USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1124 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: B 17 HIS : no HD1:sc= -0.171 X(o=-0.3,f=-0.42) USER MOD Set 1.2: B 21 GLN : amide:sc= -0.129 X(o=-0.3,f=-0.4) USER MOD Set 2.1: A 17 HIS : no HD1:sc= -0.405 K(o=-0.53,f=-1.1) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.123 X(o=-0.53,f=-0.62) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.5) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.077 USER MOD Single : A 7 SER OG : rot 13:sc= -0.858 USER MOD Single : A 8 SER OG : rot 81:sc= 0.691 USER MOD Single : A 10 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : A 13 CYS SG : rot 75:sc= -0.79 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.242 K(o=-0.24,f=-0.91) USER MOD Single : A 40 GLN :FLIP amide:sc= -3.89! C(o=-5.3!,f=-3.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.262 F(o=-8.7!,f=0.26) USER MOD Single : A 58 THR OG1 : rot 80:sc= 0.778 USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.0692 F(o=-0.9,f=-0.069) USER MOD Single : A 62 LYS NZ :NH3+ -143:sc= -0.643 (180deg=-1.35!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.391 F(o=-2.9!,f=-0.39) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0125) USER MOD Single : A 70 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.00243) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.191 USER MOD Single : B 7 SER OG : rot 6:sc= -0.887 USER MOD Single : B 8 SER OG : rot 80:sc= 0.67 USER MOD Single : B 10 GLN : amide:sc= -0.826 K(o=-0.83,f=-2.1!) USER MOD Single : B 13 CYS SG : rot 180:sc= -0.286 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 GLN : amide:sc= -0.0773 K(o=-0.077,f=-0.85) USER MOD Single : B 40 GLN :FLIP amide:sc= -3.4! C(o=-5!,f=-3.4!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 83:sc= 1.23 USER MOD Single : B 53 ASN :FLIP amide:sc= 0.132 F(o=-7.9!,f=0.13) USER MOD Single : B 58 THR OG1 : rot 77:sc= 1.11 USER MOD Single : B 59 HIS : no HD1:sc= -0.0624 X(o=-0.062,f=0.002) USER MOD Single : B 62 LYS NZ :NH3+ -140:sc= -1.12 (180deg=-2.7!) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.474 F(o=-2.7!,f=-0.47) USER MOD Single : B 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0171) USER MOD Single : B 70 LYS NZ :NH3+ -121:sc=-0.000855 (180deg=-0.009) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.047 6.571 17.902 1.00 0.00 N ATOM 31 CA SER A 3 -6.161 7.338 17.042 1.00 0.00 C ATOM 32 C SER A 3 -5.507 6.400 16.025 1.00 0.00 C ATOM 33 O SER A 3 -5.296 6.826 14.880 1.00 0.00 O ATOM 34 CB SER A 3 -5.090 8.071 17.852 1.00 0.00 C ATOM 35 OG SER A 3 -4.251 8.873 17.026 1.00 0.00 O ATOM 0 HA SER A 3 -6.751 8.092 16.522 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.570 8.701 18.601 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.481 7.344 18.389 1.00 0.00 H new ATOM 0 HG SER A 3 -3.582 9.325 17.581 1.00 0.00 H new ATOM 41 N ASN A 4 -5.206 5.161 16.454 1.00 0.00 N ATOM 42 CA ASN A 4 -4.583 4.176 15.588 1.00 0.00 C ATOM 43 C ASN A 4 -5.384 4.067 14.288 1.00 0.00 C ATOM 44 O ASN A 4 -4.774 3.816 13.239 1.00 0.00 O ATOM 45 CB ASN A 4 -4.564 2.796 16.248 1.00 0.00 C ATOM 46 CG ASN A 4 -3.378 2.662 17.205 1.00 0.00 C ATOM 47 OD1 ASN A 4 -2.958 3.607 17.851 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.861 1.436 17.258 1.00 0.00 N ATOM 0 H ASN A 4 -5.390 4.829 17.401 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.560 4.497 15.394 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.495 2.636 16.792 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.506 2.023 15.482 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.065 1.244 17.866 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.261 0.689 16.690 1.00 0.00 H new ATOM 55 N THR A 5 -6.713 4.256 14.382 1.00 0.00 N ATOM 56 CA THR A 5 -7.584 4.180 13.222 1.00 0.00 C ATOM 57 C THR A 5 -7.253 5.326 12.265 1.00 0.00 C ATOM 58 O THR A 5 -7.272 5.101 11.046 1.00 0.00 O ATOM 59 CB THR A 5 -9.037 4.189 13.702 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.174 2.967 14.422 1.00 0.00 O ATOM 61 CG2 THR A 5 -10.035 4.058 12.550 1.00 0.00 C ATOM 0 H THR A 5 -7.196 4.462 15.256 1.00 0.00 H new ATOM 0 HA THR A 5 -7.431 3.256 12.665 1.00 0.00 H new ATOM 0 HB THR A 5 -9.232 5.112 14.248 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.087 2.893 14.770 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.051 4.070 12.945 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.905 4.891 11.859 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.862 3.120 12.023 1.00 0.00 H new ATOM 69 N VAL A 6 -6.961 6.513 12.825 1.00 0.00 N ATOM 70 CA VAL A 6 -6.629 7.681 12.026 1.00 0.00 C ATOM 71 C VAL A 6 -5.301 7.441 11.307 1.00 0.00 C ATOM 72 O VAL A 6 -5.216 7.744 10.107 1.00 0.00 O ATOM 73 CB VAL A 6 -6.614 8.931 12.908 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.286 10.178 12.085 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.943 9.096 13.647 1.00 0.00 C ATOM 0 H VAL A 6 -6.951 6.678 13.832 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.387 7.848 11.261 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.829 8.806 13.654 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.282 11.053 12.736 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.304 10.063 11.625 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.038 10.308 11.307 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.906 9.992 14.267 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.753 9.189 12.923 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.119 8.225 14.278 1.00 0.00 H new ATOM 85 N SER A 7 -4.306 6.910 12.039 1.00 0.00 N ATOM 86 CA SER A 7 -2.996 6.632 11.476 1.00 0.00 C ATOM 87 C SER A 7 -3.134 5.587 10.367 1.00 0.00 C ATOM 88 O SER A 7 -2.647 5.839 9.255 1.00 0.00 O ATOM 89 CB SER A 7 -2.017 6.147 12.545 1.00 0.00 C ATOM 90 OG SER A 7 -2.595 5.151 13.385 1.00 0.00 O ATOM 0 H SER A 7 -4.397 6.668 13.026 1.00 0.00 H new ATOM 0 HA SER A 7 -2.594 7.557 11.062 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.126 5.743 12.064 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.696 6.993 13.153 1.00 0.00 H new ATOM 0 HG SER A 7 -3.428 4.827 12.983 1.00 0.00 H new ATOM 96 N SER A 8 -3.783 4.453 10.687 1.00 0.00 N ATOM 97 CA SER A 8 -3.981 3.382 9.724 1.00 0.00 C ATOM 98 C SER A 8 -4.636 3.950 8.463 1.00 0.00 C ATOM 99 O SER A 8 -4.293 3.491 7.364 1.00 0.00 O ATOM 100 CB SER A 8 -4.840 2.258 10.307 1.00 0.00 C ATOM 101 OG SER A 8 -4.335 1.792 11.555 1.00 0.00 O ATOM 0 H SER A 8 -4.176 4.265 11.609 1.00 0.00 H new ATOM 0 HA SER A 8 -3.009 2.957 9.474 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.862 2.614 10.440 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.881 1.429 9.600 1.00 0.00 H new ATOM 0 HG SER A 8 -4.625 2.395 12.271 1.00 0.00 H new ATOM 107 N PHE A 9 -5.548 4.921 8.643 1.00 0.00 N ATOM 108 CA PHE A 9 -6.241 5.543 7.528 1.00 0.00 C ATOM 109 C PHE A 9 -5.239 6.346 6.695 1.00 0.00 C ATOM 110 O PHE A 9 -5.175 6.124 5.477 1.00 0.00 O ATOM 111 CB PHE A 9 -7.358 6.456 8.069 1.00 0.00 C ATOM 112 CG PHE A 9 -8.380 6.894 7.028 1.00 0.00 C ATOM 113 CD1 PHE A 9 -8.900 5.963 6.100 1.00 0.00 C ATOM 114 CD2 PHE A 9 -8.811 8.241 6.982 1.00 0.00 C ATOM 115 CE1 PHE A 9 -9.843 6.374 5.134 1.00 0.00 C ATOM 116 CE2 PHE A 9 -9.755 8.650 6.017 1.00 0.00 C ATOM 117 CZ PHE A 9 -10.271 7.718 5.093 1.00 0.00 C ATOM 0 H PHE A 9 -5.815 5.285 9.558 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.691 4.780 6.892 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.878 5.934 8.872 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.903 7.344 8.508 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.574 4.934 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.416 8.957 7.687 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.237 5.660 4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.083 9.678 5.986 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.993 8.033 4.354 1.00 0.00 H new ATOM 127 N GLN A 10 -4.493 7.248 7.355 1.00 0.00 N ATOM 128 CA GLN A 10 -3.505 8.073 6.681 1.00 0.00 C ATOM 129 C GLN A 10 -2.595 7.182 5.833 1.00 0.00 C ATOM 130 O GLN A 10 -2.261 7.582 4.708 1.00 0.00 O ATOM 131 CB GLN A 10 -2.689 8.900 7.676 1.00 0.00 C ATOM 132 CG GLN A 10 -3.145 10.361 7.678 1.00 0.00 C ATOM 133 CD GLN A 10 -3.084 10.952 9.088 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.092 10.847 9.791 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.197 11.578 9.461 1.00 0.00 N ATOM 0 H GLN A 10 -4.564 7.416 8.358 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.024 8.779 6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.795 8.481 8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.631 8.846 7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.513 10.944 7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.163 10.428 7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.991 11.629 8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.256 12.007 10.385 1.00 0.00 H new ATOM 144 N VAL A 11 -2.219 6.012 6.379 1.00 0.00 N ATOM 145 CA VAL A 11 -1.357 5.075 5.677 1.00 0.00 C ATOM 146 C VAL A 11 -2.072 4.575 4.420 1.00 0.00 C ATOM 147 O VAL A 11 -1.491 4.680 3.331 1.00 0.00 O ATOM 148 CB VAL A 11 -0.938 3.944 6.618 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.479 2.717 5.829 1.00 0.00 C ATOM 150 CG2 VAL A 11 0.150 4.412 7.587 1.00 0.00 C ATOM 0 H VAL A 11 -2.505 5.702 7.308 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.439 5.567 5.354 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.809 3.657 7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.187 1.928 6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.295 2.363 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.372 2.984 5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.430 3.589 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.024 4.739 7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.227 5.242 8.185 1.00 0.00 H new ATOM 160 N ASP A 12 -3.298 4.049 4.594 1.00 0.00 N ATOM 161 CA ASP A 12 -4.080 3.537 3.482 1.00 0.00 C ATOM 162 C ASP A 12 -4.218 4.627 2.417 1.00 0.00 C ATOM 163 O ASP A 12 -4.208 4.290 1.224 1.00 0.00 O ATOM 164 CB ASP A 12 -5.486 3.139 3.935 1.00 0.00 C ATOM 165 CG ASP A 12 -5.634 1.682 4.380 1.00 0.00 C ATOM 166 OD1 ASP A 12 -4.674 0.899 4.328 1.00 0.00 O ATOM 167 OD2 ASP A 12 -6.810 1.357 4.799 1.00 0.00 O ATOM 0 H ASP A 12 -3.759 3.973 5.501 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.567 2.661 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.783 3.787 4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.182 3.326 3.117 1.00 0.00 H new ATOM 172 N CYS A 13 -4.341 5.891 2.861 1.00 0.00 N ATOM 173 CA CYS A 13 -4.479 7.016 1.952 1.00 0.00 C ATOM 174 C CYS A 13 -3.224 7.120 1.083 1.00 0.00 C ATOM 175 O CYS A 13 -3.354 7.068 -0.149 1.00 0.00 O ATOM 176 CB CYS A 13 -4.752 8.313 2.717 1.00 0.00 C ATOM 177 SG CYS A 13 -6.478 8.539 3.240 1.00 0.00 S ATOM 0 H CYS A 13 -4.346 6.147 3.848 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.338 6.851 1.302 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.113 8.339 3.600 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.464 9.156 2.089 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.728 7.767 4.256 1.00 0.00 H new ATOM 183 N PHE A 14 -2.053 7.264 1.729 1.00 0.00 N ATOM 184 CA PHE A 14 -0.790 7.374 1.019 1.00 0.00 C ATOM 185 C PHE A 14 -0.625 6.169 0.091 1.00 0.00 C ATOM 186 O PHE A 14 -0.199 6.364 -1.057 1.00 0.00 O ATOM 187 CB PHE A 14 0.362 7.439 2.041 1.00 0.00 C ATOM 188 CG PHE A 14 1.748 7.582 1.426 1.00 0.00 C ATOM 189 CD1 PHE A 14 2.161 8.825 0.893 1.00 0.00 C ATOM 190 CD2 PHE A 14 2.633 6.479 1.392 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.446 8.962 0.326 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.918 6.617 0.826 1.00 0.00 C ATOM 193 CZ PHE A 14 4.325 7.859 0.292 1.00 0.00 C ATOM 0 H PHE A 14 -1.967 7.306 2.745 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.775 8.282 0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.188 8.280 2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.341 6.536 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.491 9.672 0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.324 5.528 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.757 9.912 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.591 5.772 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.308 7.965 -0.142 1.00 0.00 H new ATOM 203 N LEU A 15 -0.961 4.969 0.596 1.00 0.00 N ATOM 204 CA LEU A 15 -0.852 3.748 -0.184 1.00 0.00 C ATOM 205 C LEU A 15 -1.706 3.875 -1.445 1.00 0.00 C ATOM 206 O LEU A 15 -1.185 3.609 -2.540 1.00 0.00 O ATOM 207 CB LEU A 15 -1.201 2.531 0.676 1.00 0.00 C ATOM 208 CG LEU A 15 -0.200 2.179 1.779 1.00 0.00 C ATOM 209 CD1 LEU A 15 -0.257 0.687 2.116 1.00 0.00 C ATOM 210 CD2 LEU A 15 1.213 2.627 1.401 1.00 0.00 C ATOM 0 H LEU A 15 -1.310 4.830 1.544 1.00 0.00 H new ATOM 0 HA LEU A 15 0.177 3.595 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.173 2.704 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.308 1.667 0.021 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.480 2.724 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.464 0.464 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.259 0.429 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.016 0.104 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.904 2.365 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.518 2.129 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.224 3.707 1.251 1.00 0.00 H new ATOM 222 N TRP A 16 -2.980 4.271 -1.274 1.00 0.00 N ATOM 223 CA TRP A 16 -3.894 4.430 -2.391 1.00 0.00 C ATOM 224 C TRP A 16 -3.253 5.337 -3.444 1.00 0.00 C ATOM 225 O TRP A 16 -3.411 5.054 -4.641 1.00 0.00 O ATOM 226 CB TRP A 16 -5.246 4.949 -1.899 1.00 0.00 C ATOM 227 CG TRP A 16 -6.316 5.030 -2.991 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.299 4.156 -3.248 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.471 6.082 -3.966 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.073 4.567 -4.315 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.554 5.775 -4.764 1.00 0.00 C ATOM 232 CE3 TRP A 16 -5.722 7.255 -4.166 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -7.985 6.591 -5.819 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.165 8.059 -5.223 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.254 7.764 -6.036 1.00 0.00 C ATOM 0 H TRP A 16 -3.390 4.485 -0.365 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.087 3.467 -2.863 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.605 4.299 -1.101 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.108 5.940 -1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.465 3.246 -2.691 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.878 4.074 -4.702 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.872 7.515 -3.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -8.835 6.329 -6.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.623 8.972 -5.421 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.534 8.438 -6.832 1.00 0.00 H new ATOM 246 N HIS A 17 -2.554 6.391 -2.986 1.00 0.00 N ATOM 247 CA HIS A 17 -1.897 7.327 -3.882 1.00 0.00 C ATOM 248 C HIS A 17 -0.840 6.585 -4.704 1.00 0.00 C ATOM 249 O HIS A 17 -0.967 6.555 -5.936 1.00 0.00 O ATOM 250 CB HIS A 17 -1.319 8.513 -3.107 1.00 0.00 C ATOM 251 CG HIS A 17 -0.825 9.639 -3.985 1.00 0.00 C ATOM 252 ND1 HIS A 17 0.129 10.549 -3.570 1.00 0.00 N ATOM 253 CD2 HIS A 17 -1.164 9.989 -5.259 1.00 0.00 C ATOM 254 CE1 HIS A 17 0.348 11.406 -4.557 1.00 0.00 C ATOM 255 NE2 HIS A 17 -0.456 11.058 -5.603 1.00 0.00 N ATOM 0 H HIS A 17 -2.436 6.606 -1.996 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.626 7.746 -4.576 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.083 8.900 -2.433 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.495 8.161 -2.487 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.886 9.482 -5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.041 12.234 -4.537 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -0.505 11.540 -6.501 1.00 0.00 H new ATOM 263 N VAL A 18 0.162 6.010 -4.017 1.00 0.00 N ATOM 264 CA VAL A 18 1.227 5.275 -4.678 1.00 0.00 C ATOM 265 C VAL A 18 0.617 4.281 -5.668 1.00 0.00 C ATOM 266 O VAL A 18 1.144 4.160 -6.783 1.00 0.00 O ATOM 267 CB VAL A 18 2.128 4.607 -3.637 1.00 0.00 C ATOM 268 CG1 VAL A 18 3.181 3.724 -4.309 1.00 0.00 C ATOM 269 CG2 VAL A 18 2.784 5.650 -2.729 1.00 0.00 C ATOM 0 H VAL A 18 0.247 6.047 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 18 1.861 5.953 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 18 1.503 3.967 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.808 3.261 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.686 2.948 -4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.800 4.333 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.419 5.149 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.389 6.328 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.012 6.218 -2.210 1.00 0.00 H new ATOM 279 N ARG A 19 -0.464 3.600 -5.248 1.00 0.00 N ATOM 280 CA ARG A 19 -1.137 2.626 -6.090 1.00 0.00 C ATOM 281 C ARG A 19 -1.604 3.310 -7.377 1.00 0.00 C ATOM 282 O ARG A 19 -1.270 2.814 -8.464 1.00 0.00 O ATOM 283 CB ARG A 19 -2.343 2.006 -5.383 1.00 0.00 C ATOM 284 CG ARG A 19 -1.897 1.028 -4.294 1.00 0.00 C ATOM 285 CD ARG A 19 -3.103 0.382 -3.609 1.00 0.00 C ATOM 286 NE ARG A 19 -2.993 0.534 -2.141 1.00 0.00 N ATOM 287 CZ ARG A 19 -3.523 -0.329 -1.249 1.00 0.00 C ATOM 288 NH1 ARG A 19 -4.193 -1.399 -1.699 1.00 0.00 N ATOM 289 NH2 ARG A 19 -3.379 -0.122 0.066 1.00 0.00 N ATOM 0 H ARG A 19 -0.883 3.715 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.430 1.828 -6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.955 2.793 -4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.968 1.487 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.265 0.255 -4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.292 1.553 -3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.024 0.845 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.157 -0.675 -3.870 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.485 1.342 -1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.296 -1.551 -2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.600 -2.061 -1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.865 0.693 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.783 -0.779 0.733 1.00 0.00 H new ATOM 303 N LYS A 20 -2.356 4.415 -7.232 1.00 0.00 N ATOM 304 CA LYS A 20 -2.864 5.156 -8.375 1.00 0.00 C ATOM 305 C LYS A 20 -1.710 5.464 -9.331 1.00 0.00 C ATOM 306 O LYS A 20 -1.941 5.481 -10.549 1.00 0.00 O ATOM 307 CB LYS A 20 -3.628 6.399 -7.912 1.00 0.00 C ATOM 308 CG LYS A 20 -4.172 7.185 -9.106 1.00 0.00 C ATOM 309 CD LYS A 20 -5.528 6.633 -9.553 1.00 0.00 C ATOM 310 CE LYS A 20 -5.712 6.786 -11.064 1.00 0.00 C ATOM 311 NZ LYS A 20 -6.403 8.048 -11.374 1.00 0.00 N ATOM 0 H LYS A 20 -2.620 4.807 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.586 4.555 -8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.451 6.103 -7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.969 7.036 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.274 8.237 -8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.464 7.134 -9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.605 5.581 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.328 7.158 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.741 6.765 -11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.286 5.945 -11.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.520 8.136 -12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.338 8.053 -10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.841 8.848 -11.020 1.00 0.00 H new ATOM 325 N GLN A 21 -0.510 5.699 -8.770 1.00 0.00 N ATOM 326 CA GLN A 21 0.667 6.004 -9.567 1.00 0.00 C ATOM 327 C GLN A 21 1.094 4.752 -10.337 1.00 0.00 C ATOM 328 O GLN A 21 1.510 4.886 -11.496 1.00 0.00 O ATOM 329 CB GLN A 21 1.811 6.532 -8.700 1.00 0.00 C ATOM 330 CG GLN A 21 1.857 8.062 -8.726 1.00 0.00 C ATOM 331 CD GLN A 21 1.983 8.630 -7.311 1.00 0.00 C ATOM 332 OE1 GLN A 21 2.843 9.444 -7.016 1.00 0.00 O ATOM 333 NE2 GLN A 21 1.083 8.156 -6.455 1.00 0.00 N ATOM 0 H GLN A 21 -0.341 5.681 -7.764 1.00 0.00 H new ATOM 0 HA GLN A 21 0.416 6.794 -10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.685 6.186 -7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.759 6.130 -9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.700 8.394 -9.332 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.954 8.449 -9.198 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.390 7.476 -6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.085 8.472 -5.485 1.00 0.00 H new ATOM 342 N VAL A 22 0.986 3.579 -9.686 1.00 0.00 N ATOM 343 CA VAL A 22 1.357 2.318 -10.305 1.00 0.00 C ATOM 344 C VAL A 22 0.438 2.049 -11.498 1.00 0.00 C ATOM 345 O VAL A 22 0.929 1.550 -12.521 1.00 0.00 O ATOM 346 CB VAL A 22 1.330 1.197 -9.265 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.498 -0.171 -9.930 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.398 1.419 -8.191 1.00 0.00 C ATOM 0 H VAL A 22 0.643 3.491 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 22 2.377 2.366 -10.686 1.00 0.00 H new ATOM 0 HB VAL A 22 0.355 1.216 -8.777 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.475 -0.951 -9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.687 -0.333 -10.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.452 -0.205 -10.456 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.357 0.608 -7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.383 1.440 -8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.215 2.368 -7.687 1.00 0.00 H new ATOM 358 N VAL A 23 -0.857 2.380 -11.346 1.00 0.00 N ATOM 359 CA VAL A 23 -1.833 2.175 -12.404 1.00 0.00 C ATOM 360 C VAL A 23 -1.582 3.185 -13.525 1.00 0.00 C ATOM 361 O VAL A 23 -1.713 2.808 -14.699 1.00 0.00 O ATOM 362 CB VAL A 23 -3.249 2.255 -11.831 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.295 2.191 -12.946 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.485 1.155 -10.794 1.00 0.00 C ATOM 0 H VAL A 23 -1.241 2.791 -10.495 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.728 1.179 -12.835 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.353 3.216 -11.328 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.293 2.250 -12.512 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.148 3.025 -13.632 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.190 1.252 -13.490 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.499 1.235 -10.403 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.353 0.179 -11.262 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.771 1.266 -9.977 1.00 0.00 H new ATOM 374 N ASP A 24 -1.234 4.429 -13.149 1.00 0.00 N ATOM 375 CA ASP A 24 -0.970 5.480 -14.115 1.00 0.00 C ATOM 376 C ASP A 24 0.279 5.122 -14.925 1.00 0.00 C ATOM 377 O ASP A 24 0.466 5.696 -16.007 1.00 0.00 O ATOM 378 CB ASP A 24 -0.713 6.818 -13.419 1.00 0.00 C ATOM 379 CG ASP A 24 -1.969 7.621 -13.079 1.00 0.00 C ATOM 380 OD1 ASP A 24 -2.421 8.358 -14.036 1.00 0.00 O ATOM 381 OD2 ASP A 24 -2.491 7.548 -11.955 1.00 0.00 O ATOM 0 H ASP A 24 -1.132 4.719 -12.177 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.844 5.571 -14.760 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.159 6.631 -12.499 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.073 7.426 -14.058 1.00 0.00 H new ATOM 386 N GLN A 25 1.094 4.194 -14.392 1.00 0.00 N ATOM 387 CA GLN A 25 2.312 3.765 -15.059 1.00 0.00 C ATOM 388 C GLN A 25 1.974 2.671 -16.075 1.00 0.00 C ATOM 389 O GLN A 25 2.901 2.152 -16.713 1.00 0.00 O ATOM 390 CB GLN A 25 3.360 3.277 -14.058 1.00 0.00 C ATOM 391 CG GLN A 25 4.128 4.454 -13.451 1.00 0.00 C ATOM 392 CD GLN A 25 5.638 4.238 -13.562 1.00 0.00 C ATOM 393 OE1 GLN A 25 6.139 3.127 -13.500 1.00 0.00 O ATOM 394 NE2 GLN A 25 6.334 5.359 -13.727 1.00 0.00 N ATOM 0 H GLN A 25 0.921 3.733 -13.499 1.00 0.00 H new ATOM 0 HA GLN A 25 2.744 4.620 -15.579 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.874 2.708 -13.266 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.056 2.601 -14.555 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.850 5.376 -13.961 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.850 4.573 -12.404 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.852 6.257 -13.771 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.350 5.321 -13.810 1.00 0.00 H new ATOM 403 N GLU A 26 0.673 2.350 -16.203 1.00 0.00 N ATOM 404 CA GLU A 26 0.221 1.328 -17.132 1.00 0.00 C ATOM 405 C GLU A 26 0.818 -0.022 -16.730 1.00 0.00 C ATOM 406 O GLU A 26 1.388 -0.697 -17.599 1.00 0.00 O ATOM 407 CB GLU A 26 0.586 1.681 -18.575 1.00 0.00 C ATOM 408 CG GLU A 26 0.142 3.104 -18.921 1.00 0.00 C ATOM 409 CD GLU A 26 -0.289 3.203 -20.386 1.00 0.00 C ATOM 410 OE1 GLU A 26 0.438 2.533 -21.215 1.00 0.00 O ATOM 411 OE2 GLU A 26 -1.271 3.892 -20.699 1.00 0.00 O ATOM 0 H GLU A 26 -0.075 2.791 -15.669 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.866 1.268 -17.084 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.663 1.588 -18.714 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.114 0.973 -19.257 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.685 3.398 -18.274 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.959 3.800 -18.731 1.00 0.00 H new ATOM 418 N LEU A 27 0.677 -0.382 -15.441 1.00 0.00 N ATOM 419 CA LEU A 27 1.199 -1.640 -14.932 1.00 0.00 C ATOM 420 C LEU A 27 0.105 -2.356 -14.138 1.00 0.00 C ATOM 421 O LEU A 27 0.444 -3.206 -13.302 1.00 0.00 O ATOM 422 CB LEU A 27 2.483 -1.404 -14.135 1.00 0.00 C ATOM 423 CG LEU A 27 3.635 -0.748 -14.898 1.00 0.00 C ATOM 424 CD1 LEU A 27 4.488 0.116 -13.967 1.00 0.00 C ATOM 425 CD2 LEU A 27 4.473 -1.795 -15.634 1.00 0.00 C ATOM 0 H LEU A 27 0.204 0.189 -14.741 1.00 0.00 H new ATOM 0 HA LEU A 27 1.479 -2.298 -15.755 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.243 -0.781 -13.273 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.829 -2.363 -13.749 1.00 0.00 H new ATOM 0 HG LEU A 27 3.210 -0.086 -15.653 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.300 0.571 -14.535 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.869 0.899 -13.528 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.904 -0.505 -13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.285 -1.301 -16.168 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.888 -2.500 -14.914 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.844 -2.330 -16.345 1.00 0.00 H new ATOM 437 N GLY A 28 -1.165 -2.006 -14.411 1.00 0.00 N ATOM 438 CA GLY A 28 -2.295 -2.612 -13.727 1.00 0.00 C ATOM 439 C GLY A 28 -2.659 -3.926 -14.420 1.00 0.00 C ATOM 440 O GLY A 28 -2.764 -3.932 -15.656 1.00 0.00 O ATOM 0 H GLY A 28 -1.423 -1.304 -15.104 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.046 -2.795 -12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.148 -1.933 -13.738 1.00 0.00 H new ATOM 444 N ASP A 29 -2.844 -4.995 -13.625 1.00 0.00 N ATOM 445 CA ASP A 29 -3.194 -6.300 -14.159 1.00 0.00 C ATOM 446 C ASP A 29 -4.713 -6.390 -14.320 1.00 0.00 C ATOM 447 O ASP A 29 -5.177 -6.544 -15.460 1.00 0.00 O ATOM 448 CB ASP A 29 -2.752 -7.419 -13.213 1.00 0.00 C ATOM 449 CG ASP A 29 -2.401 -6.966 -11.795 1.00 0.00 C ATOM 450 OD1 ASP A 29 -3.011 -6.031 -11.254 1.00 0.00 O ATOM 451 OD2 ASP A 29 -1.444 -7.623 -11.233 1.00 0.00 O ATOM 0 H ASP A 29 -2.754 -4.969 -12.609 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.690 -6.418 -15.118 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.549 -8.161 -13.155 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.884 -7.917 -13.644 1.00 0.00 H new ATOM 456 N ALA A 30 -5.444 -6.295 -13.195 1.00 0.00 N ATOM 457 CA ALA A 30 -6.896 -6.364 -13.212 1.00 0.00 C ATOM 458 C ALA A 30 -7.417 -6.383 -11.775 1.00 0.00 C ATOM 459 O ALA A 30 -8.386 -5.663 -11.489 1.00 0.00 O ATOM 460 CB ALA A 30 -7.340 -7.683 -13.848 1.00 0.00 C ATOM 0 H ALA A 30 -5.041 -6.170 -12.266 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.277 -5.507 -13.767 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.429 -7.733 -13.860 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.963 -7.740 -14.869 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.945 -8.517 -13.269 1.00 0.00 H new ATOM 466 N PRO A 31 -6.777 -7.193 -10.912 1.00 0.00 N ATOM 467 CA PRO A 31 -7.147 -7.326 -9.514 1.00 0.00 C ATOM 468 C PRO A 31 -6.699 -6.105 -8.709 1.00 0.00 C ATOM 469 O PRO A 31 -7.460 -5.661 -7.836 1.00 0.00 O ATOM 470 CB PRO A 31 -6.485 -8.615 -9.053 1.00 0.00 C ATOM 471 CG PRO A 31 -5.396 -8.911 -10.072 1.00 0.00 C ATOM 472 CD PRO A 31 -5.639 -8.028 -11.285 1.00 0.00 C ATOM 0 HA PRO A 31 -8.226 -7.372 -9.368 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.065 -8.503 -8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.207 -9.430 -9.005 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.412 -8.713 -9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.415 -9.963 -10.356 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.763 -7.423 -11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.858 -8.624 -12.171 1.00 0.00 H new ATOM 480 N PHE A 32 -5.491 -5.595 -9.009 1.00 0.00 N ATOM 481 CA PHE A 32 -4.950 -4.437 -8.320 1.00 0.00 C ATOM 482 C PHE A 32 -5.842 -3.223 -8.593 1.00 0.00 C ATOM 483 O PHE A 32 -6.121 -2.471 -7.647 1.00 0.00 O ATOM 484 CB PHE A 32 -3.512 -4.180 -8.809 1.00 0.00 C ATOM 485 CG PHE A 32 -2.955 -2.807 -8.452 1.00 0.00 C ATOM 486 CD1 PHE A 32 -3.123 -2.285 -7.149 1.00 0.00 C ATOM 487 CD2 PHE A 32 -2.272 -2.045 -9.428 1.00 0.00 C ATOM 488 CE1 PHE A 32 -2.609 -1.012 -6.823 1.00 0.00 C ATOM 489 CE2 PHE A 32 -1.760 -0.771 -9.101 1.00 0.00 C ATOM 490 CZ PHE A 32 -1.928 -0.254 -7.799 1.00 0.00 C ATOM 0 H PHE A 32 -4.878 -5.977 -9.729 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.926 -4.617 -7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.858 -4.943 -8.388 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.484 -4.298 -9.892 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.646 -2.862 -6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.142 -2.439 -10.425 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.737 -0.618 -5.826 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.239 -0.191 -9.848 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.536 0.721 -7.550 1.00 0.00 H new ATOM 500 N LEU A 33 -6.262 -3.058 -9.860 1.00 0.00 N ATOM 501 CA LEU A 33 -7.113 -1.947 -10.250 1.00 0.00 C ATOM 502 C LEU A 33 -8.474 -2.085 -9.564 1.00 0.00 C ATOM 503 O LEU A 33 -8.934 -1.104 -8.963 1.00 0.00 O ATOM 504 CB LEU A 33 -7.201 -1.849 -11.775 1.00 0.00 C ATOM 505 CG LEU A 33 -7.838 -0.574 -12.329 1.00 0.00 C ATOM 506 CD1 LEU A 33 -7.429 0.647 -11.502 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.509 -0.397 -13.813 1.00 0.00 C ATOM 0 H LEU A 33 -6.019 -3.688 -10.625 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.682 -1.003 -9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.194 -1.936 -12.184 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.769 -2.704 -12.142 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.921 -0.670 -12.248 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.895 1.540 -11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.755 0.513 -10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.345 0.758 -11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.974 0.517 -14.182 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.428 -0.332 -13.941 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.890 -1.250 -14.374 1.00 0.00 H new ATOM 519 N ASP A 34 -9.080 -3.283 -9.665 1.00 0.00 N ATOM 520 CA ASP A 34 -10.374 -3.543 -9.057 1.00 0.00 C ATOM 521 C ASP A 34 -10.310 -3.208 -7.566 1.00 0.00 C ATOM 522 O ASP A 34 -11.245 -2.566 -7.065 1.00 0.00 O ATOM 523 CB ASP A 34 -10.759 -5.017 -9.194 1.00 0.00 C ATOM 524 CG ASP A 34 -12.135 -5.381 -8.633 1.00 0.00 C ATOM 525 OD1 ASP A 34 -12.891 -4.376 -8.349 1.00 0.00 O ATOM 526 OD2 ASP A 34 -12.468 -6.565 -8.476 1.00 0.00 O ATOM 0 H ASP A 34 -8.684 -4.079 -10.165 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.115 -2.927 -9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.730 -5.288 -10.249 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.006 -5.622 -8.689 1.00 0.00 H new ATOM 531 N ARG A 35 -9.226 -3.640 -6.898 1.00 0.00 N ATOM 532 CA ARG A 35 -9.044 -3.387 -5.478 1.00 0.00 C ATOM 533 C ARG A 35 -8.935 -1.879 -5.243 1.00 0.00 C ATOM 534 O ARG A 35 -9.490 -1.396 -4.245 1.00 0.00 O ATOM 535 CB ARG A 35 -7.788 -4.073 -4.939 1.00 0.00 C ATOM 536 CG ARG A 35 -7.979 -5.588 -4.864 1.00 0.00 C ATOM 537 CD ARG A 35 -6.636 -6.316 -4.957 1.00 0.00 C ATOM 538 NE ARG A 35 -5.549 -5.434 -4.477 1.00 0.00 N ATOM 539 CZ ARG A 35 -4.812 -5.673 -3.371 1.00 0.00 C ATOM 540 NH1 ARG A 35 -5.064 -6.772 -2.648 1.00 0.00 N ATOM 541 NH2 ARG A 35 -3.844 -4.824 -3.003 1.00 0.00 N ATOM 0 H ARG A 35 -8.467 -4.167 -7.330 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.906 -3.795 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.939 -3.842 -5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.553 -3.683 -3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.474 -5.850 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.631 -5.916 -5.673 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.665 -7.228 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.445 -6.614 -5.988 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.343 -4.592 -5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.803 -7.413 -2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.517 -6.968 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.659 -3.989 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.292 -5.012 -2.166 1.00 0.00 H new ATOM 555 N LEU A 36 -8.234 -1.177 -6.151 1.00 0.00 N ATOM 556 CA LEU A 36 -8.055 0.260 -6.043 1.00 0.00 C ATOM 557 C LEU A 36 -9.423 0.944 -6.082 1.00 0.00 C ATOM 558 O LEU A 36 -9.639 1.879 -5.297 1.00 0.00 O ATOM 559 CB LEU A 36 -7.086 0.763 -7.115 1.00 0.00 C ATOM 560 CG LEU A 36 -6.779 2.261 -7.094 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.087 2.661 -5.790 1.00 0.00 C ATOM 562 CD2 LEU A 36 -5.967 2.672 -8.323 1.00 0.00 C ATOM 0 H LEU A 36 -7.785 -1.594 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.597 0.515 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.147 0.219 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.495 0.510 -8.093 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.724 2.803 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.880 3.731 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.736 2.426 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.151 2.111 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.763 3.742 -8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.025 2.123 -8.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.533 2.444 -9.226 1.00 0.00 H new ATOM 574 N ARG A 37 -10.306 0.472 -6.980 1.00 0.00 N ATOM 575 CA ARG A 37 -11.640 1.034 -7.118 1.00 0.00 C ATOM 576 C ARG A 37 -12.413 0.827 -5.814 1.00 0.00 C ATOM 577 O ARG A 37 -12.883 1.822 -5.243 1.00 0.00 O ATOM 578 CB ARG A 37 -12.410 0.383 -8.268 1.00 0.00 C ATOM 579 CG ARG A 37 -11.904 0.888 -9.621 1.00 0.00 C ATOM 580 CD ARG A 37 -11.968 -0.217 -10.677 1.00 0.00 C ATOM 581 NE ARG A 37 -13.379 -0.566 -10.959 1.00 0.00 N ATOM 582 CZ ARG A 37 -13.782 -1.765 -11.433 1.00 0.00 C ATOM 583 NH1 ARG A 37 -12.864 -2.712 -11.669 1.00 0.00 N ATOM 584 NH2 ARG A 37 -15.081 -2.003 -11.663 1.00 0.00 N ATOM 0 H ARG A 37 -10.109 -0.299 -7.617 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.538 2.097 -7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.301 -0.700 -8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.473 0.602 -8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.504 1.739 -9.943 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.878 1.241 -9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.477 0.114 -11.592 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.430 -1.098 -10.327 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.091 0.143 -10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.878 -2.522 -11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.151 -3.623 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.773 -1.276 -11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.378 -2.911 -12.021 1.00 0.00 H new ATOM 598 N ARG A 38 -12.527 -0.440 -5.376 1.00 0.00 N ATOM 599 CA ARG A 38 -13.236 -0.770 -4.152 1.00 0.00 C ATOM 600 C ARG A 38 -12.605 -0.014 -2.982 1.00 0.00 C ATOM 601 O ARG A 38 -13.332 0.322 -2.035 1.00 0.00 O ATOM 602 CB ARG A 38 -13.193 -2.272 -3.863 1.00 0.00 C ATOM 603 CG ARG A 38 -13.644 -3.078 -5.082 1.00 0.00 C ATOM 604 CD ARG A 38 -14.526 -4.257 -4.663 1.00 0.00 C ATOM 605 NE ARG A 38 -15.918 -4.030 -5.108 1.00 0.00 N ATOM 606 CZ ARG A 38 -16.813 -5.017 -5.328 1.00 0.00 C ATOM 607 NH1 ARG A 38 -16.437 -6.289 -5.137 1.00 0.00 N ATOM 608 NH2 ARG A 38 -18.058 -4.730 -5.730 1.00 0.00 N ATOM 0 H ARG A 38 -12.132 -1.245 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.279 -0.478 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.180 -2.563 -3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.836 -2.501 -3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.194 -2.432 -5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.772 -3.446 -5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.143 -5.181 -5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.497 -4.377 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.221 -3.068 -5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.487 -6.499 -4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -17.100 -7.047 -5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -18.337 -3.759 -5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.727 -5.482 -5.894 1.00 0.00 H new ATOM 622 N ASP A 39 -11.286 0.235 -3.067 1.00 0.00 N ATOM 623 CA ASP A 39 -10.567 0.945 -2.023 1.00 0.00 C ATOM 624 C ASP A 39 -10.971 2.421 -2.044 1.00 0.00 C ATOM 625 O ASP A 39 -11.060 3.024 -0.965 1.00 0.00 O ATOM 626 CB ASP A 39 -9.055 0.866 -2.243 1.00 0.00 C ATOM 627 CG ASP A 39 -8.375 -0.355 -1.619 1.00 0.00 C ATOM 628 OD1 ASP A 39 -8.986 -1.425 -1.480 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.148 -0.174 -1.265 1.00 0.00 O ATOM 0 H ASP A 39 -10.705 -0.051 -3.855 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.817 0.483 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.858 0.865 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.596 1.767 -1.836 1.00 0.00 H new ATOM 634 N GLN A 40 -11.203 2.964 -3.252 1.00 0.00 N ATOM 635 CA GLN A 40 -11.592 4.355 -3.409 1.00 0.00 C ATOM 636 C GLN A 40 -12.957 4.576 -2.752 1.00 0.00 C ATOM 637 O GLN A 40 -13.093 5.538 -1.983 1.00 0.00 O ATOM 638 CB GLN A 40 -11.620 4.769 -4.882 1.00 0.00 C ATOM 639 CG GLN A 40 -12.051 6.229 -5.034 1.00 0.00 C ATOM 640 CD GLN A 40 -10.844 7.166 -4.962 1.00 0.00 C ATOM 641 OE1 GLN A 40 -10.247 7.188 -3.774 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -10.479 7.826 -5.921 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.125 2.450 -4.129 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.849 4.983 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.632 4.630 -5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.306 4.125 -5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.564 6.363 -5.986 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.763 6.486 -4.249 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.983 7.762 -6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.670 8.442 -5.838 1.00 0.00 H new ATOM 651 N LYS A 41 -13.924 3.695 -3.064 1.00 0.00 N ATOM 652 CA LYS A 41 -15.263 3.792 -2.507 1.00 0.00 C ATOM 653 C LYS A 41 -15.181 3.759 -0.981 1.00 0.00 C ATOM 654 O LYS A 41 -15.877 4.554 -0.334 1.00 0.00 O ATOM 655 CB LYS A 41 -16.169 2.710 -3.098 1.00 0.00 C ATOM 656 CG LYS A 41 -16.726 3.142 -4.457 1.00 0.00 C ATOM 657 CD LYS A 41 -18.252 3.044 -4.481 1.00 0.00 C ATOM 658 CE LYS A 41 -18.887 4.161 -3.649 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.052 4.726 -4.348 1.00 0.00 N ATOM 0 H LYS A 41 -13.791 2.910 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.720 4.743 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.608 1.782 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.991 2.505 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.421 4.166 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -16.305 2.514 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.608 3.105 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.564 2.074 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.192 3.771 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.153 4.945 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.471 5.482 -3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.752 5.117 -5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.758 3.979 -4.505 1.00 0.00 H new ATOM 673 N SER A 42 -14.344 2.853 -0.443 1.00 0.00 N ATOM 674 CA SER A 42 -14.174 2.720 0.994 1.00 0.00 C ATOM 675 C SER A 42 -13.472 3.965 1.539 1.00 0.00 C ATOM 676 O SER A 42 -13.831 4.410 2.640 1.00 0.00 O ATOM 677 CB SER A 42 -13.375 1.463 1.349 1.00 0.00 C ATOM 678 OG SER A 42 -13.360 1.220 2.753 1.00 0.00 O ATOM 0 H SER A 42 -13.779 2.206 -0.993 1.00 0.00 H new ATOM 0 HA SER A 42 -15.159 2.624 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.806 0.603 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.352 1.570 0.988 1.00 0.00 H new ATOM 0 HG SER A 42 -12.842 0.409 2.939 1.00 0.00 H new ATOM 684 N LEU A 43 -12.504 4.496 0.770 1.00 0.00 N ATOM 685 CA LEU A 43 -11.763 5.679 1.173 1.00 0.00 C ATOM 686 C LEU A 43 -12.717 6.873 1.246 1.00 0.00 C ATOM 687 O LEU A 43 -12.545 7.711 2.143 1.00 0.00 O ATOM 688 CB LEU A 43 -10.567 5.902 0.247 1.00 0.00 C ATOM 689 CG LEU A 43 -9.190 5.600 0.843 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.841 4.118 0.691 1.00 0.00 C ATOM 691 CD2 LEU A 43 -8.119 6.506 0.235 1.00 0.00 C ATOM 0 H LEU A 43 -12.225 4.115 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.344 5.545 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.700 5.284 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.578 6.941 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.225 5.815 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.858 3.930 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.586 3.514 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.830 3.853 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.150 6.271 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.076 6.346 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.366 7.548 0.437 1.00 0.00 H new ATOM 703 N ARG A 44 -13.687 6.927 0.316 1.00 0.00 N ATOM 704 CA ARG A 44 -14.656 8.008 0.275 1.00 0.00 C ATOM 705 C ARG A 44 -15.575 7.910 1.494 1.00 0.00 C ATOM 706 O ARG A 44 -15.928 8.959 2.052 1.00 0.00 O ATOM 707 CB ARG A 44 -15.503 7.958 -0.998 1.00 0.00 C ATOM 708 CG ARG A 44 -14.844 8.754 -2.127 1.00 0.00 C ATOM 709 CD ARG A 44 -14.722 7.908 -3.396 1.00 0.00 C ATOM 710 NE ARG A 44 -15.966 8.006 -4.191 1.00 0.00 N ATOM 711 CZ ARG A 44 -15.997 8.139 -5.534 1.00 0.00 C ATOM 712 NH1 ARG A 44 -14.841 8.188 -6.209 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.167 8.221 -6.183 1.00 0.00 N ATOM 0 H ARG A 44 -13.811 6.226 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.110 8.951 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.637 6.922 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.495 8.361 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.431 9.648 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.855 9.088 -1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.874 8.248 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.530 6.868 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.856 7.971 -3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.955 8.125 -5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.847 8.288 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.043 8.183 -5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.181 8.321 -7.198 1.00 0.00 H new ATOM 727 N GLY A 45 -15.938 6.673 1.877 1.00 0.00 N ATOM 728 CA GLY A 45 -16.806 6.444 3.019 1.00 0.00 C ATOM 729 C GLY A 45 -16.101 6.917 4.293 1.00 0.00 C ATOM 730 O GLY A 45 -16.751 7.580 5.115 1.00 0.00 O ATOM 0 H GLY A 45 -15.636 5.822 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.746 6.980 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.051 5.385 3.097 1.00 0.00 H new ATOM 734 N ARG A 46 -14.809 6.571 4.430 1.00 0.00 N ATOM 735 CA ARG A 46 -14.028 6.958 5.593 1.00 0.00 C ATOM 736 C ARG A 46 -13.745 8.461 5.534 1.00 0.00 C ATOM 737 O ARG A 46 -13.748 9.102 6.595 1.00 0.00 O ATOM 738 CB ARG A 46 -12.700 6.199 5.658 1.00 0.00 C ATOM 739 CG ARG A 46 -12.924 4.738 6.053 1.00 0.00 C ATOM 740 CD ARG A 46 -11.628 4.103 6.559 1.00 0.00 C ATOM 741 NE ARG A 46 -11.932 3.075 7.580 1.00 0.00 N ATOM 742 CZ ARG A 46 -11.114 2.761 8.606 1.00 0.00 C ATOM 743 NH1 ARG A 46 -9.948 3.411 8.729 1.00 0.00 N ATOM 744 NH2 ARG A 46 -11.462 1.817 9.491 1.00 0.00 N ATOM 0 H ARG A 46 -14.293 6.023 3.742 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.605 6.712 6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.202 6.246 4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.038 6.678 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.688 4.680 6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.297 4.178 5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.086 3.652 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.980 4.869 6.984 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.816 2.572 7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.691 4.130 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.318 3.186 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.352 1.329 9.392 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.837 1.587 10.263 1.00 0.00 H new ATOM 758 N GLY A 47 -13.509 8.983 4.317 1.00 0.00 N ATOM 759 CA GLY A 47 -13.228 10.396 4.127 1.00 0.00 C ATOM 760 C GLY A 47 -14.436 11.218 4.579 1.00 0.00 C ATOM 761 O GLY A 47 -14.234 12.286 5.175 1.00 0.00 O ATOM 0 H GLY A 47 -13.510 8.437 3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.345 10.683 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.009 10.597 3.078 1.00 0.00 H new ATOM 765 N SER A 48 -15.649 10.712 4.292 1.00 0.00 N ATOM 766 CA SER A 48 -16.877 11.395 4.666 1.00 0.00 C ATOM 767 C SER A 48 -17.135 11.188 6.160 1.00 0.00 C ATOM 768 O SER A 48 -17.379 12.182 6.859 1.00 0.00 O ATOM 769 CB SER A 48 -18.068 10.895 3.847 1.00 0.00 C ATOM 770 OG SER A 48 -18.865 11.969 3.354 1.00 0.00 O ATOM 0 H SER A 48 -15.793 9.830 3.801 1.00 0.00 H new ATOM 0 HA SER A 48 -16.760 12.458 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.707 10.297 3.010 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.683 10.240 4.464 1.00 0.00 H new ATOM 0 HG SER A 48 -19.614 11.609 2.835 1.00 0.00 H new ATOM 776 N THR A 49 -17.076 9.923 6.612 1.00 0.00 N ATOM 777 CA THR A 49 -17.301 9.592 8.009 1.00 0.00 C ATOM 778 C THR A 49 -16.321 10.379 8.880 1.00 0.00 C ATOM 779 O THR A 49 -16.780 11.171 9.716 1.00 0.00 O ATOM 780 CB THR A 49 -17.182 8.076 8.177 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.200 7.551 7.330 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.585 7.609 9.578 1.00 0.00 C ATOM 0 H THR A 49 -16.873 9.118 6.019 1.00 0.00 H new ATOM 0 HA THR A 49 -18.302 9.877 8.332 1.00 0.00 H new ATOM 0 HB THR A 49 -16.157 7.768 7.972 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.848 7.447 6.421 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.482 6.526 9.644 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.939 8.081 10.319 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.621 7.888 9.770 1.00 0.00 H new ATOM 790 N LEU A 50 -15.012 10.152 8.669 1.00 0.00 N ATOM 791 CA LEU A 50 -13.980 10.835 9.430 1.00 0.00 C ATOM 792 C LEU A 50 -13.988 12.323 9.070 1.00 0.00 C ATOM 793 O LEU A 50 -13.617 13.138 9.928 1.00 0.00 O ATOM 794 CB LEU A 50 -12.623 10.160 9.220 1.00 0.00 C ATOM 795 CG LEU A 50 -12.561 8.666 9.542 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.301 8.029 8.952 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.672 8.424 11.049 1.00 0.00 C ATOM 0 H LEU A 50 -14.655 9.497 7.973 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.184 10.763 10.498 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.327 10.300 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.884 10.675 9.834 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.417 8.181 9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.282 6.967 9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.304 8.153 7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.419 8.513 9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.625 7.354 11.250 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.850 8.925 11.560 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.620 8.820 11.412 1.00 0.00 H new ATOM 809 N GLY A 51 -14.403 12.641 7.831 1.00 0.00 N ATOM 810 CA GLY A 51 -14.458 14.016 7.367 1.00 0.00 C ATOM 811 C GLY A 51 -13.036 14.563 7.236 1.00 0.00 C ATOM 812 O GLY A 51 -12.852 15.776 7.412 1.00 0.00 O ATOM 0 H GLY A 51 -14.704 11.954 7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.970 14.067 6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.031 14.625 8.066 1.00 0.00 H new ATOM 816 N LEU A 52 -12.073 13.673 6.936 1.00 0.00 N ATOM 817 CA LEU A 52 -10.682 14.063 6.784 1.00 0.00 C ATOM 818 C LEU A 52 -10.361 14.223 5.297 1.00 0.00 C ATOM 819 O LEU A 52 -10.868 13.425 4.494 1.00 0.00 O ATOM 820 CB LEU A 52 -9.766 13.075 7.507 1.00 0.00 C ATOM 821 CG LEU A 52 -9.514 13.357 8.990 1.00 0.00 C ATOM 822 CD1 LEU A 52 -8.816 12.172 9.662 1.00 0.00 C ATOM 823 CD2 LEU A 52 -8.736 14.661 9.177 1.00 0.00 C ATOM 0 H LEU A 52 -12.246 12.678 6.796 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.505 15.030 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.196 12.077 7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.805 13.057 6.992 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.478 13.485 9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.648 12.398 10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.443 11.284 9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.859 11.989 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.571 14.837 10.240 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.775 14.588 8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.307 15.489 8.757 1.00 0.00 H new ATOM 835 N ASN A 53 -9.541 15.235 4.962 1.00 0.00 N ATOM 836 CA ASN A 53 -9.158 15.494 3.585 1.00 0.00 C ATOM 837 C ASN A 53 -8.217 14.388 3.104 1.00 0.00 C ATOM 838 O ASN A 53 -7.244 14.092 3.814 1.00 0.00 O ATOM 839 CB ASN A 53 -8.421 16.830 3.460 1.00 0.00 C ATOM 840 CG ASN A 53 -8.521 17.380 2.035 1.00 0.00 C ATOM 841 OD1 ASN A 53 -8.109 16.531 1.099 1.00 0.00 O flip ATOM 842 ND2 ASN A 53 -8.943 18.500 1.804 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.136 15.883 5.638 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.066 15.525 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.843 17.549 4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.373 16.698 3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.243 19.100 2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.996 18.837 0.843 1.00 0.00 H new ATOM 849 N ILE A 54 -8.520 13.810 1.929 1.00 0.00 N ATOM 850 CA ILE A 54 -7.706 12.746 1.362 1.00 0.00 C ATOM 851 C ILE A 54 -6.325 13.301 1.009 1.00 0.00 C ATOM 852 O ILE A 54 -5.330 12.601 1.247 1.00 0.00 O ATOM 853 CB ILE A 54 -8.426 12.092 0.181 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.375 10.992 0.660 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.426 11.576 -0.854 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.411 11.548 1.639 1.00 0.00 C ATOM 0 H ILE A 54 -9.326 14.069 1.360 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.554 11.951 2.092 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.034 12.851 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.881 10.546 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.804 10.198 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.965 11.116 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.827 12.407 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.772 10.837 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.073 10.745 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.903 11.972 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.997 12.324 1.147 1.00 0.00 H new ATOM 868 N GLU A 55 -6.290 14.527 0.457 1.00 0.00 N ATOM 869 CA GLU A 55 -5.042 15.166 0.077 1.00 0.00 C ATOM 870 C GLU A 55 -4.176 15.368 1.322 1.00 0.00 C ATOM 871 O GLU A 55 -2.972 15.085 1.255 1.00 0.00 O ATOM 872 CB GLU A 55 -5.286 16.494 -0.642 1.00 0.00 C ATOM 873 CG GLU A 55 -5.824 16.262 -2.056 1.00 0.00 C ATOM 874 CD GLU A 55 -5.916 17.578 -2.830 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.034 18.464 -2.509 1.00 0.00 O ATOM 876 OE2 GLU A 55 -6.793 17.730 -3.694 1.00 0.00 O ATOM 0 H GLU A 55 -7.121 15.087 0.268 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.518 14.517 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.996 17.094 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.356 17.061 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.173 15.568 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.809 15.798 -2.003 1.00 0.00 H new ATOM 883 N ALA A 56 -4.797 15.845 2.416 1.00 0.00 N ATOM 884 CA ALA A 56 -4.089 16.081 3.662 1.00 0.00 C ATOM 885 C ALA A 56 -3.638 14.742 4.249 1.00 0.00 C ATOM 886 O ALA A 56 -2.533 14.685 4.808 1.00 0.00 O ATOM 887 CB ALA A 56 -5.042 16.700 4.687 1.00 0.00 C ATOM 0 H ALA A 56 -5.791 16.071 2.450 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.243 16.738 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.508 16.876 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.424 17.646 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.874 16.019 4.868 1.00 0.00 H new ATOM 893 N ALA A 57 -4.488 13.709 4.113 1.00 0.00 N ATOM 894 CA ALA A 57 -4.179 12.385 4.626 1.00 0.00 C ATOM 895 C ALA A 57 -2.973 11.820 3.874 1.00 0.00 C ATOM 896 O ALA A 57 -2.083 11.254 4.526 1.00 0.00 O ATOM 897 CB ALA A 57 -5.345 11.437 4.341 1.00 0.00 C ATOM 0 H ALA A 57 -5.394 13.777 3.649 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.986 12.466 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.110 10.445 4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.246 11.812 4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.511 11.378 3.265 1.00 0.00 H new ATOM 903 N THR A 58 -2.966 11.981 2.538 1.00 0.00 N ATOM 904 CA THR A 58 -1.879 11.491 1.709 1.00 0.00 C ATOM 905 C THR A 58 -0.582 12.198 2.105 1.00 0.00 C ATOM 906 O THR A 58 0.475 11.548 2.082 1.00 0.00 O ATOM 907 CB THR A 58 -2.256 11.692 0.239 1.00 0.00 C ATOM 908 OG1 THR A 58 -3.396 10.858 0.056 1.00 0.00 O ATOM 909 CG2 THR A 58 -1.212 11.113 -0.718 1.00 0.00 C ATOM 0 H THR A 58 -3.709 12.450 2.020 1.00 0.00 H new ATOM 0 HA THR A 58 -1.711 10.424 1.858 1.00 0.00 H new ATOM 0 HB THR A 58 -2.381 12.756 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.192 11.311 0.404 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.528 11.282 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.252 11.601 -0.548 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.111 10.042 -0.541 1.00 0.00 H new ATOM 917 N HIS A 59 -0.684 13.492 2.457 1.00 0.00 N ATOM 918 CA HIS A 59 0.473 14.276 2.854 1.00 0.00 C ATOM 919 C HIS A 59 1.047 13.708 4.154 1.00 0.00 C ATOM 920 O HIS A 59 2.169 13.181 4.122 1.00 0.00 O ATOM 921 CB HIS A 59 0.119 15.759 2.963 1.00 0.00 C ATOM 922 CG HIS A 59 0.070 16.478 1.635 1.00 0.00 C ATOM 923 ND1 HIS A 59 -0.472 16.107 0.440 1.00 0.00 N flip ATOM 924 CD2 HIS A 59 0.627 17.731 1.439 1.00 0.00 C flip ATOM 925 CE1 HIS A 59 -0.260 17.079 -0.438 1.00 0.00 C flip ATOM 926 NE2 HIS A 59 0.421 18.087 0.179 1.00 0.00 N flip ATOM 0 H HIS A 59 -1.564 14.008 2.471 1.00 0.00 H new ATOM 0 HA HIS A 59 1.245 14.206 2.088 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.850 15.856 3.453 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.851 16.251 3.604 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -0.958 15.230 0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.141 18.318 2.186 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.575 17.073 -1.471 1.00 0.00 H new ATOM 934 N VAL A 60 0.279 13.822 5.252 1.00 0.00 N ATOM 935 CA VAL A 60 0.709 13.323 6.547 1.00 0.00 C ATOM 936 C VAL A 60 1.255 11.903 6.387 1.00 0.00 C ATOM 937 O VAL A 60 2.255 11.578 7.043 1.00 0.00 O ATOM 938 CB VAL A 60 -0.443 13.412 7.551 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.089 12.697 8.857 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.833 14.868 7.811 1.00 0.00 C ATOM 0 H VAL A 60 -0.643 14.258 5.256 1.00 0.00 H new ATOM 0 HA VAL A 60 1.517 13.938 6.944 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.306 12.907 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.924 12.775 9.553 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.116 11.646 8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.794 13.160 9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.654 14.902 8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.024 15.408 8.214 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.148 15.333 6.877 1.00 0.00 H new ATOM 950 N GLY A 61 0.598 11.099 5.532 1.00 0.00 N ATOM 951 CA GLY A 61 1.014 9.728 5.290 1.00 0.00 C ATOM 952 C GLY A 61 2.446 9.722 4.751 1.00 0.00 C ATOM 953 O GLY A 61 3.263 8.940 5.257 1.00 0.00 O ATOM 0 H GLY A 61 -0.224 11.387 5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.958 9.151 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.342 9.253 4.575 1.00 0.00 H new ATOM 957 N LYS A 62 2.716 10.581 3.750 1.00 0.00 N ATOM 958 CA LYS A 62 4.036 10.673 3.151 1.00 0.00 C ATOM 959 C LYS A 62 5.081 10.855 4.255 1.00 0.00 C ATOM 960 O LYS A 62 6.170 10.273 4.137 1.00 0.00 O ATOM 961 CB LYS A 62 4.066 11.772 2.088 1.00 0.00 C ATOM 962 CG LYS A 62 5.503 12.087 1.665 1.00 0.00 C ATOM 963 CD LYS A 62 6.183 10.852 1.069 1.00 0.00 C ATOM 964 CE LYS A 62 7.486 10.536 1.805 1.00 0.00 C ATOM 965 NZ LYS A 62 8.622 10.550 0.870 1.00 0.00 N ATOM 0 H LYS A 62 2.028 11.217 3.347 1.00 0.00 H new ATOM 0 HA LYS A 62 4.283 9.749 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.488 11.458 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.592 12.673 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.502 12.895 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.071 12.439 2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.510 9.997 1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.390 11.020 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.650 11.267 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.413 9.559 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.296 9.803 1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.278 10.382 -0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.096 11.475 0.913 1.00 0.00 H new ATOM 979 N GLN A 63 4.736 11.646 5.286 1.00 0.00 N ATOM 980 CA GLN A 63 5.637 11.900 6.397 1.00 0.00 C ATOM 981 C GLN A 63 5.758 10.636 7.250 1.00 0.00 C ATOM 982 O GLN A 63 6.869 10.341 7.716 1.00 0.00 O ATOM 983 CB GLN A 63 5.169 13.088 7.239 1.00 0.00 C ATOM 984 CG GLN A 63 5.864 14.378 6.802 1.00 0.00 C ATOM 985 CD GLN A 63 5.378 14.820 5.419 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.085 14.598 5.203 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 6.129 15.329 4.602 1.00 0.00 N flip ATOM 0 H GLN A 63 3.834 12.117 5.362 1.00 0.00 H new ATOM 0 HA GLN A 63 6.618 12.160 5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.089 13.202 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.378 12.897 8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.668 15.166 7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.943 14.225 6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.112 15.471 4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.773 15.612 3.689 1.00 0.00 H new ATOM 996 N ILE A 64 4.631 9.925 7.435 1.00 0.00 N ATOM 997 CA ILE A 64 4.611 8.706 8.225 1.00 0.00 C ATOM 998 C ILE A 64 5.594 7.698 7.625 1.00 0.00 C ATOM 999 O ILE A 64 6.267 7.000 8.397 1.00 0.00 O ATOM 1000 CB ILE A 64 3.183 8.171 8.350 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.383 8.978 9.376 1.00 0.00 C ATOM 1002 CG2 ILE A 64 3.183 6.675 8.671 1.00 0.00 C ATOM 1003 CD1 ILE A 64 2.833 8.649 10.801 1.00 0.00 C ATOM 0 H ILE A 64 3.726 10.184 7.042 1.00 0.00 H new ATOM 0 HA ILE A 64 4.942 8.908 9.244 1.00 0.00 H new ATOM 0 HB ILE A 64 2.687 8.293 7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.512 10.044 9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.320 8.761 9.267 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.156 6.321 8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.691 6.132 7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.703 6.505 9.614 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.250 9.235 11.511 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.680 7.587 10.995 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.890 8.890 10.914 1.00 0.00 H new ATOM 1015 N VAL A 65 5.656 7.643 6.282 1.00 0.00 N ATOM 1016 CA VAL A 65 6.548 6.730 5.589 1.00 0.00 C ATOM 1017 C VAL A 65 7.988 7.229 5.725 1.00 0.00 C ATOM 1018 O VAL A 65 8.873 6.409 6.011 1.00 0.00 O ATOM 1019 CB VAL A 65 6.106 6.571 4.133 1.00 0.00 C ATOM 1020 CG1 VAL A 65 7.200 5.903 3.298 1.00 0.00 C ATOM 1021 CG2 VAL A 65 4.793 5.791 4.041 1.00 0.00 C ATOM 0 H VAL A 65 5.092 8.227 5.664 1.00 0.00 H new ATOM 0 HA VAL A 65 6.504 5.738 6.039 1.00 0.00 H new ATOM 0 HB VAL A 65 5.934 7.567 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.860 5.802 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.102 6.514 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.418 4.916 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.501 5.692 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.927 4.800 4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.014 6.324 4.586 1.00 0.00 H new ATOM 1031 N GLU A 66 8.191 8.543 5.520 1.00 0.00 N ATOM 1032 CA GLU A 66 9.511 9.142 5.619 1.00 0.00 C ATOM 1033 C GLU A 66 10.049 8.950 7.039 1.00 0.00 C ATOM 1034 O GLU A 66 11.274 8.845 7.196 1.00 0.00 O ATOM 1035 CB GLU A 66 9.486 10.625 5.239 1.00 0.00 C ATOM 1036 CG GLU A 66 10.026 10.836 3.823 1.00 0.00 C ATOM 1037 CD GLU A 66 10.067 12.324 3.469 1.00 0.00 C ATOM 1038 OE1 GLU A 66 8.927 12.927 3.512 1.00 0.00 O ATOM 1039 OE2 GLU A 66 11.144 12.861 3.171 1.00 0.00 O ATOM 0 H GLU A 66 7.449 9.202 5.285 1.00 0.00 H new ATOM 0 HA GLU A 66 10.174 8.644 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.466 11.004 5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.084 11.196 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.027 10.412 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.398 10.305 3.107 1.00 0.00 H new ATOM 1046 N LYS A 67 9.138 8.908 8.027 1.00 0.00 N ATOM 1047 CA LYS A 67 9.518 8.729 9.419 1.00 0.00 C ATOM 1048 C LYS A 67 9.994 7.292 9.633 1.00 0.00 C ATOM 1049 O LYS A 67 10.959 7.096 10.385 1.00 0.00 O ATOM 1050 CB LYS A 67 8.373 9.144 10.345 1.00 0.00 C ATOM 1051 CG LYS A 67 8.370 10.656 10.570 1.00 0.00 C ATOM 1052 CD LYS A 67 7.755 11.007 11.927 1.00 0.00 C ATOM 1053 CE LYS A 67 7.039 12.359 11.872 1.00 0.00 C ATOM 1054 NZ LYS A 67 8.010 13.447 11.666 1.00 0.00 N ATOM 0 H LYS A 67 8.133 8.997 7.876 1.00 0.00 H new ATOM 0 HA LYS A 67 10.353 9.382 9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.421 8.835 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.470 8.631 11.302 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.390 11.037 10.519 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.808 11.145 9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.050 10.230 12.223 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.535 11.035 12.687 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.308 12.358 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.489 12.524 12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.520 14.363 11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.741 13.405 12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.455 13.343 10.732 1.00 0.00 H new ATOM 1068 N ILE A 68 9.318 6.331 8.978 1.00 0.00 N ATOM 1069 CA ILE A 68 9.669 4.925 9.096 1.00 0.00 C ATOM 1070 C ILE A 68 10.934 4.649 8.280 1.00 0.00 C ATOM 1071 O ILE A 68 11.709 3.765 8.673 1.00 0.00 O ATOM 1072 CB ILE A 68 8.483 4.041 8.707 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.610 3.729 9.925 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.954 2.771 7.998 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.128 3.917 9.601 1.00 0.00 C ATOM 0 H ILE A 68 8.525 6.514 8.363 1.00 0.00 H new ATOM 0 HA ILE A 68 9.896 4.676 10.133 1.00 0.00 H new ATOM 0 HB ILE A 68 7.864 4.592 7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.787 2.704 10.251 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.890 4.380 10.754 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.091 2.161 7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.500 3.040 7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.608 2.205 8.661 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.531 3.689 10.484 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.950 4.949 9.299 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.845 3.247 8.789 1.00 0.00 H new ATOM 1087 N LEU A 69 11.117 5.400 7.179 1.00 0.00 N ATOM 1088 CA LEU A 69 12.276 5.237 6.319 1.00 0.00 C ATOM 1089 C LEU A 69 13.499 5.864 6.995 1.00 0.00 C ATOM 1090 O LEU A 69 14.612 5.364 6.778 1.00 0.00 O ATOM 1091 CB LEU A 69 11.991 5.796 4.924 1.00 0.00 C ATOM 1092 CG LEU A 69 11.236 4.868 3.971 1.00 0.00 C ATOM 1093 CD1 LEU A 69 10.785 5.619 2.716 1.00 0.00 C ATOM 1094 CD2 LEU A 69 12.073 3.633 3.631 1.00 0.00 C ATOM 0 H LEU A 69 10.468 6.125 6.873 1.00 0.00 H new ATOM 0 HA LEU A 69 12.497 4.180 6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.418 6.716 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.940 6.065 4.461 1.00 0.00 H new ATOM 0 HG LEU A 69 10.336 4.518 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.251 4.936 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.126 6.439 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.657 6.017 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.513 2.990 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.002 3.943 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.301 3.085 4.545 1.00 0.00 H new ATOM 1106 N LYS A 70 13.270 6.927 7.785 1.00 0.00 N ATOM 1107 CA LYS A 70 14.345 7.612 8.484 1.00 0.00 C ATOM 1108 C LYS A 70 14.948 6.674 9.530 1.00 0.00 C ATOM 1109 O LYS A 70 16.137 6.826 9.845 1.00 0.00 O ATOM 1110 CB LYS A 70 13.848 8.939 9.061 1.00 0.00 C ATOM 1111 CG LYS A 70 15.009 9.909 9.285 1.00 0.00 C ATOM 1112 CD LYS A 70 15.057 10.970 8.183 1.00 0.00 C ATOM 1113 CE LYS A 70 15.237 10.325 6.807 1.00 0.00 C ATOM 1114 NZ LYS A 70 16.623 9.863 6.631 1.00 0.00 N ATOM 0 H LYS A 70 12.344 7.323 7.949 1.00 0.00 H new ATOM 0 HA LYS A 70 15.145 7.872 7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.122 9.386 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.333 8.759 10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.902 10.393 10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.949 9.358 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.138 11.555 8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.878 11.661 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.551 9.485 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.985 11.043 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.021 10.281 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.193 10.155 7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.636 8.826 6.552 1.00 0.00 H new ATOM 1128 N GLU A 71 14.130 5.736 10.040 1.00 0.00 N ATOM 1129 CA GLU A 71 14.579 4.782 11.041 1.00 0.00 C ATOM 1130 C GLU A 71 15.362 3.660 10.354 1.00 0.00 C ATOM 1131 O GLU A 71 16.119 2.963 11.045 1.00 0.00 O ATOM 1132 CB GLU A 71 13.408 4.221 11.849 1.00 0.00 C ATOM 1133 CG GLU A 71 12.161 5.091 11.685 1.00 0.00 C ATOM 1134 CD GLU A 71 11.061 4.662 12.657 1.00 0.00 C ATOM 1135 OE1 GLU A 71 10.928 3.465 12.953 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.328 5.622 13.111 1.00 0.00 O ATOM 0 H GLU A 71 13.153 5.627 9.767 1.00 0.00 H new ATOM 0 HA GLU A 71 15.232 5.296 11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.191 3.204 11.523 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.682 4.167 12.903 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.417 6.136 11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.795 5.018 10.661 1.00 0.00 H new ATOM 1199 N SER B 3 3.466 -9.173 -17.754 1.00 0.00 N ATOM 1200 CA SER B 3 4.496 -8.523 -16.961 1.00 0.00 C ATOM 1201 C SER B 3 3.838 -7.583 -15.950 1.00 0.00 C ATOM 1202 O SER B 3 4.343 -7.481 -14.823 1.00 0.00 O ATOM 1203 CB SER B 3 5.479 -7.750 -17.844 1.00 0.00 C ATOM 1204 OG SER B 3 6.527 -7.158 -17.083 1.00 0.00 O ATOM 0 HA SER B 3 5.063 -9.291 -16.434 1.00 0.00 H new ATOM 0 HB2 SER B 3 5.906 -8.424 -18.587 1.00 0.00 H new ATOM 0 HB3 SER B 3 4.943 -6.973 -18.389 1.00 0.00 H new ATOM 0 HG SER B 3 7.134 -6.675 -17.682 1.00 0.00 H new ATOM 1210 N ASN B 4 2.742 -6.923 -16.366 1.00 0.00 N ATOM 1211 CA ASN B 4 2.024 -6.001 -15.502 1.00 0.00 C ATOM 1212 C ASN B 4 1.700 -6.695 -14.178 1.00 0.00 C ATOM 1213 O ASN B 4 1.699 -6.017 -13.141 1.00 0.00 O ATOM 1214 CB ASN B 4 0.705 -5.561 -16.141 1.00 0.00 C ATOM 1215 CG ASN B 4 0.921 -4.382 -17.091 1.00 0.00 C ATOM 1216 OD1 ASN B 4 1.938 -4.264 -17.754 1.00 0.00 O ATOM 1217 ND2 ASN B 4 -0.090 -3.519 -17.120 1.00 0.00 N ATOM 0 H ASN B 4 2.343 -7.019 -17.300 1.00 0.00 H new ATOM 0 HA ASN B 4 2.656 -5.128 -15.342 1.00 0.00 H new ATOM 0 HB2 ASN B 4 0.265 -6.396 -16.686 1.00 0.00 H new ATOM 0 HB3 ASN B 4 -0.004 -5.280 -15.362 1.00 0.00 H new ATOM 0 HD21 ASN B 4 -0.043 -2.698 -17.723 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.913 -3.678 -16.539 1.00 0.00 H new ATOM 1224 N THR B 5 1.436 -8.013 -14.239 1.00 0.00 N ATOM 1225 CA THR B 5 1.114 -8.788 -13.053 1.00 0.00 C ATOM 1226 C THR B 5 2.339 -8.844 -12.137 1.00 0.00 C ATOM 1227 O THR B 5 2.166 -8.748 -10.914 1.00 0.00 O ATOM 1228 CB THR B 5 0.621 -10.169 -13.491 1.00 0.00 C ATOM 1229 OG1 THR B 5 -0.597 -9.899 -14.180 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.194 -11.041 -12.308 1.00 0.00 C ATOM 0 H THR B 5 1.442 -8.553 -15.104 1.00 0.00 H new ATOM 0 HA THR B 5 0.314 -8.324 -12.477 1.00 0.00 H new ATOM 0 HB THR B 5 1.408 -10.675 -14.050 1.00 0.00 H new ATOM 0 HG1 THR B 5 -0.985 -10.740 -14.500 1.00 0.00 H new ATOM 0 HG21 THR B 5 -0.147 -12.009 -12.674 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.041 -11.185 -11.637 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.617 -10.551 -11.769 1.00 0.00 H new ATOM 1238 N VAL B 6 3.533 -8.996 -12.738 1.00 0.00 N ATOM 1239 CA VAL B 6 4.773 -9.063 -11.982 1.00 0.00 C ATOM 1240 C VAL B 6 5.018 -7.719 -11.293 1.00 0.00 C ATOM 1241 O VAL B 6 5.371 -7.722 -10.104 1.00 0.00 O ATOM 1242 CB VAL B 6 5.922 -9.483 -12.898 1.00 0.00 C ATOM 1243 CG1 VAL B 6 7.234 -9.592 -12.118 1.00 0.00 C ATOM 1244 CG2 VAL B 6 5.601 -10.797 -13.614 1.00 0.00 C ATOM 0 H VAL B 6 3.654 -9.074 -13.748 1.00 0.00 H new ATOM 0 HA VAL B 6 4.704 -9.821 -11.202 1.00 0.00 H new ATOM 0 HB VAL B 6 6.045 -8.709 -13.656 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.035 -9.892 -12.793 1.00 0.00 H new ATOM 0 HG12 VAL B 6 7.476 -8.626 -11.676 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.127 -10.336 -11.329 1.00 0.00 H new ATOM 0 HG21 VAL B 6 6.435 -11.073 -14.259 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.437 -11.583 -12.876 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.702 -10.672 -14.217 1.00 0.00 H new ATOM 1254 N SER B 7 4.830 -6.617 -12.040 1.00 0.00 N ATOM 1255 CA SER B 7 5.029 -5.280 -11.504 1.00 0.00 C ATOM 1256 C SER B 7 4.040 -5.040 -10.363 1.00 0.00 C ATOM 1257 O SER B 7 4.483 -4.661 -9.268 1.00 0.00 O ATOM 1258 CB SER B 7 4.861 -4.212 -12.587 1.00 0.00 C ATOM 1259 OG SER B 7 3.707 -4.444 -13.390 1.00 0.00 O ATOM 0 H SER B 7 4.540 -6.637 -13.018 1.00 0.00 H new ATOM 0 HA SER B 7 6.049 -5.206 -11.127 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.786 -3.230 -12.120 1.00 0.00 H new ATOM 0 HB3 SER B 7 5.747 -4.196 -13.221 1.00 0.00 H new ATOM 0 HG SER B 7 3.199 -5.197 -13.022 1.00 0.00 H new ATOM 1265 N SER B 8 2.742 -5.261 -10.635 1.00 0.00 N ATOM 1266 CA SER B 8 1.702 -5.070 -9.637 1.00 0.00 C ATOM 1267 C SER B 8 2.056 -5.866 -8.380 1.00 0.00 C ATOM 1268 O SER B 8 1.754 -5.390 -7.275 1.00 0.00 O ATOM 1269 CB SER B 8 0.332 -5.496 -10.167 1.00 0.00 C ATOM 1270 OG SER B 8 0.047 -4.914 -11.437 1.00 0.00 O ATOM 0 H SER B 8 2.398 -5.573 -11.543 1.00 0.00 H new ATOM 0 HA SER B 8 1.644 -4.009 -9.396 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.297 -6.582 -10.250 1.00 0.00 H new ATOM 0 HB3 SER B 8 -0.439 -5.206 -9.454 1.00 0.00 H new ATOM 0 HG SER B 8 0.502 -5.424 -12.140 1.00 0.00 H new ATOM 1276 N PHE B 9 2.677 -7.044 -8.568 1.00 0.00 N ATOM 1277 CA PHE B 9 3.066 -7.896 -7.456 1.00 0.00 C ATOM 1278 C PHE B 9 4.170 -7.206 -6.653 1.00 0.00 C ATOM 1279 O PHE B 9 4.029 -7.101 -5.426 1.00 0.00 O ATOM 1280 CB PHE B 9 3.552 -9.253 -8.003 1.00 0.00 C ATOM 1281 CG PHE B 9 3.664 -10.354 -6.958 1.00 0.00 C ATOM 1282 CD1 PHE B 9 2.641 -10.534 -5.997 1.00 0.00 C ATOM 1283 CD2 PHE B 9 4.795 -11.202 -6.939 1.00 0.00 C ATOM 1284 CE1 PHE B 9 2.749 -11.554 -5.027 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.902 -12.221 -5.969 1.00 0.00 C ATOM 1286 CZ PHE B 9 3.879 -12.398 -5.014 1.00 0.00 C ATOM 0 H PHE B 9 2.916 -7.419 -9.486 1.00 0.00 H new ATOM 0 HA PHE B 9 2.215 -8.070 -6.798 1.00 0.00 H new ATOM 0 HB2 PHE B 9 2.867 -9.581 -8.785 1.00 0.00 H new ATOM 0 HB3 PHE B 9 4.527 -9.113 -8.471 1.00 0.00 H new ATOM 0 HD1 PHE B 9 1.775 -9.889 -6.006 1.00 0.00 H new ATOM 0 HD2 PHE B 9 5.580 -11.069 -7.669 1.00 0.00 H new ATOM 0 HE1 PHE B 9 1.966 -11.688 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE B 9 5.768 -12.866 -5.958 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.961 -13.180 -4.273 1.00 0.00 H new ATOM 1296 N GLN B 10 5.230 -6.757 -7.349 1.00 0.00 N ATOM 1297 CA GLN B 10 6.345 -6.085 -6.705 1.00 0.00 C ATOM 1298 C GLN B 10 5.816 -4.921 -5.863 1.00 0.00 C ATOM 1299 O GLN B 10 6.337 -4.709 -4.759 1.00 0.00 O ATOM 1300 CB GLN B 10 7.375 -5.599 -7.727 1.00 0.00 C ATOM 1301 CG GLN B 10 8.602 -6.512 -7.745 1.00 0.00 C ATOM 1302 CD GLN B 10 9.124 -6.699 -9.171 1.00 0.00 C ATOM 1303 OE1 GLN B 10 9.428 -5.752 -9.878 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.212 -7.970 -9.554 1.00 0.00 N ATOM 0 H GLN B 10 5.327 -6.854 -8.360 1.00 0.00 H new ATOM 0 HA GLN B 10 6.854 -6.797 -6.056 1.00 0.00 H new ATOM 0 HB2 GLN B 10 6.923 -5.571 -8.719 1.00 0.00 H new ATOM 0 HB3 GLN B 10 7.679 -4.580 -7.486 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.386 -6.086 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.345 -7.481 -7.318 1.00 0.00 H new ATOM 0 HE21 GLN B 10 8.941 -8.716 -8.913 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.550 -8.199 -10.489 1.00 0.00 H new ATOM 1313 N VAL B 11 4.811 -4.203 -6.393 1.00 0.00 N ATOM 1314 CA VAL B 11 4.220 -3.074 -5.696 1.00 0.00 C ATOM 1315 C VAL B 11 3.553 -3.566 -4.410 1.00 0.00 C ATOM 1316 O VAL B 11 3.862 -3.022 -3.340 1.00 0.00 O ATOM 1317 CB VAL B 11 3.256 -2.331 -6.624 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.262 -1.489 -5.822 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.018 -1.468 -7.630 1.00 0.00 C ATOM 0 H VAL B 11 4.398 -4.394 -7.306 1.00 0.00 H new ATOM 0 HA VAL B 11 4.990 -2.357 -5.409 1.00 0.00 H new ATOM 0 HB VAL B 11 2.690 -3.076 -7.183 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.589 -0.972 -6.506 1.00 0.00 H new ATOM 0 HG12 VAL B 11 1.683 -2.138 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL B 11 2.805 -0.757 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.309 -0.951 -8.277 1.00 0.00 H new ATOM 0 HG22 VAL B 11 4.623 -0.735 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL B 11 4.666 -2.102 -8.235 1.00 0.00 H new ATOM 1329 N ASP B 12 2.665 -4.568 -4.539 1.00 0.00 N ATOM 1330 CA ASP B 12 1.962 -5.126 -3.395 1.00 0.00 C ATOM 1331 C ASP B 12 2.982 -5.588 -2.352 1.00 0.00 C ATOM 1332 O ASP B 12 2.693 -5.469 -1.153 1.00 0.00 O ATOM 1333 CB ASP B 12 1.120 -6.336 -3.803 1.00 0.00 C ATOM 1334 CG ASP B 12 -0.320 -6.016 -4.206 1.00 0.00 C ATOM 1335 OD1 ASP B 12 -0.758 -4.856 -4.146 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -1.015 -7.029 -4.599 1.00 0.00 O ATOM 0 H ASP B 12 2.424 -5.001 -5.431 1.00 0.00 H new ATOM 0 HA ASP B 12 1.309 -4.353 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.612 -6.837 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP B 12 1.101 -7.042 -2.973 1.00 0.00 H new ATOM 1341 N CYS B 13 4.134 -6.098 -2.822 1.00 0.00 N ATOM 1342 CA CYS B 13 5.183 -6.573 -1.936 1.00 0.00 C ATOM 1343 C CYS B 13 5.707 -5.403 -1.100 1.00 0.00 C ATOM 1344 O CYS B 13 5.646 -5.487 0.135 1.00 0.00 O ATOM 1345 CB CYS B 13 6.302 -7.258 -2.723 1.00 0.00 C ATOM 1346 SG CYS B 13 5.949 -8.972 -3.214 1.00 0.00 S ATOM 0 H CYS B 13 4.352 -6.187 -3.815 1.00 0.00 H new ATOM 0 HA CYS B 13 4.772 -7.324 -1.261 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.507 -6.673 -3.619 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.210 -7.247 -2.120 1.00 0.00 H new ATOM 0 HG CYS B 13 6.961 -9.451 -3.875 1.00 0.00 H new ATOM 1352 N PHE B 14 6.204 -4.353 -1.778 1.00 0.00 N ATOM 1353 CA PHE B 14 6.732 -3.180 -1.103 1.00 0.00 C ATOM 1354 C PHE B 14 5.668 -2.620 -0.157 1.00 0.00 C ATOM 1355 O PHE B 14 6.017 -2.263 0.978 1.00 0.00 O ATOM 1356 CB PHE B 14 7.137 -2.129 -2.154 1.00 0.00 C ATOM 1357 CG PHE B 14 7.727 -0.849 -1.577 1.00 0.00 C ATOM 1358 CD1 PHE B 14 9.060 -0.832 -1.105 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.949 0.331 -1.515 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.609 0.354 -0.574 1.00 0.00 C ATOM 1361 CE2 PHE B 14 7.500 1.518 -0.985 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.830 1.529 -0.513 1.00 0.00 C ATOM 0 H PHE B 14 6.246 -4.304 -2.796 1.00 0.00 H new ATOM 0 HA PHE B 14 7.613 -3.446 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.864 -2.575 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.260 -1.873 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.659 -1.729 -1.151 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.931 0.324 -1.874 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.627 0.363 -0.214 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.904 2.417 -0.941 1.00 0.00 H new ATOM 0 HZ PHE B 14 9.251 2.436 -0.105 1.00 0.00 H new ATOM 1372 N LEU B 15 4.412 -2.555 -0.633 1.00 0.00 N ATOM 1373 CA LEU B 15 3.311 -2.043 0.165 1.00 0.00 C ATOM 1374 C LEU B 15 3.190 -2.869 1.448 1.00 0.00 C ATOM 1375 O LEU B 15 3.170 -2.270 2.534 1.00 0.00 O ATOM 1376 CB LEU B 15 2.024 -2.000 -0.663 1.00 0.00 C ATOM 1377 CG LEU B 15 1.978 -0.950 -1.774 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.537 -0.523 -2.063 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.874 0.243 -1.442 1.00 0.00 C ATOM 0 H LEU B 15 4.145 -2.854 -1.571 1.00 0.00 H new ATOM 0 HA LEU B 15 3.504 -1.013 0.465 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.871 -2.982 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.187 -1.823 0.012 1.00 0.00 H new ATOM 0 HG LEU B 15 2.371 -1.400 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.531 0.224 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.044 -1.390 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.096 -0.098 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.821 0.973 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.537 0.704 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.903 -0.096 -1.326 1.00 0.00 H new ATOM 1391 N TRP B 16 3.113 -4.203 1.300 1.00 0.00 N ATOM 1392 CA TRP B 16 2.995 -5.097 2.438 1.00 0.00 C ATOM 1393 C TRP B 16 4.088 -4.768 3.456 1.00 0.00 C ATOM 1394 O TRP B 16 3.800 -4.794 4.662 1.00 0.00 O ATOM 1395 CB TRP B 16 3.030 -6.555 1.974 1.00 0.00 C ATOM 1396 CG TRP B 16 2.812 -7.572 3.096 1.00 0.00 C ATOM 1397 CD1 TRP B 16 1.680 -8.208 3.424 1.00 0.00 C ATOM 1398 CD2 TRP B 16 3.804 -8.047 4.030 1.00 0.00 C ATOM 1399 NE1 TRP B 16 1.868 -9.055 4.497 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.201 -8.954 4.877 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.166 -7.721 4.156 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 3.884 -9.610 5.910 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 5.834 -8.385 5.192 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.241 -9.300 6.053 1.00 0.00 C ATOM 0 H TRP B 16 3.131 -4.675 0.396 1.00 0.00 H new ATOM 0 HA TRP B 16 2.034 -4.954 2.932 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.265 -6.701 1.212 1.00 0.00 H new ATOM 0 HB3 TRP B 16 3.992 -6.752 1.501 1.00 0.00 H new ATOM 0 HD1 TRP B 16 0.738 -8.075 2.913 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.159 -9.646 4.931 1.00 0.00 H new ATOM 0 HE3 TRP B 16 5.658 -7.014 3.505 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 3.390 -10.316 6.560 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 6.883 -8.171 5.332 1.00 0.00 H new ATOM 0 HH2 TRP B 16 5.825 -9.770 6.830 1.00 0.00 H new ATOM 1415 N HIS B 17 5.302 -4.469 2.960 1.00 0.00 N ATOM 1416 CA HIS B 17 6.425 -4.138 3.821 1.00 0.00 C ATOM 1417 C HIS B 17 6.088 -2.886 4.633 1.00 0.00 C ATOM 1418 O HIS B 17 6.045 -2.978 5.868 1.00 0.00 O ATOM 1419 CB HIS B 17 7.713 -3.989 3.007 1.00 0.00 C ATOM 1420 CG HIS B 17 8.961 -3.873 3.849 1.00 0.00 C ATOM 1421 ND1 HIS B 17 10.117 -3.262 3.395 1.00 0.00 N ATOM 1422 CD2 HIS B 17 9.221 -4.293 5.120 1.00 0.00 C ATOM 1423 CE1 HIS B 17 11.026 -3.319 4.357 1.00 0.00 C ATOM 1424 NE2 HIS B 17 10.469 -3.959 5.425 1.00 0.00 N ATOM 0 H HIS B 17 5.519 -4.453 1.964 1.00 0.00 H new ATOM 0 HA HIS B 17 6.605 -4.952 4.523 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.813 -4.848 2.344 1.00 0.00 H new ATOM 0 HB3 HIS B 17 7.631 -3.105 2.374 1.00 0.00 H new ATOM 0 HD2 HIS B 17 8.529 -4.810 5.768 1.00 0.00 H new ATOM 0 HE1 HIS B 17 12.031 -2.928 4.305 1.00 0.00 H new ATOM 0 HE2 HIS B 17 10.935 -4.150 6.312 1.00 0.00 H new ATOM 1432 N VAL B 18 5.861 -1.759 3.935 1.00 0.00 N ATOM 1433 CA VAL B 18 5.532 -0.503 4.587 1.00 0.00 C ATOM 1434 C VAL B 18 4.413 -0.738 5.603 1.00 0.00 C ATOM 1435 O VAL B 18 4.491 -0.178 6.706 1.00 0.00 O ATOM 1436 CB VAL B 18 5.175 0.554 3.538 1.00 0.00 C ATOM 1437 CG1 VAL B 18 4.702 1.848 4.203 1.00 0.00 C ATOM 1438 CG2 VAL B 18 6.356 0.817 2.602 1.00 0.00 C ATOM 0 H VAL B 18 5.902 -1.704 2.917 1.00 0.00 H new ATOM 0 HA VAL B 18 6.393 -0.120 5.135 1.00 0.00 H new ATOM 0 HB VAL B 18 4.352 0.167 2.937 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.455 2.582 3.436 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.819 1.644 4.808 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.495 2.241 4.839 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.076 1.571 1.867 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.207 1.173 3.182 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.627 -0.106 2.090 1.00 0.00 H new ATOM 1448 N ARG B 19 3.411 -1.549 5.218 1.00 0.00 N ATOM 1449 CA ARG B 19 2.288 -1.853 6.089 1.00 0.00 C ATOM 1450 C ARG B 19 2.808 -2.502 7.375 1.00 0.00 C ATOM 1451 O ARG B 19 2.485 -1.999 8.460 1.00 0.00 O ATOM 1452 CB ARG B 19 1.292 -2.798 5.416 1.00 0.00 C ATOM 1453 CG ARG B 19 0.497 -2.073 4.328 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.538 -3.004 3.692 1.00 0.00 C ATOM 1455 NE ARG B 19 -0.325 -3.072 2.230 1.00 0.00 N ATOM 1456 CZ ARG B 19 -1.312 -3.272 1.330 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -2.569 -3.423 1.767 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -1.038 -3.322 0.019 1.00 0.00 N ATOM 0 H ARG B 19 3.367 -2.001 4.305 1.00 0.00 H new ATOM 0 HA ARG B 19 1.771 -0.920 6.313 1.00 0.00 H new ATOM 0 HB2 ARG B 19 1.825 -3.643 4.980 1.00 0.00 H new ATOM 0 HB3 ARG B 19 0.608 -3.203 6.162 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.004 -1.205 4.756 1.00 0.00 H new ATOM 0 HG3 ARG B 19 1.177 -1.702 3.561 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.459 -4.001 4.126 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.544 -2.643 3.905 1.00 0.00 H new ATOM 0 HE ARG B 19 0.626 -2.961 1.880 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -2.769 -3.386 2.766 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -3.326 -3.575 1.100 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -0.078 -3.209 -0.306 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -1.790 -3.473 -0.654 1.00 0.00 H new ATOM 1472 N LYS B 20 3.588 -3.587 7.228 1.00 0.00 N ATOM 1473 CA LYS B 20 4.144 -4.296 8.369 1.00 0.00 C ATOM 1474 C LYS B 20 4.851 -3.298 9.287 1.00 0.00 C ATOM 1475 O LYS B 20 4.848 -3.514 10.508 1.00 0.00 O ATOM 1476 CB LYS B 20 5.041 -5.444 7.901 1.00 0.00 C ATOM 1477 CG LYS B 20 5.599 -6.224 9.093 1.00 0.00 C ATOM 1478 CD LYS B 20 4.623 -7.314 9.540 1.00 0.00 C ATOM 1479 CE LYS B 20 4.717 -7.547 11.049 1.00 0.00 C ATOM 1480 NZ LYS B 20 5.668 -8.631 11.345 1.00 0.00 N ATOM 0 H LYS B 20 3.842 -3.984 6.324 1.00 0.00 H new ATOM 0 HA LYS B 20 3.350 -4.761 8.953 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.473 -6.115 7.257 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.863 -5.048 7.304 1.00 0.00 H new ATOM 0 HG2 LYS B 20 6.554 -6.675 8.822 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.792 -5.542 9.921 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.605 -7.027 9.275 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.841 -8.242 9.011 1.00 0.00 H new ATOM 0 HE2 LYS B 20 5.035 -6.630 11.545 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.734 -7.799 11.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.720 -8.776 12.374 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 5.348 -9.508 10.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.609 -8.375 10.984 1.00 0.00 H new ATOM 1494 N GLN B 21 5.434 -2.241 8.694 1.00 0.00 N ATOM 1495 CA GLN B 21 6.138 -1.221 9.454 1.00 0.00 C ATOM 1496 C GLN B 21 5.125 -0.384 10.235 1.00 0.00 C ATOM 1497 O GLN B 21 5.427 -0.007 11.378 1.00 0.00 O ATOM 1498 CB GLN B 21 6.997 -0.338 8.547 1.00 0.00 C ATOM 1499 CG GLN B 21 8.452 -0.810 8.540 1.00 0.00 C ATOM 1500 CD GLN B 21 9.012 -0.837 7.116 1.00 0.00 C ATOM 1501 OE1 GLN B 21 10.061 -0.286 6.823 1.00 0.00 O ATOM 1502 NE2 GLN B 21 8.257 -1.507 6.250 1.00 0.00 N ATOM 0 H GLN B 21 5.425 -2.081 7.687 1.00 0.00 H new ATOM 0 HA GLN B 21 6.815 -1.711 10.154 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.600 -0.358 7.532 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.948 0.696 8.888 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.056 -0.147 9.160 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.517 -1.805 8.979 1.00 0.00 H new ATOM 0 HE21 GLN B 21 7.390 -1.945 6.561 1.00 0.00 H new ATOM 0 HE22 GLN B 21 8.545 -1.583 5.274 1.00 0.00 H new ATOM 1511 N VAL B 22 3.961 -0.114 9.617 1.00 0.00 N ATOM 1512 CA VAL B 22 2.915 0.671 10.251 1.00 0.00 C ATOM 1513 C VAL B 22 2.376 -0.091 11.463 1.00 0.00 C ATOM 1514 O VAL B 22 2.068 0.556 12.475 1.00 0.00 O ATOM 1515 CB VAL B 22 1.829 1.017 9.230 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.611 1.639 9.915 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.376 1.941 8.139 1.00 0.00 C ATOM 0 H VAL B 22 3.732 -0.434 8.676 1.00 0.00 H new ATOM 0 HA VAL B 22 3.314 1.618 10.614 1.00 0.00 H new ATOM 0 HB VAL B 22 1.509 0.090 8.754 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.146 1.875 9.167 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.200 0.933 10.637 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.910 2.552 10.430 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.584 2.171 7.426 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.737 2.865 8.592 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.197 1.446 7.621 1.00 0.00 H new ATOM 1527 N VAL B 23 2.274 -1.426 11.338 1.00 0.00 N ATOM 1528 CA VAL B 23 1.776 -2.264 12.416 1.00 0.00 C ATOM 1529 C VAL B 23 2.834 -2.351 13.519 1.00 0.00 C ATOM 1530 O VAL B 23 2.460 -2.309 14.700 1.00 0.00 O ATOM 1531 CB VAL B 23 1.370 -3.633 11.869 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.975 -4.582 13.003 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.239 -3.501 10.847 1.00 0.00 C ATOM 0 H VAL B 23 2.533 -1.938 10.495 1.00 0.00 H new ATOM 0 HA VAL B 23 0.881 -1.826 12.858 1.00 0.00 H new ATOM 0 HB VAL B 23 2.234 -4.060 11.360 1.00 0.00 H new ATOM 0 HG11 VAL B 23 0.691 -5.548 12.586 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.820 -4.713 13.679 1.00 0.00 H new ATOM 0 HG13 VAL B 23 0.133 -4.162 13.552 1.00 0.00 H new ATOM 0 HG21 VAL B 23 -0.031 -4.489 10.473 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.629 -3.043 11.322 1.00 0.00 H new ATOM 0 HG23 VAL B 23 0.570 -2.877 10.017 1.00 0.00 H new ATOM 1543 N ASP B 24 4.112 -2.468 13.118 1.00 0.00 N ATOM 1544 CA ASP B 24 5.211 -2.559 14.066 1.00 0.00 C ATOM 1545 C ASP B 24 5.317 -1.247 14.844 1.00 0.00 C ATOM 1546 O ASP B 24 5.945 -1.245 15.914 1.00 0.00 O ATOM 1547 CB ASP B 24 6.541 -2.792 13.346 1.00 0.00 C ATOM 1548 CG ASP B 24 6.876 -4.258 13.065 1.00 0.00 C ATOM 1549 OD1 ASP B 24 7.444 -4.885 14.039 1.00 0.00 O ATOM 1550 OD2 ASP B 24 6.608 -4.776 11.970 1.00 0.00 O ATOM 0 H ASP B 24 4.399 -2.501 12.140 1.00 0.00 H new ATOM 0 HA ASP B 24 5.012 -3.396 14.735 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.524 -2.251 12.400 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.342 -2.360 13.946 1.00 0.00 H new ATOM 1555 N GLN B 25 4.714 -0.174 14.302 1.00 0.00 N ATOM 1556 CA GLN B 25 4.741 1.130 14.942 1.00 0.00 C ATOM 1557 C GLN B 25 3.624 1.206 15.985 1.00 0.00 C ATOM 1558 O GLN B 25 3.467 2.268 16.604 1.00 0.00 O ATOM 1559 CB GLN B 25 4.614 2.260 13.919 1.00 0.00 C ATOM 1560 CG GLN B 25 5.968 2.577 13.280 1.00 0.00 C ATOM 1561 CD GLN B 25 6.270 4.075 13.350 1.00 0.00 C ATOM 1562 OE1 GLN B 25 5.388 4.916 13.294 1.00 0.00 O ATOM 1563 NE2 GLN B 25 7.563 4.361 13.476 1.00 0.00 N ATOM 0 H GLN B 25 4.204 -0.197 13.419 1.00 0.00 H new ATOM 0 HA GLN B 25 5.704 1.256 15.437 1.00 0.00 H new ATOM 0 HB2 GLN B 25 3.900 1.976 13.145 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.219 3.152 14.405 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.754 2.020 13.790 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.969 2.250 12.240 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.250 3.608 13.517 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.867 5.333 13.532 1.00 0.00 H new ATOM 1572 N GLU B 26 2.883 0.096 16.155 1.00 0.00 N ATOM 1573 CA GLU B 26 1.792 0.038 17.114 1.00 0.00 C ATOM 1574 C GLU B 26 0.710 1.041 16.709 1.00 0.00 C ATOM 1575 O GLU B 26 0.295 1.837 17.564 1.00 0.00 O ATOM 1576 CB GLU B 26 2.282 0.304 18.538 1.00 0.00 C ATOM 1577 CG GLU B 26 3.485 -0.579 18.879 1.00 0.00 C ATOM 1578 CD GLU B 26 3.472 -0.976 20.356 1.00 0.00 C ATOM 1579 OE1 GLU B 26 3.102 -0.044 21.168 1.00 0.00 O ATOM 1580 OE2 GLU B 26 3.802 -2.123 20.693 1.00 0.00 O ATOM 0 H GLU B 26 3.029 -0.769 15.634 1.00 0.00 H new ATOM 0 HA GLU B 26 1.371 -0.968 17.106 1.00 0.00 H new ATOM 0 HB2 GLU B 26 2.556 1.354 18.642 1.00 0.00 H new ATOM 0 HB3 GLU B 26 1.475 0.114 19.245 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.471 -1.475 18.258 1.00 0.00 H new ATOM 0 HG3 GLU B 26 4.408 -0.047 18.650 1.00 0.00 H new ATOM 1587 N LEU B 27 0.281 0.984 15.435 1.00 0.00 N ATOM 1588 CA LEU B 27 -0.743 1.880 14.927 1.00 0.00 C ATOM 1589 C LEU B 27 -1.790 1.069 14.162 1.00 0.00 C ATOM 1590 O LEU B 27 -2.446 1.638 13.277 1.00 0.00 O ATOM 1591 CB LEU B 27 -0.110 3.002 14.100 1.00 0.00 C ATOM 1592 CG LEU B 27 0.911 3.878 14.829 1.00 0.00 C ATOM 1593 CD1 LEU B 27 1.982 4.390 13.864 1.00 0.00 C ATOM 1594 CD2 LEU B 27 0.219 5.020 15.575 1.00 0.00 C ATOM 0 H LEU B 27 0.636 0.321 14.746 1.00 0.00 H new ATOM 0 HA LEU B 27 -1.260 2.374 15.750 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.377 2.557 13.232 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -0.907 3.644 13.724 1.00 0.00 H new ATOM 0 HG LEU B 27 1.416 3.265 15.575 1.00 0.00 H new ATOM 0 HD11 LEU B 27 2.695 5.010 14.407 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.504 3.544 13.417 1.00 0.00 H new ATOM 0 HD13 LEU B 27 1.511 4.982 13.079 1.00 0.00 H new ATOM 0 HD21 LEU B 27 0.967 5.628 16.085 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -0.329 5.639 14.865 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -0.475 4.608 16.308 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.925 -0.222 14.512 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.885 -1.100 13.863 1.00 0.00 C ATOM 1608 C GLY B 28 -4.232 -0.994 14.581 1.00 0.00 C ATOM 1609 O GLY B 28 -4.246 -1.045 15.819 1.00 0.00 O ATOM 0 H GLY B 28 -1.375 -0.671 15.244 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.996 -0.825 12.814 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.527 -2.129 13.886 1.00 0.00 H new ATOM 1613 N ASP B 29 -5.319 -0.852 13.802 1.00 0.00 N ATOM 1614 CA ASP B 29 -6.657 -0.741 14.359 1.00 0.00 C ATOM 1615 C ASP B 29 -7.239 -2.141 14.559 1.00 0.00 C ATOM 1616 O ASP B 29 -7.511 -2.509 15.712 1.00 0.00 O ATOM 1617 CB ASP B 29 -7.584 0.028 13.416 1.00 0.00 C ATOM 1618 CG ASP B 29 -7.070 0.177 11.982 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -6.386 -0.713 11.453 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -7.400 1.278 11.396 1.00 0.00 O ATOM 0 H ASP B 29 -5.285 -0.813 12.783 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.585 -0.207 15.307 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -8.550 -0.477 13.389 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.755 1.022 13.830 1.00 0.00 H new ATOM 1625 N ALA B 30 -7.418 -2.883 13.451 1.00 0.00 N ATOM 1626 CA ALA B 30 -7.963 -4.229 13.505 1.00 0.00 C ATOM 1627 C ALA B 30 -8.175 -4.745 12.080 1.00 0.00 C ATOM 1628 O ALA B 30 -7.823 -5.904 11.815 1.00 0.00 O ATOM 1629 CB ALA B 30 -9.344 -4.198 14.161 1.00 0.00 C ATOM 0 H ALA B 30 -7.189 -2.562 12.510 1.00 0.00 H new ATOM 0 HA ALA B 30 -7.272 -4.860 14.064 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -9.751 -5.208 14.200 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -9.257 -3.802 15.173 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -10.010 -3.561 13.578 1.00 0.00 H new ATOM 1635 N PRO B 31 -8.739 -3.890 11.207 1.00 0.00 N ATOM 1636 CA PRO B 31 -9.009 -4.223 9.820 1.00 0.00 C ATOM 1637 C PRO B 31 -7.719 -4.225 8.995 1.00 0.00 C ATOM 1638 O PRO B 31 -7.544 -5.140 8.177 1.00 0.00 O ATOM 1639 CB PRO B 31 -10.011 -3.181 9.352 1.00 0.00 C ATOM 1640 CG PRO B 31 -9.913 -2.034 10.346 1.00 0.00 C ATOM 1641 CD PRO B 31 -9.143 -2.531 11.557 1.00 0.00 C ATOM 0 HA PRO B 31 -9.415 -5.228 9.701 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -9.780 -2.843 8.342 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -11.020 -3.592 9.328 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -9.406 -1.181 9.895 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -10.907 -1.696 10.638 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -8.277 -1.901 11.762 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -9.764 -2.521 12.453 1.00 0.00 H new ATOM 1649 N PHE B 32 -6.858 -3.217 9.223 1.00 0.00 N ATOM 1650 CA PHE B 32 -5.600 -3.103 8.506 1.00 0.00 C ATOM 1651 C PHE B 32 -4.737 -4.332 8.801 1.00 0.00 C ATOM 1652 O PHE B 32 -4.139 -4.873 7.860 1.00 0.00 O ATOM 1653 CB PHE B 32 -4.881 -1.813 8.944 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.410 -1.742 8.557 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -3.001 -2.063 7.241 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.442 -1.361 9.515 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -1.636 -2.000 6.887 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -1.078 -1.299 9.160 1.00 0.00 C ATOM 1659 CZ PHE B 32 -0.675 -1.618 7.846 1.00 0.00 C ATOM 0 H PHE B 32 -7.022 -2.474 9.902 1.00 0.00 H new ATOM 0 HA PHE B 32 -5.782 -3.054 7.432 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.399 -0.959 8.508 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -4.963 -1.717 10.027 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.735 -2.357 6.505 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -2.748 -1.117 10.522 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.327 -2.244 5.881 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -0.342 -1.007 9.894 1.00 0.00 H new ATOM 0 HZ PHE B 32 0.369 -1.570 7.575 1.00 0.00 H new ATOM 1669 N LEU B 33 -4.691 -4.742 10.081 1.00 0.00 N ATOM 1670 CA LEU B 33 -3.909 -5.896 10.493 1.00 0.00 C ATOM 1671 C LEU B 33 -4.489 -7.156 9.848 1.00 0.00 C ATOM 1672 O LEU B 33 -3.719 -7.919 9.248 1.00 0.00 O ATOM 1673 CB LEU B 33 -3.825 -5.968 12.019 1.00 0.00 C ATOM 1674 CG LEU B 33 -2.813 -6.965 12.588 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -1.537 -6.993 11.743 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -2.519 -6.667 14.060 1.00 0.00 C ATOM 0 H LEU B 33 -5.192 -4.282 10.842 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.880 -5.804 10.144 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.580 -4.976 12.397 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.812 -6.221 12.406 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.252 -7.962 12.542 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.834 -7.709 12.169 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.783 -7.288 10.723 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -1.084 -6.002 11.735 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.797 -7.390 14.440 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -2.109 -5.661 14.153 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -3.441 -6.737 14.637 1.00 0.00 H new ATOM 1688 N ASP B 34 -5.815 -7.346 9.982 1.00 0.00 N ATOM 1689 CA ASP B 34 -6.488 -8.503 9.417 1.00 0.00 C ATOM 1690 C ASP B 34 -6.187 -8.580 7.919 1.00 0.00 C ATOM 1691 O ASP B 34 -5.904 -9.684 7.430 1.00 0.00 O ATOM 1692 CB ASP B 34 -8.004 -8.396 9.591 1.00 0.00 C ATOM 1693 CG ASP B 34 -8.799 -9.600 9.080 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -8.092 -10.643 8.805 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -10.031 -9.543 8.952 1.00 0.00 O ATOM 0 H ASP B 34 -6.432 -6.704 10.480 1.00 0.00 H new ATOM 0 HA ASP B 34 -6.128 -9.391 9.936 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -8.224 -8.256 10.649 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -8.352 -7.503 9.072 1.00 0.00 H new ATOM 1700 N ARG B 35 -6.255 -7.426 7.231 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.992 -7.364 5.803 1.00 0.00 C ATOM 1702 C ARG B 35 -4.536 -7.752 5.540 1.00 0.00 C ATOM 1703 O ARG B 35 -4.283 -8.455 4.551 1.00 0.00 O ATOM 1704 CB ARG B 35 -6.249 -5.964 5.243 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.746 -5.649 5.219 1.00 0.00 C ATOM 1706 CD ARG B 35 -7.990 -4.140 5.287 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.828 -3.414 4.730 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.864 -2.686 3.592 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -8.013 -2.604 2.910 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.765 -2.057 3.153 1.00 0.00 N ATOM 0 H ARG B 35 -6.491 -6.528 7.653 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.668 -8.058 5.304 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -5.728 -5.224 5.851 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.842 -5.892 4.234 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -8.192 -6.052 4.310 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.238 -6.139 6.059 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.891 -3.883 4.729 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.158 -3.837 6.320 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.944 -3.466 5.236 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.844 -3.087 3.251 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -8.057 -2.059 2.049 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.894 -2.126 3.679 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.800 -1.509 2.293 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.623 -7.294 6.414 1.00 0.00 N ATOM 1725 CA LEU B 36 -2.207 -7.591 6.276 1.00 0.00 C ATOM 1726 C LEU B 36 -1.999 -9.106 6.348 1.00 0.00 C ATOM 1727 O LEU B 36 -1.207 -9.630 5.552 1.00 0.00 O ATOM 1728 CB LEU B 36 -1.392 -6.809 7.309 1.00 0.00 C ATOM 1729 CG LEU B 36 0.122 -7.023 7.270 1.00 0.00 C ATOM 1730 CD1 LEU B 36 0.707 -6.553 5.935 1.00 0.00 C ATOM 1731 CD2 LEU B 36 0.802 -6.348 8.462 1.00 0.00 C ATOM 0 H LEU B 36 -3.853 -6.716 7.222 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.842 -7.264 5.302 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -1.592 -5.746 7.172 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.751 -7.075 8.303 1.00 0.00 H new ATOM 0 HG LEU B 36 0.318 -8.092 7.350 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.785 -6.716 5.933 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.253 -7.117 5.120 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.500 -5.491 5.801 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.878 -6.516 8.410 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.600 -5.277 8.438 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.414 -6.770 9.389 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.702 -9.766 7.285 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.596 -11.206 7.456 1.00 0.00 C ATOM 1745 C ARG B 37 -3.071 -11.903 6.180 1.00 0.00 C ATOM 1746 O ARG B 37 -2.296 -12.690 5.614 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.432 -11.696 8.638 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.760 -11.348 9.968 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.801 -11.022 11.040 1.00 0.00 C ATOM 1750 NE ARG B 37 -4.584 -12.235 11.371 1.00 0.00 N ATOM 1751 CZ ARG B 37 -5.837 -12.214 11.871 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -6.429 -11.032 12.089 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -6.480 -13.358 12.146 1.00 0.00 N ATOM 0 H ARG B 37 -3.348 -9.314 7.932 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.552 -11.446 7.656 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -4.423 -11.245 8.599 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -3.570 -12.775 8.568 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -2.143 -12.184 10.297 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -2.095 -10.496 9.831 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -3.307 -10.642 11.935 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -4.467 -10.235 10.685 1.00 0.00 H new ATOM 0 HE ARG B 37 -4.149 -13.143 11.211 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.933 -10.166 11.877 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -7.376 -10.998 12.467 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -6.022 -14.254 11.977 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -7.427 -13.333 12.524 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.313 -11.607 5.758 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.882 -12.201 4.560 1.00 0.00 C ATOM 1769 C ARG B 38 -3.991 -11.875 3.361 1.00 0.00 C ATOM 1770 O ARG B 38 -3.928 -12.694 2.432 1.00 0.00 O ATOM 1771 CB ARG B 38 -6.296 -11.683 4.292 1.00 0.00 C ATOM 1772 CG ARG B 38 -7.184 -11.847 5.526 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.586 -12.322 5.137 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.796 -13.712 5.602 1.00 0.00 N ATOM 1775 CZ ARG B 38 -10.009 -14.252 5.847 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -11.104 -13.500 5.665 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.117 -15.519 6.267 1.00 0.00 N ATOM 0 H ARG B 38 -4.935 -10.957 6.238 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.938 -13.279 4.712 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -6.254 -10.632 4.007 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.732 -12.224 3.452 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.731 -12.564 6.211 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -7.253 -10.898 6.057 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -9.337 -11.665 5.577 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.710 -12.269 4.055 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.974 -14.298 5.746 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -11.013 -12.535 5.346 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -12.028 -13.892 5.845 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.279 -16.084 6.404 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.037 -15.919 6.450 1.00 0.00 H new ATOM 1791 N ASP B 39 -3.330 -10.704 3.403 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.451 -10.277 2.327 1.00 0.00 C ATOM 1793 C ASP B 39 -1.190 -11.144 2.330 1.00 0.00 C ATOM 1794 O ASP B 39 -0.678 -11.445 1.241 1.00 0.00 O ATOM 1795 CB ASP B 39 -2.023 -8.820 2.511 1.00 0.00 C ATOM 1796 CG ASP B 39 -2.966 -7.787 1.891 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -4.180 -8.016 1.780 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -2.401 -6.692 1.509 1.00 0.00 O ATOM 0 H ASP B 39 -3.396 -10.043 4.177 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.995 -10.377 1.388 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -1.934 -8.615 3.578 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.031 -8.691 2.078 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.721 -11.521 3.532 1.00 0.00 N ATOM 1804 CA GLN B 40 0.468 -12.344 3.672 1.00 0.00 C ATOM 1805 C GLN B 40 0.214 -13.712 3.035 1.00 0.00 C ATOM 1806 O GLN B 40 1.059 -14.162 2.246 1.00 0.00 O ATOM 1807 CB GLN B 40 0.881 -12.491 5.138 1.00 0.00 C ATOM 1808 CG GLN B 40 2.122 -13.376 5.272 1.00 0.00 C ATOM 1809 CD GLN B 40 3.402 -12.544 5.171 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.594 -11.990 3.977 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.165 -12.414 6.115 1.00 0.00 N flip ATOM 0 H GLN B 40 -1.157 -11.262 4.417 1.00 0.00 H new ATOM 0 HA GLN B 40 1.294 -11.854 3.157 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.084 -11.508 5.563 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.059 -12.922 5.710 1.00 0.00 H new ATOM 0 HG2 GLN B 40 2.099 -13.899 6.228 1.00 0.00 H new ATOM 0 HG3 GLN B 40 2.116 -14.137 4.492 1.00 0.00 H new ATOM 0 HE21 GLN B 40 3.957 -12.867 7.005 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.010 -11.852 6.014 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.926 -14.336 3.382 1.00 0.00 N ATOM 1821 CA LYS B 41 -1.285 -15.638 2.846 1.00 0.00 C ATOM 1822 C LYS B 41 -1.325 -15.565 1.318 1.00 0.00 C ATOM 1823 O LYS B 41 -0.821 -16.492 0.670 1.00 0.00 O ATOM 1824 CB LYS B 41 -2.589 -16.134 3.472 1.00 0.00 C ATOM 1825 CG LYS B 41 -2.331 -16.797 4.826 1.00 0.00 C ATOM 1826 CD LYS B 41 -2.931 -18.204 4.871 1.00 0.00 C ATOM 1827 CE LYS B 41 -2.111 -19.177 4.020 1.00 0.00 C ATOM 1828 NZ LYS B 41 -1.947 -20.462 4.719 1.00 0.00 N ATOM 0 H LYS B 41 -1.608 -13.949 4.034 1.00 0.00 H new ATOM 0 HA LYS B 41 -0.530 -16.378 3.109 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -3.277 -15.298 3.598 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -3.071 -16.845 2.801 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -1.258 -16.849 5.011 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -2.762 -16.188 5.621 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -2.965 -18.556 5.902 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -3.959 -18.177 4.510 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -2.606 -19.338 3.062 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -1.133 -18.746 3.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -1.388 -21.110 4.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -1.455 -20.306 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -2.882 -20.879 4.902 1.00 0.00 H new ATOM 1842 N SER B 42 -1.913 -14.480 0.784 1.00 0.00 N ATOM 1843 CA SER B 42 -2.016 -14.290 -0.653 1.00 0.00 C ATOM 1844 C SER B 42 -0.621 -14.054 -1.234 1.00 0.00 C ATOM 1845 O SER B 42 -0.344 -14.561 -2.331 1.00 0.00 O ATOM 1846 CB SER B 42 -2.939 -13.120 -0.999 1.00 0.00 C ATOM 1847 OG SER B 42 -3.196 -13.038 -2.398 1.00 0.00 O ATOM 0 H SER B 42 -2.321 -13.726 1.337 1.00 0.00 H new ATOM 0 HA SER B 42 -2.449 -15.190 -1.090 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.882 -13.231 -0.463 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.487 -12.189 -0.658 1.00 0.00 H new ATOM 0 HG SER B 42 -3.790 -12.280 -2.578 1.00 0.00 H new ATOM 1853 N LEU B 43 0.218 -13.302 -0.499 1.00 0.00 N ATOM 1854 CA LEU B 43 1.571 -13.003 -0.937 1.00 0.00 C ATOM 1855 C LEU B 43 2.380 -14.300 -1.000 1.00 0.00 C ATOM 1856 O LEU B 43 3.205 -14.436 -1.915 1.00 0.00 O ATOM 1857 CB LEU B 43 2.199 -11.929 -0.046 1.00 0.00 C ATOM 1858 CG LEU B 43 2.323 -10.534 -0.662 1.00 0.00 C ATOM 1859 CD1 LEU B 43 1.044 -9.723 -0.443 1.00 0.00 C ATOM 1860 CD2 LEU B 43 3.560 -9.809 -0.130 1.00 0.00 C ATOM 0 H LEU B 43 -0.029 -12.894 0.403 1.00 0.00 H new ATOM 0 HA LEU B 43 1.561 -12.583 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.607 -11.850 0.866 1.00 0.00 H new ATOM 0 HB3 LEU B 43 3.194 -12.265 0.247 1.00 0.00 H new ATOM 0 HG LEU B 43 2.453 -10.645 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU B 43 1.158 -8.736 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU B 43 0.203 -10.237 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU B 43 0.858 -9.618 0.626 1.00 0.00 H new ATOM 0 HD21 LEU B 43 3.625 -8.820 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.485 -9.708 0.953 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.453 -10.382 -0.380 1.00 0.00 H new ATOM 1872 N ARG B 44 2.130 -15.212 -0.044 1.00 0.00 N ATOM 1873 CA ARG B 44 2.830 -16.484 0.008 1.00 0.00 C ATOM 1874 C ARG B 44 2.389 -17.352 -1.173 1.00 0.00 C ATOM 1875 O ARG B 44 3.239 -18.062 -1.732 1.00 0.00 O ATOM 1876 CB ARG B 44 2.549 -17.231 1.314 1.00 0.00 C ATOM 1877 CG ARG B 44 3.558 -16.842 2.396 1.00 0.00 C ATOM 1878 CD ARG B 44 2.848 -16.431 3.687 1.00 0.00 C ATOM 1879 NE ARG B 44 2.581 -17.625 4.520 1.00 0.00 N ATOM 1880 CZ ARG B 44 2.754 -17.669 5.858 1.00 0.00 C ATOM 1881 NH1 ARG B 44 3.192 -16.573 6.492 1.00 0.00 N ATOM 1882 NH2 ARG B 44 2.490 -18.791 6.541 1.00 0.00 N ATOM 0 H ARG B 44 1.444 -15.080 0.700 1.00 0.00 H new ATOM 0 HA ARG B 44 3.900 -16.282 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.539 -17.006 1.656 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.594 -18.306 1.139 1.00 0.00 H new ATOM 0 HG2 ARG B 44 4.225 -17.681 2.595 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.178 -16.019 2.041 1.00 0.00 H new ATOM 0 HD2 ARG B 44 3.463 -15.722 4.240 1.00 0.00 H new ATOM 0 HD3 ARG B 44 1.912 -15.925 3.452 1.00 0.00 H new ATOM 0 HE ARG B 44 2.245 -18.468 4.054 1.00 0.00 H new ATOM 0 HH11 ARG B 44 3.389 -15.723 5.964 1.00 0.00 H new ATOM 0 HH12 ARG B 44 3.328 -16.589 7.503 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.156 -19.620 6.050 1.00 0.00 H new ATOM 0 HH22 ARG B 44 2.623 -18.816 7.552 1.00 0.00 H new ATOM 1896 N GLY B 45 1.092 -17.281 -1.521 1.00 0.00 N ATOM 1897 CA GLY B 45 0.547 -18.056 -2.624 1.00 0.00 C ATOM 1898 C GLY B 45 1.205 -17.605 -3.931 1.00 0.00 C ATOM 1899 O GLY B 45 1.605 -18.475 -4.719 1.00 0.00 O ATOM 0 H GLY B 45 0.409 -16.690 -1.046 1.00 0.00 H new ATOM 0 HA2 GLY B 45 0.726 -19.119 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.533 -17.920 -2.681 1.00 0.00 H new ATOM 1903 N ARG B 46 1.302 -16.278 -4.130 1.00 0.00 N ATOM 1904 CA ARG B 46 1.904 -15.723 -5.330 1.00 0.00 C ATOM 1905 C ARG B 46 3.415 -15.965 -5.296 1.00 0.00 C ATOM 1906 O ARG B 46 3.987 -16.269 -6.353 1.00 0.00 O ATOM 1907 CB ARG B 46 1.638 -14.221 -5.450 1.00 0.00 C ATOM 1908 CG ARG B 46 0.180 -13.951 -5.827 1.00 0.00 C ATOM 1909 CD ARG B 46 0.012 -12.537 -6.388 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.103 -12.509 -7.361 1.00 0.00 N ATOM 1911 CZ ARG B 46 -1.154 -11.685 -8.430 1.00 0.00 C ATOM 1912 NH1 ARG B 46 -0.142 -10.834 -8.642 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -2.201 -11.721 -9.266 1.00 0.00 N ATOM 0 H ARG B 46 0.967 -15.579 -3.467 1.00 0.00 H new ATOM 0 HA ARG B 46 1.457 -16.218 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.870 -13.730 -4.505 1.00 0.00 H new ATOM 0 HB3 ARG B 46 2.298 -13.790 -6.203 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.149 -14.681 -6.566 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.455 -14.076 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.184 -11.836 -5.577 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.935 -12.216 -6.871 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.881 -13.152 -7.215 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.651 -10.815 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -0.164 -10.205 -9.444 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -2.966 -12.374 -9.097 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -2.232 -11.096 -10.071 1.00 0.00 H new ATOM 1927 N GLY B 47 4.019 -15.828 -4.103 1.00 0.00 N ATOM 1928 CA GLY B 47 5.449 -16.031 -3.936 1.00 0.00 C ATOM 1929 C GLY B 47 5.799 -17.478 -4.291 1.00 0.00 C ATOM 1930 O GLY B 47 6.869 -17.698 -4.876 1.00 0.00 O ATOM 0 H GLY B 47 3.529 -15.577 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY B 47 6.003 -15.343 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.741 -15.816 -2.908 1.00 0.00 H new ATOM 1934 N SER B 48 4.904 -18.418 -3.937 1.00 0.00 N ATOM 1935 CA SER B 48 5.118 -19.828 -4.218 1.00 0.00 C ATOM 1936 C SER B 48 4.839 -20.098 -5.697 1.00 0.00 C ATOM 1937 O SER B 48 5.671 -20.748 -6.346 1.00 0.00 O ATOM 1938 CB SER B 48 4.233 -20.714 -3.339 1.00 0.00 C ATOM 1939 OG SER B 48 4.959 -21.799 -2.770 1.00 0.00 O ATOM 0 H SER B 48 4.028 -18.215 -3.456 1.00 0.00 H new ATOM 0 HA SER B 48 6.155 -20.073 -3.990 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.797 -20.112 -2.542 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.406 -21.103 -3.933 1.00 0.00 H new ATOM 0 HG SER B 48 4.359 -22.339 -2.215 1.00 0.00 H new ATOM 1945 N THR B 49 3.691 -19.601 -6.194 1.00 0.00 N ATOM 1946 CA THR B 49 3.309 -19.788 -7.584 1.00 0.00 C ATOM 1947 C THR B 49 4.393 -19.201 -8.489 1.00 0.00 C ATOM 1948 O THR B 49 4.952 -19.950 -9.302 1.00 0.00 O ATOM 1949 CB THR B 49 1.931 -19.160 -7.799 1.00 0.00 C ATOM 1950 OG1 THR B 49 1.080 -19.875 -6.908 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.359 -19.464 -9.185 1.00 0.00 C ATOM 0 H THR B 49 3.019 -19.068 -5.643 1.00 0.00 H new ATOM 0 HA THR B 49 3.228 -20.844 -7.840 1.00 0.00 H new ATOM 0 HB THR B 49 1.999 -18.081 -7.663 1.00 0.00 H new ATOM 0 HG1 THR B 49 1.145 -19.486 -6.011 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.380 -18.995 -9.285 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.030 -19.071 -9.949 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.259 -20.542 -9.309 1.00 0.00 H new ATOM 1959 N LEU B 50 4.664 -17.892 -8.334 1.00 0.00 N ATOM 1960 CA LEU B 50 5.671 -17.214 -9.132 1.00 0.00 C ATOM 1961 C LEU B 50 7.058 -17.730 -8.741 1.00 0.00 C ATOM 1962 O LEU B 50 7.949 -17.738 -9.603 1.00 0.00 O ATOM 1963 CB LEU B 50 5.522 -15.696 -9.007 1.00 0.00 C ATOM 1964 CG LEU B 50 4.145 -15.127 -9.354 1.00 0.00 C ATOM 1965 CD1 LEU B 50 3.995 -13.696 -8.833 1.00 0.00 C ATOM 1966 CD2 LEU B 50 3.876 -15.221 -10.857 1.00 0.00 C ATOM 0 H LEU B 50 4.192 -17.292 -7.658 1.00 0.00 H new ATOM 0 HA LEU B 50 5.533 -17.438 -10.190 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.764 -15.410 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.262 -15.224 -9.653 1.00 0.00 H new ATOM 0 HG LEU B 50 3.389 -15.732 -8.853 1.00 0.00 H new ATOM 0 HD11 LEU B 50 3.007 -13.316 -9.093 1.00 0.00 H new ATOM 0 HD12 LEU B 50 4.113 -13.689 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU B 50 4.758 -13.062 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU B 50 2.891 -14.810 -11.077 1.00 0.00 H new ATOM 0 HD22 LEU B 50 4.634 -14.655 -11.398 1.00 0.00 H new ATOM 0 HD23 LEU B 50 3.911 -16.265 -11.168 1.00 0.00 H new ATOM 1978 N GLY B 51 7.210 -18.141 -7.470 1.00 0.00 N ATOM 1979 CA GLY B 51 8.476 -18.653 -6.972 1.00 0.00 C ATOM 1980 C GLY B 51 9.510 -17.525 -6.967 1.00 0.00 C ATOM 1981 O GLY B 51 10.706 -17.821 -7.100 1.00 0.00 O ATOM 0 H GLY B 51 6.463 -18.124 -6.776 1.00 0.00 H new ATOM 0 HA2 GLY B 51 8.350 -19.051 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY B 51 8.821 -19.475 -7.599 1.00 0.00 H new ATOM 1985 N LEU B 52 9.036 -16.275 -6.815 1.00 0.00 N ATOM 1986 CA LEU B 52 9.914 -15.117 -6.792 1.00 0.00 C ATOM 1987 C LEU B 52 10.150 -14.691 -5.342 1.00 0.00 C ATOM 1988 O LEU B 52 9.215 -14.801 -4.535 1.00 0.00 O ATOM 1989 CB LEU B 52 9.353 -14.002 -7.677 1.00 0.00 C ATOM 1990 CG LEU B 52 9.706 -14.084 -9.163 1.00 0.00 C ATOM 1991 CD1 LEU B 52 8.888 -13.080 -9.978 1.00 0.00 C ATOM 1992 CD2 LEU B 52 11.210 -13.905 -9.380 1.00 0.00 C ATOM 0 H LEU B 52 8.046 -16.053 -6.707 1.00 0.00 H new ATOM 0 HA LEU B 52 10.887 -15.368 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU B 52 8.267 -14.001 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.708 -13.046 -7.292 1.00 0.00 H new ATOM 0 HG LEU B 52 9.444 -15.080 -9.521 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.159 -13.160 -11.031 1.00 0.00 H new ATOM 0 HD12 LEU B 52 7.826 -13.294 -9.859 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.096 -12.070 -9.625 1.00 0.00 H new ATOM 0 HD21 LEU B 52 11.434 -13.968 -10.445 1.00 0.00 H new ATOM 0 HD22 LEU B 52 11.519 -12.931 -9.001 1.00 0.00 H new ATOM 0 HD23 LEU B 52 11.750 -14.689 -8.849 1.00 0.00 H new ATOM 2004 N ASN B 53 11.375 -14.220 -5.045 1.00 0.00 N ATOM 2005 CA ASN B 53 11.727 -13.782 -3.705 1.00 0.00 C ATOM 2006 C ASN B 53 10.966 -12.495 -3.377 1.00 0.00 C ATOM 2007 O ASN B 53 11.031 -11.552 -4.179 1.00 0.00 O ATOM 2008 CB ASN B 53 13.225 -13.487 -3.598 1.00 0.00 C ATOM 2009 CG ASN B 53 13.716 -13.658 -2.159 1.00 0.00 C ATOM 2010 OD1 ASN B 53 13.007 -12.979 -1.262 1.00 0.00 O flip ATOM 2011 ND2 ASN B 53 14.675 -14.360 -1.882 1.00 0.00 N flip ATOM 0 H ASN B 53 12.131 -14.138 -5.725 1.00 0.00 H new ATOM 0 HA ASN B 53 11.466 -14.580 -3.010 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.779 -14.156 -4.257 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.424 -12.470 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN B 53 15.175 -14.855 -2.621 1.00 0.00 H new ATOM 0 HD22 ASN B 53 14.976 -14.452 -0.912 1.00 0.00 H new ATOM 2018 N ILE B 54 10.275 -12.482 -2.224 1.00 0.00 N ATOM 2019 CA ILE B 54 9.511 -11.322 -1.797 1.00 0.00 C ATOM 2020 C ILE B 54 10.473 -10.230 -1.323 1.00 0.00 C ATOM 2021 O ILE B 54 10.196 -9.049 -1.576 1.00 0.00 O ATOM 2022 CB ILE B 54 8.470 -11.722 -0.750 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.173 -12.186 -1.416 1.00 0.00 C ATOM 2024 CG2 ILE B 54 8.228 -10.585 0.244 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.434 -13.358 -2.365 1.00 0.00 C ATOM 0 H ILE B 54 10.237 -13.270 -1.577 1.00 0.00 H new ATOM 0 HA ILE B 54 8.946 -10.909 -2.632 1.00 0.00 H new ATOM 0 HB ILE B 54 8.862 -12.567 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.454 -12.484 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.727 -11.359 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE B 54 7.484 -10.895 0.978 1.00 0.00 H new ATOM 0 HG22 ILE B 54 9.161 -10.342 0.753 1.00 0.00 H new ATOM 0 HG23 ILE B 54 7.867 -9.706 -0.290 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.496 -13.669 -2.826 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.134 -13.049 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE B 54 7.857 -14.192 -1.805 1.00 0.00 H new ATOM 2037 N GLU B 55 11.566 -10.639 -0.655 1.00 0.00 N ATOM 2038 CA GLU B 55 12.556 -9.703 -0.151 1.00 0.00 C ATOM 2039 C GLU B 55 13.160 -8.927 -1.323 1.00 0.00 C ATOM 2040 O GLU B 55 13.201 -7.690 -1.254 1.00 0.00 O ATOM 2041 CB GLU B 55 13.645 -10.415 0.653 1.00 0.00 C ATOM 2042 CG GLU B 55 13.093 -10.935 1.983 1.00 0.00 C ATOM 2043 CD GLU B 55 14.214 -11.503 2.857 1.00 0.00 C ATOM 2044 OE1 GLU B 55 15.364 -10.942 2.701 1.00 0.00 O ATOM 2045 OE2 GLU B 55 13.977 -12.434 3.640 1.00 0.00 O ATOM 0 H GLU B 55 11.776 -11.617 -0.457 1.00 0.00 H new ATOM 0 HA GLU B 55 12.064 -9.006 0.528 1.00 0.00 H new ATOM 0 HB2 GLU B 55 14.047 -11.245 0.072 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.471 -9.729 0.841 1.00 0.00 H new ATOM 0 HG2 GLU B 55 12.588 -10.127 2.512 1.00 0.00 H new ATOM 0 HG3 GLU B 55 12.347 -11.707 1.794 1.00 0.00 H new ATOM 2052 N ALA B 56 13.609 -9.657 -2.361 1.00 0.00 N ATOM 2053 CA ALA B 56 14.203 -9.040 -3.535 1.00 0.00 C ATOM 2054 C ALA B 56 13.146 -8.203 -4.258 1.00 0.00 C ATOM 2055 O ALA B 56 13.494 -7.130 -4.771 1.00 0.00 O ATOM 2056 CB ALA B 56 14.639 -10.126 -4.521 1.00 0.00 C ATOM 0 H ALA B 56 13.566 -10.675 -2.399 1.00 0.00 H new ATOM 0 HA ALA B 56 15.048 -8.431 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA B 56 15.084 -9.661 -5.401 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.372 -10.777 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.772 -10.714 -4.821 1.00 0.00 H new ATOM 2062 N ALA B 57 11.897 -8.702 -4.283 1.00 0.00 N ATOM 2063 CA ALA B 57 10.803 -8.006 -4.937 1.00 0.00 C ATOM 2064 C ALA B 57 10.567 -6.665 -4.238 1.00 0.00 C ATOM 2065 O ALA B 57 10.358 -5.664 -4.937 1.00 0.00 O ATOM 2066 CB ALA B 57 9.511 -8.808 -4.773 1.00 0.00 C ATOM 0 H ALA B 57 11.632 -9.588 -3.853 1.00 0.00 H new ATOM 0 HA ALA B 57 11.058 -7.874 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.692 -8.283 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.634 -9.792 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.285 -8.921 -3.713 1.00 0.00 H new ATOM 2072 N THR B 58 10.604 -6.673 -2.893 1.00 0.00 N ATOM 2073 CA THR B 58 10.396 -5.467 -2.109 1.00 0.00 C ATOM 2074 C THR B 58 11.428 -4.415 -2.519 1.00 0.00 C ATOM 2075 O THR B 58 11.078 -3.226 -2.549 1.00 0.00 O ATOM 2076 CB THR B 58 10.455 -5.832 -0.626 1.00 0.00 C ATOM 2077 OG1 THR B 58 9.320 -6.671 -0.428 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.192 -4.630 0.284 1.00 0.00 C ATOM 0 H THR B 58 10.777 -7.510 -2.336 1.00 0.00 H new ATOM 0 HA THR B 58 9.415 -5.031 -2.296 1.00 0.00 H new ATOM 0 HB THR B 58 11.433 -6.255 -0.396 1.00 0.00 H new ATOM 0 HG1 THR B 58 9.508 -7.565 -0.784 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.246 -4.944 1.326 1.00 0.00 H new ATOM 0 HG22 THR B 58 10.942 -3.862 0.098 1.00 0.00 H new ATOM 0 HG23 THR B 58 9.201 -4.227 0.077 1.00 0.00 H new ATOM 2086 N HIS B 59 12.660 -4.864 -2.820 1.00 0.00 N ATOM 2087 CA HIS B 59 13.729 -3.966 -3.222 1.00 0.00 C ATOM 2088 C HIS B 59 13.360 -3.302 -4.550 1.00 0.00 C ATOM 2089 O HIS B 59 13.441 -2.068 -4.634 1.00 0.00 O ATOM 2090 CB HIS B 59 15.069 -4.704 -3.280 1.00 0.00 C ATOM 2091 CG HIS B 59 15.697 -4.942 -1.928 1.00 0.00 C ATOM 2092 ND1 HIS B 59 17.039 -4.719 -1.675 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.154 -5.386 -0.758 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.282 -5.019 -0.408 1.00 0.00 C ATOM 2095 NE2 HIS B 59 16.113 -5.433 0.159 1.00 0.00 N ATOM 0 H HIS B 59 12.929 -5.848 -2.789 1.00 0.00 H new ATOM 0 HA HIS B 59 13.849 -3.178 -2.478 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.923 -5.664 -3.775 1.00 0.00 H new ATOM 0 HB3 HIS B 59 15.762 -4.130 -3.895 1.00 0.00 H new ATOM 0 HD2 HIS B 59 14.119 -5.654 -0.604 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.238 -4.948 0.089 1.00 0.00 H new ATOM 0 HE2 HIS B 59 15.995 -5.730 1.128 1.00 0.00 H new ATOM 2103 N VAL B 60 12.968 -4.120 -5.544 1.00 0.00 N ATOM 2104 CA VAL B 60 12.592 -3.614 -6.853 1.00 0.00 C ATOM 2105 C VAL B 60 11.455 -2.602 -6.696 1.00 0.00 C ATOM 2106 O VAL B 60 11.495 -1.562 -7.369 1.00 0.00 O ATOM 2107 CB VAL B 60 12.233 -4.778 -7.779 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.884 -4.274 -9.181 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.363 -5.807 -7.831 1.00 0.00 C ATOM 0 H VAL B 60 12.907 -5.134 -5.453 1.00 0.00 H new ATOM 0 HA VAL B 60 13.429 -3.093 -7.317 1.00 0.00 H new ATOM 0 HB VAL B 60 11.351 -5.272 -7.371 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.633 -5.121 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL B 60 11.031 -3.598 -9.123 1.00 0.00 H new ATOM 0 HG13 VAL B 60 12.739 -3.744 -9.601 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.081 -6.623 -8.496 1.00 0.00 H new ATOM 0 HG22 VAL B 60 14.271 -5.332 -8.203 1.00 0.00 H new ATOM 0 HG23 VAL B 60 13.543 -6.200 -6.830 1.00 0.00 H new ATOM 2119 N GLY B 61 10.480 -2.922 -5.825 1.00 0.00 N ATOM 2120 CA GLY B 61 9.345 -2.047 -5.585 1.00 0.00 C ATOM 2121 C GLY B 61 9.848 -0.695 -5.074 1.00 0.00 C ATOM 2122 O GLY B 61 9.362 0.337 -5.559 1.00 0.00 O ATOM 0 H GLY B 61 10.467 -3.784 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.774 -1.912 -6.504 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.672 -2.497 -4.855 1.00 0.00 H new ATOM 2126 N LYS B 62 10.797 -0.727 -4.121 1.00 0.00 N ATOM 2127 CA LYS B 62 11.358 0.487 -3.553 1.00 0.00 C ATOM 2128 C LYS B 62 11.815 1.411 -4.684 1.00 0.00 C ATOM 2129 O LYS B 62 11.550 2.620 -4.602 1.00 0.00 O ATOM 2130 CB LYS B 62 12.464 0.148 -2.551 1.00 0.00 C ATOM 2131 CG LYS B 62 13.372 1.355 -2.308 1.00 0.00 C ATOM 2132 CD LYS B 62 12.579 2.532 -1.736 1.00 0.00 C ATOM 2133 CE LYS B 62 12.863 3.816 -2.518 1.00 0.00 C ATOM 2134 NZ LYS B 62 13.496 4.821 -1.648 1.00 0.00 N ATOM 0 H LYS B 62 11.184 -1.588 -3.735 1.00 0.00 H new ATOM 0 HA LYS B 62 10.600 1.028 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS B 62 12.020 -0.173 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS B 62 13.056 -0.687 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS B 62 14.171 1.081 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.846 1.652 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.513 2.308 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.840 2.675 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.514 3.597 -3.364 1.00 0.00 H new ATOM 0 HE3 LYS B 62 11.934 4.213 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 13.105 5.761 -1.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.309 4.586 -0.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 14.523 4.827 -1.815 1.00 0.00 H new ATOM 2148 N GLN B 63 12.481 0.836 -5.700 1.00 0.00 N ATOM 2149 CA GLN B 63 12.969 1.602 -6.835 1.00 0.00 C ATOM 2150 C GLN B 63 11.780 2.075 -7.673 1.00 0.00 C ATOM 2151 O GLN B 63 11.833 3.203 -8.187 1.00 0.00 O ATOM 2152 CB GLN B 63 13.949 0.789 -7.683 1.00 0.00 C ATOM 2153 CG GLN B 63 15.397 1.124 -7.322 1.00 0.00 C ATOM 2154 CD GLN B 63 15.800 0.460 -6.003 1.00 0.00 C ATOM 2155 OE1 GLN B 63 15.357 -0.786 -5.866 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 16.470 1.042 -5.165 1.00 0.00 N flip ATOM 0 H GLN B 63 12.689 -0.161 -5.748 1.00 0.00 H new ATOM 0 HA GLN B 63 13.516 2.469 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.770 -0.275 -7.531 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.777 0.994 -8.740 1.00 0.00 H new ATOM 0 HG2 GLN B 63 16.061 0.790 -8.119 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.515 2.205 -7.240 1.00 0.00 H new ATOM 0 HE21 GLN B 63 16.778 2.000 -5.334 1.00 0.00 H new ATOM 0 HE22 GLN B 63 16.722 0.571 -4.296 1.00 0.00 H new ATOM 2165 N ILE B 64 10.748 1.222 -7.792 1.00 0.00 N ATOM 2166 CA ILE B 64 9.560 1.551 -8.559 1.00 0.00 C ATOM 2167 C ILE B 64 8.904 2.800 -7.966 1.00 0.00 C ATOM 2168 O ILE B 64 8.374 3.612 -8.738 1.00 0.00 O ATOM 2169 CB ILE B 64 8.623 0.345 -8.642 1.00 0.00 C ATOM 2170 CG1 ILE B 64 9.132 -0.676 -9.662 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.187 0.784 -8.938 1.00 0.00 C ATOM 2172 CD1 ILE B 64 8.919 -0.174 -11.092 1.00 0.00 C ATOM 0 H ILE B 64 10.724 0.298 -7.360 1.00 0.00 H new ATOM 0 HA ILE B 64 9.827 1.789 -9.589 1.00 0.00 H new ATOM 0 HB ILE B 64 8.615 -0.148 -7.670 1.00 0.00 H new ATOM 0 HG12 ILE B 64 10.192 -0.867 -9.494 1.00 0.00 H new ATOM 0 HG13 ILE B 64 8.612 -1.624 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.542 -0.093 -8.992 1.00 0.00 H new ATOM 0 HG22 ILE B 64 6.837 1.444 -8.144 1.00 0.00 H new ATOM 0 HG23 ILE B 64 7.158 1.315 -9.890 1.00 0.00 H new ATOM 0 HD11 ILE B 64 9.289 -0.918 -11.798 1.00 0.00 H new ATOM 0 HD12 ILE B 64 7.856 -0.008 -11.265 1.00 0.00 H new ATOM 0 HD13 ILE B 64 9.460 0.761 -11.234 1.00 0.00 H new ATOM 2184 N VAL B 65 8.951 2.926 -6.627 1.00 0.00 N ATOM 2185 CA VAL B 65 8.365 4.064 -5.940 1.00 0.00 C ATOM 2186 C VAL B 65 9.251 5.293 -6.151 1.00 0.00 C ATOM 2187 O VAL B 65 8.709 6.366 -6.454 1.00 0.00 O ATOM 2188 CB VAL B 65 8.150 3.729 -4.463 1.00 0.00 C ATOM 2189 CG1 VAL B 65 7.863 4.994 -3.650 1.00 0.00 C ATOM 2190 CG2 VAL B 65 7.030 2.701 -4.291 1.00 0.00 C ATOM 0 H VAL B 65 9.393 2.245 -6.009 1.00 0.00 H new ATOM 0 HA VAL B 65 7.383 4.296 -6.353 1.00 0.00 H new ATOM 0 HB VAL B 65 9.071 3.288 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.714 4.728 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.706 5.679 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.964 5.477 -4.033 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.898 2.481 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL B 65 6.102 3.103 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL B 65 7.291 1.786 -4.822 1.00 0.00 H new ATOM 2200 N GLU B 66 10.575 5.116 -5.990 1.00 0.00 N ATOM 2201 CA GLU B 66 11.525 6.202 -6.162 1.00 0.00 C ATOM 2202 C GLU B 66 11.454 6.711 -7.604 1.00 0.00 C ATOM 2203 O GLU B 66 11.703 7.907 -7.819 1.00 0.00 O ATOM 2204 CB GLU B 66 12.947 5.768 -5.804 1.00 0.00 C ATOM 2205 CG GLU B 66 13.363 6.325 -4.442 1.00 0.00 C ATOM 2206 CD GLU B 66 14.850 6.075 -4.178 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.213 4.839 -4.233 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.604 7.028 -3.933 1.00 0.00 O ATOM 0 H GLU B 66 11.001 4.223 -5.740 1.00 0.00 H new ATOM 0 HA GLU B 66 11.259 7.010 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.006 4.680 -5.789 1.00 0.00 H new ATOM 0 HB3 GLU B 66 13.641 6.115 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU B 66 13.158 7.395 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU B 66 12.767 5.859 -3.657 1.00 0.00 H new ATOM 2215 N LYS B 67 11.121 5.811 -8.545 1.00 0.00 N ATOM 2216 CA LYS B 67 11.019 6.168 -9.950 1.00 0.00 C ATOM 2217 C LYS B 67 9.777 7.036 -10.163 1.00 0.00 C ATOM 2218 O LYS B 67 9.852 7.991 -10.951 1.00 0.00 O ATOM 2219 CB LYS B 67 11.049 4.913 -10.825 1.00 0.00 C ATOM 2220 CG LYS B 67 12.487 4.448 -11.067 1.00 0.00 C ATOM 2221 CD LYS B 67 12.603 3.694 -12.394 1.00 0.00 C ATOM 2222 CE LYS B 67 13.683 2.613 -12.317 1.00 0.00 C ATOM 2223 NZ LYS B 67 15.015 3.222 -12.174 1.00 0.00 N ATOM 0 H LYS B 67 10.919 4.831 -8.346 1.00 0.00 H new ATOM 0 HA LYS B 67 11.880 6.763 -10.255 1.00 0.00 H new ATOM 0 HB2 LYS B 67 10.481 4.116 -10.344 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.564 5.119 -11.779 1.00 0.00 H new ATOM 0 HG2 LYS B 67 13.155 5.309 -11.074 1.00 0.00 H new ATOM 0 HG3 LYS B 67 12.807 3.803 -10.249 1.00 0.00 H new ATOM 0 HD2 LYS B 67 11.644 3.239 -12.643 1.00 0.00 H new ATOM 0 HD3 LYS B 67 12.841 4.394 -13.195 1.00 0.00 H new ATOM 0 HE2 LYS B 67 13.486 1.954 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS B 67 13.653 1.997 -13.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 15.741 2.477 -12.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 15.180 3.885 -12.958 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 15.067 3.735 -11.271 1.00 0.00 H new ATOM 2237 N ILE B 68 8.677 6.694 -9.469 1.00 0.00 N ATOM 2238 CA ILE B 68 7.433 7.438 -9.581 1.00 0.00 C ATOM 2239 C ILE B 68 7.558 8.751 -8.807 1.00 0.00 C ATOM 2240 O ILE B 68 6.925 9.738 -9.213 1.00 0.00 O ATOM 2241 CB ILE B 68 6.250 6.573 -9.139 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.648 5.821 -10.327 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.205 7.410 -8.401 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.408 4.350 -9.981 1.00 0.00 C ATOM 0 H ILE B 68 8.636 5.903 -8.826 1.00 0.00 H new ATOM 0 HA ILE B 68 7.237 7.698 -10.621 1.00 0.00 H new ATOM 0 HB ILE B 68 6.617 5.825 -8.437 1.00 0.00 H new ATOM 0 HG12 ILE B 68 4.707 6.288 -10.618 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.318 5.892 -11.184 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.375 6.771 -8.098 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.657 7.861 -7.518 1.00 0.00 H new ATOM 0 HG23 ILE B 68 4.836 8.196 -9.061 1.00 0.00 H new ATOM 0 HD11 ILE B 68 4.980 3.839 -10.843 1.00 0.00 H new ATOM 0 HD12 ILE B 68 6.354 3.880 -9.714 1.00 0.00 H new ATOM 0 HD13 ILE B 68 4.719 4.282 -9.139 1.00 0.00 H new ATOM 2256 N LEU B 69 8.356 8.740 -7.725 1.00 0.00 N ATOM 2257 CA LEU B 69 8.559 9.922 -6.905 1.00 0.00 C ATOM 2258 C LEU B 69 9.486 10.894 -7.638 1.00 0.00 C ATOM 2259 O LEU B 69 9.332 12.109 -7.452 1.00 0.00 O ATOM 2260 CB LEU B 69 9.057 9.528 -5.512 1.00 0.00 C ATOM 2261 CG LEU B 69 7.983 9.093 -4.514 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.614 8.486 -3.260 1.00 0.00 C ATOM 2263 CD2 LEU B 69 7.043 10.253 -4.178 1.00 0.00 C ATOM 0 H LEU B 69 8.868 7.917 -7.407 1.00 0.00 H new ATOM 0 HA LEU B 69 7.614 10.442 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.774 8.715 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU B 69 9.597 10.375 -5.088 1.00 0.00 H new ATOM 0 HG LEU B 69 7.379 8.315 -4.981 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.829 8.185 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.207 7.615 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU B 69 9.256 9.225 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.289 9.916 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.616 11.070 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.554 10.600 -5.088 1.00 0.00 H new ATOM 2275 N LYS B 70 10.415 10.347 -8.443 1.00 0.00 N ATOM 2276 CA LYS B 70 11.356 11.160 -9.195 1.00 0.00 C ATOM 2277 C LYS B 70 10.596 11.973 -10.244 1.00 0.00 C ATOM 2278 O LYS B 70 11.071 13.060 -10.605 1.00 0.00 O ATOM 2279 CB LYS B 70 12.469 10.288 -9.780 1.00 0.00 C ATOM 2280 CG LYS B 70 13.721 11.118 -10.067 1.00 0.00 C ATOM 2281 CD LYS B 70 14.783 10.901 -8.988 1.00 0.00 C ATOM 2282 CE LYS B 70 14.252 11.297 -7.609 1.00 0.00 C ATOM 2283 NZ LYS B 70 14.192 12.763 -7.482 1.00 0.00 N ATOM 0 H LYS B 70 10.525 9.342 -8.582 1.00 0.00 H new ATOM 0 HA LYS B 70 11.854 11.873 -8.538 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.712 9.486 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.122 9.817 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS B 70 14.127 10.845 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.458 12.175 -10.116 1.00 0.00 H new ATOM 0 HD2 LYS B 70 15.088 9.854 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS B 70 15.670 11.489 -9.223 1.00 0.00 H new ATOM 0 HE2 LYS B 70 13.260 10.872 -7.459 1.00 0.00 H new ATOM 0 HE3 LYS B 70 14.896 10.885 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 14.783 13.067 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 14.542 13.202 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.208 13.057 -7.317 1.00 0.00 H new ATOM 2297 N GLU B 71 9.450 11.442 -10.704 1.00 0.00 N ATOM 2298 CA GLU B 71 8.634 12.114 -11.701 1.00 0.00 C ATOM 2299 C GLU B 71 7.805 13.205 -11.024 1.00 0.00 C ATOM 2300 O GLU B 71 7.334 14.112 -11.727 1.00 0.00 O ATOM 2301 CB GLU B 71 7.737 11.128 -12.452 1.00 0.00 C ATOM 2302 CG GLU B 71 8.226 9.690 -12.265 1.00 0.00 C ATOM 2303 CD GLU B 71 7.448 8.726 -13.163 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.248 8.930 -13.398 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.134 7.736 -13.623 1.00 0.00 O ATOM 0 H GLU B 71 9.076 10.545 -10.393 1.00 0.00 H new ATOM 0 HA GLU B 71 9.292 12.570 -12.441 1.00 0.00 H new ATOM 0 HB2 GLU B 71 6.712 11.217 -12.092 1.00 0.00 H new ATOM 0 HB3 GLU B 71 7.725 11.377 -13.513 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.289 9.631 -12.497 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.110 9.395 -11.222 1.00 0.00 H new