.34 H new ATOM 0 HD1 HIS A 133 20.204 18.977 8.555 1.00 34.20 H new ATOM 0 HD2 HIS A 133 22.084 16.593 5.672 1.00 71.32 H new ATOM 0 HE1 HIS A 133 19.824 20.118 6.318 1.00 63.54 H new ATOM 2260 N HIS A 134 19.094 16.537 10.263 1.00 44.22 N ATOM 2261 CA HIS A 134 17.798 17.175 10.533 1.00 53.40 C ATOM 2262 C HIS A 134 17.713 18.502 9.745 1.00 34.11 C ATOM 2263 O HIS A 134 18.562 19.390 9.969 1.00 12.31 O ATOM 2264 CB HIS A 134 17.594 17.410 12.049 1.00 63.13 C ATOM 2265 CG HIS A 134 16.257 18.034 12.385 1.00 23.01 C ATOM 2266 ND1 HIS A 134 15.064 17.346 12.277 1.00 61.32 N ATOM 2267 CD2 HIS A 134 15.925 19.293 12.767 1.00 4.44 C ATOM 2268 CE1 HIS A 134 14.069 18.148 12.596 1.00 74.44 C ATOM 2269 NE2 HIS A 134 14.559 19.334 12.886 1.00 73.35 N ATOM 2270 OXT HIS A 134 16.819 18.641 8.892 1.00 37.67 O ATOM 0 H HIS A 134 19.796 16.700 10.985 1.00 44.22 H new ATOM 0 HA HIS A 134 16.998 16.512 10.204 1.00 53.40 H new ATOM 0 HB2 HIS A 134 17.684 16.458 12.572 1.00 63.13 H new ATOM 0 HB3 HIS A 134 18.391 18.054 12.420 1.00 63.13 H new ATOM 0 HD2 HIS A 134 16.609 20.110 12.944 1.00 4.44 H new ATOM 0 HE1 HIS A 134 13.024 17.877 12.616 1.00 74.44 H new ATOM 0 HE2 HIS A 134 14.012 20.152 13.156 1.00 73.35 H new TER 2279 HIS A 134