USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 HIS :FLIP no HE2:sc= 0.0684 F(o=-1.2,f=-0.4) USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= -0.47 USER MOD Set 2.1: A 26 MET CE :methyl -122:sc= -3.71! (180deg=-2.53!) USER MOD Set 2.2: A 80 CYS SG : rot -50:sc= -0.29 USER MOD Set 2.3: A 88 THR OG1 : rot 85:sc= -0.934! USER MOD Set 3.1: A 62 HIS : no HD1:sc= 0.145 K(o=0.22,f=-1.6) USER MOD Set 3.2: A 66 ASN : amide:sc= 0.0741 K(o=0.22,f=-1.5!) USER MOD Set 4.1: A 27 SER OG : rot 66:sc= 1.2 USER MOD Set 4.2: A 61 THR OG1 : rot 91:sc= 0.774 USER MOD Set 5.1: A 59 LYS NZ :NH3+ -143:sc= 1.35 (180deg=-0.516) USER MOD Set 5.2: A 95 TYR OH : rot 31:sc= 1.35 USER MOD Set 6.1: A 48 THR OG1 : rot 110:sc= 0.358 USER MOD Set 6.2: A 49 THR OG1 : rot 180:sc= -0.0347 USER MOD Single : A 10 THR OG1 : rot -24:sc= 0.318 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0433 (180deg=-0.29) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -100:sc= 0.145 USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= 0.634 (180deg=0.368) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.0566 (180deg=-0.309) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 73:sc= 0.955 USER MOD Single : A 35 ASN : amide:sc= 1.91 K(o=1.9,f=-6!) USER MOD Single : A 37 TYR OH : rot -140:sc= -1.89 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -80:sc= -3.99! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc=-0.00589 (180deg=-0.18) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -89:sc= 1.2 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.504 K(o=-0.5,f=-2.7!) USER MOD Single : A 81 ASN : amide:sc= -4.65! C(o=-4.6!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= -0.0163 K(o=-0.016,f=-2.2!) USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= 1.25 (180deg=1.07) USER MOD Single : A 86 HIS : no HD1:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -148:sc= 1.17 (180deg=-0.0778) USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= 1.18 (180deg=0.982) USER MOD Single : A 91 TYR OH : rot -96:sc= 0.673 USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0553) USER MOD Single : A 94 LYS NZ :NH3+ 171:sc=-0.000253 (180deg=-0.0886) USER MOD Single : A 96 MET CE :methyl 161:sc= -2.32 (180deg=-3.09!) USER MOD Single : A 97 GLN : amide:sc= -0.22 K(o=-0.22,f=-4.4!) USER MOD Single : A 98 LYS NZ :NH3+ 152:sc= -1.33! (180deg=-2.79!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -31:sc= 0.133 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 10 -3.159 -23.105 3.530 1.00 0.00 N ATOM 2 CA THR A 10 -2.271 -22.504 4.498 1.00 0.00 C ATOM 3 C THR A 10 -2.273 -20.972 4.422 1.00 0.00 C ATOM 4 O THR A 10 -1.324 -20.333 4.846 1.00 0.00 O ATOM 5 CB THR A 10 -0.847 -23.025 4.244 1.00 0.00 C ATOM 6 OG1 THR A 10 -0.542 -22.923 2.832 1.00 0.00 O ATOM 7 CG2 THR A 10 -0.706 -24.474 4.688 1.00 0.00 C ATOM 0 HA THR A 10 -2.620 -22.778 5.494 1.00 0.00 H new ATOM 0 HB THR A 10 -0.151 -22.418 4.823 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.376 -22.921 2.317 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.311 -24.816 4.496 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.920 -24.550 5.754 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.408 -25.095 4.132 1.00 0.00 H new ATOM 15 N SER A 11 -3.358 -20.380 3.970 1.00 0.00 N ATOM 16 CA SER A 11 -3.376 -18.943 3.750 1.00 0.00 C ATOM 17 C SER A 11 -3.498 -18.199 5.024 1.00 0.00 C ATOM 18 O SER A 11 -3.203 -17.021 5.081 1.00 0.00 O ATOM 19 CB SER A 11 -4.477 -18.567 2.832 1.00 0.00 C ATOM 20 OG SER A 11 -4.509 -19.434 1.713 1.00 0.00 O ATOM 0 H SER A 11 -4.230 -20.861 3.749 1.00 0.00 H new ATOM 0 HA SER A 11 -2.425 -18.672 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.429 -18.611 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.344 -17.538 2.498 1.00 0.00 H new ATOM 0 HG SER A 11 -5.243 -19.173 1.118 1.00 0.00 H new ATOM 26 N SER A 12 -3.919 -18.867 6.023 1.00 0.00 N ATOM 27 CA SER A 12 -3.997 -18.305 7.289 1.00 0.00 C ATOM 28 C SER A 12 -2.596 -17.944 7.761 1.00 0.00 C ATOM 29 O SER A 12 -2.321 -16.787 8.119 1.00 0.00 O ATOM 30 CB SER A 12 -4.661 -19.310 8.187 1.00 0.00 C ATOM 31 OG SER A 12 -4.050 -20.596 8.038 1.00 0.00 O ATOM 0 H SER A 12 -4.223 -19.839 5.972 1.00 0.00 H new ATOM 0 HA SER A 12 -4.584 -17.387 7.294 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.588 -18.984 9.224 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.722 -19.375 7.948 1.00 0.00 H new ATOM 0 HG SER A 12 -4.492 -21.239 8.631 1.00 0.00 H new ATOM 37 N GLU A 13 -1.698 -18.905 7.707 1.00 0.00 N ATOM 38 CA GLU A 13 -0.337 -18.732 8.177 1.00 0.00 C ATOM 39 C GLU A 13 0.532 -18.007 7.152 1.00 0.00 C ATOM 40 O GLU A 13 1.360 -17.171 7.513 1.00 0.00 O ATOM 41 CB GLU A 13 0.264 -20.081 8.577 1.00 0.00 C ATOM 42 CG GLU A 13 0.118 -21.157 7.495 1.00 0.00 C ATOM 43 CD GLU A 13 0.873 -22.420 7.800 1.00 0.00 C ATOM 44 OE1 GLU A 13 2.078 -22.491 7.483 1.00 0.00 O ATOM 45 OE2 GLU A 13 0.280 -23.371 8.344 1.00 0.00 O ATOM 0 H GLU A 13 -1.892 -19.834 7.334 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.365 -18.097 9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.321 -19.946 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.217 -20.428 9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.938 -21.395 7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.468 -20.755 6.544 1.00 0.00 H new ATOM 52 N LEU A 14 0.310 -18.312 5.877 1.00 0.00 N ATOM 53 CA LEU A 14 1.052 -17.719 4.759 1.00 0.00 C ATOM 54 C LEU A 14 0.880 -16.227 4.786 1.00 0.00 C ATOM 55 O LEU A 14 1.802 -15.458 4.557 1.00 0.00 O ATOM 56 CB LEU A 14 0.462 -18.231 3.453 1.00 0.00 C ATOM 57 CG LEU A 14 1.222 -17.898 2.165 1.00 0.00 C ATOM 58 CD1 LEU A 14 2.606 -18.528 2.169 1.00 0.00 C ATOM 59 CD2 LEU A 14 0.430 -18.352 0.948 1.00 0.00 C ATOM 0 H LEU A 14 -0.398 -18.985 5.583 1.00 0.00 H new ATOM 0 HA LEU A 14 2.106 -17.983 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.375 -19.315 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.549 -17.835 3.361 1.00 0.00 H new ATOM 0 HG LEU A 14 1.346 -16.816 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.123 -18.276 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.176 -18.150 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.513 -19.611 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.984 -18.108 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.272 -19.429 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.534 -17.844 0.931 1.00 0.00 H new ATOM 71 N ALA A 15 -0.288 -15.843 5.169 1.00 0.00 N ATOM 72 CA ALA A 15 -0.648 -14.486 5.171 1.00 0.00 C ATOM 73 C ALA A 15 -0.337 -13.807 6.476 1.00 0.00 C ATOM 74 O ALA A 15 -0.500 -12.605 6.591 1.00 0.00 O ATOM 75 CB ALA A 15 -2.042 -14.280 4.760 1.00 0.00 C ATOM 0 H ALA A 15 -1.020 -16.476 5.491 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.024 -14.005 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.273 -13.215 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.184 -14.666 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.705 -14.806 5.446 1.00 0.00 H new ATOM 81 N LYS A 16 0.112 -14.557 7.470 1.00 0.00 N ATOM 82 CA LYS A 16 0.629 -13.924 8.665 1.00 0.00 C ATOM 83 C LYS A 16 1.901 -13.219 8.246 1.00 0.00 C ATOM 84 O LYS A 16 2.187 -12.123 8.675 1.00 0.00 O ATOM 85 CB LYS A 16 0.901 -14.941 9.805 1.00 0.00 C ATOM 86 CG LYS A 16 1.687 -14.370 11.007 1.00 0.00 C ATOM 87 CD LYS A 16 0.959 -13.231 11.746 1.00 0.00 C ATOM 88 CE LYS A 16 0.077 -13.714 12.911 1.00 0.00 C ATOM 89 NZ LYS A 16 -1.038 -14.593 12.512 1.00 0.00 N ATOM 0 H LYS A 16 0.128 -15.577 7.473 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.103 -13.227 9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.053 -15.328 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.454 -15.786 9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.889 -15.176 11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.652 -14.004 10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.698 -12.527 12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.339 -12.686 11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.703 -14.246 13.628 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.330 -12.844 13.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.694 -14.707 13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.543 -14.170 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.665 -15.523 12.236 1.00 0.00 H new ATOM 103 N LYS A 17 2.632 -13.870 7.364 1.00 0.00 N ATOM 104 CA LYS A 17 3.821 -13.298 6.790 1.00 0.00 C ATOM 105 C LYS A 17 3.475 -12.359 5.623 1.00 0.00 C ATOM 106 O LYS A 17 3.960 -11.237 5.569 1.00 0.00 O ATOM 107 CB LYS A 17 4.840 -14.370 6.324 1.00 0.00 C ATOM 108 CG LYS A 17 5.410 -15.281 7.425 1.00 0.00 C ATOM 109 CD LYS A 17 4.417 -16.336 7.896 1.00 0.00 C ATOM 110 CE LYS A 17 5.010 -17.206 8.988 1.00 0.00 C ATOM 111 NZ LYS A 17 4.120 -18.325 9.345 1.00 0.00 N ATOM 0 H LYS A 17 2.414 -14.809 7.029 1.00 0.00 H new ATOM 0 HA LYS A 17 4.295 -12.723 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.360 -14.997 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.671 -13.864 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.307 -15.775 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.713 -14.669 8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.515 -15.849 8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.119 -16.960 7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.971 -17.599 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.201 -16.598 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.562 -18.895 10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.211 -17.951 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.958 -18.920 8.508 1.00 0.00 H new ATOM 125 N SER A 18 2.591 -12.813 4.717 1.00 0.00 N ATOM 126 CA SER A 18 2.315 -12.086 3.476 1.00 0.00 C ATOM 127 C SER A 18 1.783 -10.667 3.692 1.00 0.00 C ATOM 128 O SER A 18 2.151 -9.801 2.968 1.00 0.00 O ATOM 129 CB SER A 18 1.409 -12.882 2.505 1.00 0.00 C ATOM 130 OG SER A 18 1.375 -12.276 1.205 1.00 0.00 O ATOM 0 H SER A 18 2.060 -13.677 4.825 1.00 0.00 H new ATOM 0 HA SER A 18 3.291 -11.977 3.002 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.774 -13.906 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.398 -12.936 2.910 1.00 0.00 H new ATOM 0 HG SER A 18 0.554 -11.749 1.111 1.00 0.00 H new ATOM 136 N LYS A 19 0.958 -10.419 4.719 1.00 0.00 N ATOM 137 CA LYS A 19 0.419 -9.059 4.930 1.00 0.00 C ATOM 138 C LYS A 19 1.517 -8.143 5.358 1.00 0.00 C ATOM 139 O LYS A 19 1.469 -6.961 5.096 1.00 0.00 O ATOM 140 CB LYS A 19 -0.668 -8.999 6.000 1.00 0.00 C ATOM 141 CG LYS A 19 -1.757 -10.018 5.916 1.00 0.00 C ATOM 142 CD LYS A 19 -2.859 -9.635 6.869 1.00 0.00 C ATOM 143 CE LYS A 19 -3.552 -10.835 7.428 1.00 0.00 C ATOM 144 NZ LYS A 19 -2.631 -11.650 8.258 1.00 0.00 N ATOM 0 H LYS A 19 0.654 -11.115 5.400 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.018 -8.758 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.190 -9.093 6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.125 -8.010 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.142 -10.075 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.369 -11.006 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.445 -9.042 7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.583 -9.005 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.404 -10.518 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.946 -11.443 6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.183 -12.309 8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.991 -12.189 7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.072 -11.024 8.873 1.00 0.00 H new ATOM 158 N GLU A 20 2.500 -8.695 6.015 1.00 0.00 N ATOM 159 CA GLU A 20 3.611 -7.924 6.515 1.00 0.00 C ATOM 160 C GLU A 20 4.501 -7.601 5.369 1.00 0.00 C ATOM 161 O GLU A 20 4.812 -6.451 5.139 1.00 0.00 O ATOM 162 CB GLU A 20 4.377 -8.709 7.547 1.00 0.00 C ATOM 163 CG GLU A 20 3.476 -9.358 8.546 1.00 0.00 C ATOM 164 CD GLU A 20 2.660 -8.379 9.344 1.00 0.00 C ATOM 165 OE1 GLU A 20 3.201 -7.758 10.279 1.00 0.00 O ATOM 166 OE2 GLU A 20 1.458 -8.211 9.057 1.00 0.00 O ATOM 0 H GLU A 20 2.556 -9.693 6.220 1.00 0.00 H new ATOM 0 HA GLU A 20 3.245 -7.012 6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.975 -9.473 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.071 -8.046 8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.804 -10.041 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.077 -9.959 9.228 1.00 0.00 H new ATOM 173 N VAL A 21 4.842 -8.628 4.604 1.00 0.00 N ATOM 174 CA VAL A 21 5.673 -8.465 3.436 1.00 0.00 C ATOM 175 C VAL A 21 4.974 -7.510 2.490 1.00 0.00 C ATOM 176 O VAL A 21 5.567 -6.551 2.044 1.00 0.00 O ATOM 177 CB VAL A 21 5.966 -9.818 2.734 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.817 -9.618 1.485 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.661 -10.778 3.690 1.00 0.00 C ATOM 0 H VAL A 21 4.549 -9.589 4.780 1.00 0.00 H new ATOM 0 HA VAL A 21 6.639 -8.062 3.740 1.00 0.00 H new ATOM 0 HB VAL A 21 5.011 -10.249 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.006 -10.583 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.289 -8.970 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.765 -9.157 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.858 -11.721 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.603 -10.342 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.020 -10.960 4.553 1.00 0.00 H new ATOM 189 N PHE A 22 3.674 -7.698 2.332 1.00 0.00 N ATOM 190 CA PHE A 22 2.857 -6.862 1.459 1.00 0.00 C ATOM 191 C PHE A 22 2.883 -5.428 1.917 1.00 0.00 C ATOM 192 O PHE A 22 3.218 -4.525 1.137 1.00 0.00 O ATOM 193 CB PHE A 22 1.396 -7.381 1.413 1.00 0.00 C ATOM 194 CG PHE A 22 0.372 -6.335 1.045 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.415 -5.692 -0.168 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.598 -5.969 1.950 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.501 -4.705 -0.474 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.503 -4.991 1.652 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.465 -4.354 0.447 1.00 0.00 C ATOM 0 H PHE A 22 3.152 -8.435 2.805 1.00 0.00 H new ATOM 0 HA PHE A 22 3.277 -6.914 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.337 -8.198 0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.140 -7.795 2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.172 -5.961 -0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.644 -6.462 2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.462 -4.209 -1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.256 -4.720 2.377 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.184 -3.581 0.216 1.00 0.00 H new ATOM 209 N ARG A 23 2.548 -5.216 3.182 1.00 0.00 N ATOM 210 CA ARG A 23 2.515 -3.866 3.720 1.00 0.00 C ATOM 211 C ARG A 23 3.892 -3.186 3.600 1.00 0.00 C ATOM 212 O ARG A 23 3.962 -2.014 3.372 1.00 0.00 O ATOM 213 CB ARG A 23 1.937 -3.822 5.163 1.00 0.00 C ATOM 214 CG ARG A 23 2.849 -4.343 6.270 1.00 0.00 C ATOM 215 CD ARG A 23 3.635 -3.223 6.943 1.00 0.00 C ATOM 216 NE ARG A 23 2.760 -2.318 7.709 1.00 0.00 N ATOM 217 CZ ARG A 23 3.089 -1.074 8.094 1.00 0.00 C ATOM 218 NH1 ARG A 23 4.214 -0.506 7.654 1.00 0.00 N ATOM 219 NH2 ARG A 23 2.271 -0.383 8.887 1.00 0.00 N ATOM 0 H ARG A 23 2.299 -5.950 3.845 1.00 0.00 H new ATOM 0 HA ARG A 23 1.824 -3.284 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.672 -2.790 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.013 -4.400 5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.250 -4.864 7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.544 -5.072 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.383 -3.654 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.173 -2.652 6.186 1.00 0.00 H new ATOM 0 HE ARG A 23 1.835 -2.662 7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.830 -1.017 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.458 0.439 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.394 -0.799 9.202 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.521 0.562 9.179 1.00 0.00 H new ATOM 233 N LYS A 24 4.970 -3.958 3.678 1.00 0.00 N ATOM 234 CA LYS A 24 6.325 -3.415 3.582 1.00 0.00 C ATOM 235 C LYS A 24 6.663 -2.987 2.162 1.00 0.00 C ATOM 236 O LYS A 24 7.195 -1.884 1.940 1.00 0.00 O ATOM 237 CB LYS A 24 7.338 -4.434 4.079 1.00 0.00 C ATOM 238 CG LYS A 24 7.173 -4.727 5.557 1.00 0.00 C ATOM 239 CD LYS A 24 8.082 -5.826 6.018 1.00 0.00 C ATOM 240 CE LYS A 24 9.513 -5.360 6.207 1.00 0.00 C ATOM 241 NZ LYS A 24 9.646 -4.403 7.339 1.00 0.00 N ATOM 0 H LYS A 24 4.934 -4.969 3.808 1.00 0.00 H new ATOM 0 HA LYS A 24 6.369 -2.528 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.230 -5.359 3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.346 -4.063 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.378 -3.823 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.138 -5.004 5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.709 -6.231 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.061 -6.638 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.154 -6.223 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.864 -4.887 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.643 -4.345 7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.318 -3.463 7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.070 -4.731 8.141 1.00 0.00 H new ATOM 255 N GLU A 25 6.305 -3.839 1.192 1.00 0.00 N ATOM 256 CA GLU A 25 6.556 -3.572 -0.224 1.00 0.00 C ATOM 257 C GLU A 25 5.835 -2.333 -0.581 1.00 0.00 C ATOM 258 O GLU A 25 6.386 -1.402 -1.171 1.00 0.00 O ATOM 259 CB GLU A 25 5.903 -4.606 -1.065 1.00 0.00 C ATOM 260 CG GLU A 25 6.191 -5.995 -0.726 1.00 0.00 C ATOM 261 CD GLU A 25 7.450 -6.494 -1.332 1.00 0.00 C ATOM 262 OE1 GLU A 25 8.536 -6.265 -0.752 1.00 0.00 O ATOM 263 OE2 GLU A 25 7.403 -7.090 -2.419 1.00 0.00 O ATOM 0 H GLU A 25 5.836 -4.727 1.369 1.00 0.00 H new ATOM 0 HA GLU A 25 7.634 -3.532 -0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.824 -4.458 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.197 -4.439 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.253 -6.093 0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.363 -6.622 -1.056 1.00 0.00 H new ATOM 270 N MET A 26 4.580 -2.356 -0.232 1.00 0.00 N ATOM 271 CA MET A 26 3.675 -1.290 -0.534 1.00 0.00 C ATOM 272 C MET A 26 4.020 -0.007 0.208 1.00 0.00 C ATOM 273 O MET A 26 3.816 1.056 -0.305 1.00 0.00 O ATOM 274 CB MET A 26 2.261 -1.735 -0.274 1.00 0.00 C ATOM 275 CG MET A 26 1.203 -0.711 -0.680 1.00 0.00 C ATOM 276 SD MET A 26 1.556 0.132 -2.264 1.00 0.00 S ATOM 277 CE MET A 26 1.086 -1.023 -3.542 1.00 0.00 C ATOM 0 H MET A 26 4.153 -3.129 0.278 1.00 0.00 H new ATOM 0 HA MET A 26 3.772 -1.050 -1.593 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.078 -2.664 -0.814 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.150 -1.956 0.788 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.237 -1.211 -0.753 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.116 0.038 0.107 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.946 -1.230 -4.179 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.741 -1.951 -3.085 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.284 -0.594 -4.143 1.00 0.00 H new ATOM 287 N SER A 27 4.575 -0.121 1.400 1.00 0.00 N ATOM 288 CA SER A 27 5.062 1.035 2.103 1.00 0.00 C ATOM 289 C SER A 27 6.136 1.664 1.269 1.00 0.00 C ATOM 290 O SER A 27 6.140 2.852 1.065 1.00 0.00 O ATOM 291 CB SER A 27 5.606 0.701 3.502 1.00 0.00 C ATOM 292 OG SER A 27 4.568 0.285 4.380 1.00 0.00 O ATOM 0 H SER A 27 4.697 -1.004 1.895 1.00 0.00 H new ATOM 0 HA SER A 27 4.228 1.720 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.355 -0.087 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.106 1.576 3.917 1.00 0.00 H new ATOM 0 HG SER A 27 4.195 -0.565 4.066 1.00 0.00 H new ATOM 298 N GLN A 28 6.986 0.829 0.703 1.00 0.00 N ATOM 299 CA GLN A 28 8.095 1.330 -0.131 1.00 0.00 C ATOM 300 C GLN A 28 7.534 1.970 -1.393 1.00 0.00 C ATOM 301 O GLN A 28 7.923 3.086 -1.770 1.00 0.00 O ATOM 302 CB GLN A 28 9.073 0.230 -0.529 1.00 0.00 C ATOM 303 CG GLN A 28 9.774 -0.485 0.600 1.00 0.00 C ATOM 304 CD GLN A 28 10.636 -1.610 0.079 1.00 0.00 C ATOM 305 OE1 GLN A 28 11.145 -1.552 -1.041 1.00 0.00 O ATOM 306 NE2 GLN A 28 10.803 -2.634 0.860 1.00 0.00 N ATOM 0 H GLN A 28 6.944 -0.186 0.795 1.00 0.00 H new ATOM 0 HA GLN A 28 8.641 2.060 0.467 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.533 -0.510 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.831 0.666 -1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.390 0.222 1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.036 -0.881 1.297 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.367 -2.649 1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.371 -3.423 0.552 1.00 0.00 H new ATOM 315 N PHE A 29 6.627 1.265 -2.021 1.00 0.00 N ATOM 316 CA PHE A 29 5.992 1.706 -3.239 1.00 0.00 C ATOM 317 C PHE A 29 5.234 3.030 -3.017 1.00 0.00 C ATOM 318 O PHE A 29 5.365 3.964 -3.803 1.00 0.00 O ATOM 319 CB PHE A 29 5.071 0.600 -3.765 1.00 0.00 C ATOM 320 CG PHE A 29 4.385 0.919 -5.046 1.00 0.00 C ATOM 321 CD1 PHE A 29 4.985 0.639 -6.254 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.127 1.477 -5.042 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.336 0.912 -7.429 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.481 1.755 -6.210 1.00 0.00 C ATOM 325 CZ PHE A 29 3.080 1.472 -7.398 1.00 0.00 C ATOM 0 H PHE A 29 6.303 0.354 -1.696 1.00 0.00 H new ATOM 0 HA PHE A 29 6.754 1.903 -3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.657 -0.309 -3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.317 0.384 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.972 0.202 -6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.645 1.698 -4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.808 0.689 -8.374 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.496 2.199 -6.192 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.566 1.688 -8.323 1.00 0.00 H new ATOM 335 N ILE A 30 4.462 3.101 -1.955 1.00 0.00 N ATOM 336 CA ILE A 30 3.736 4.306 -1.594 1.00 0.00 C ATOM 337 C ILE A 30 4.684 5.412 -1.245 1.00 0.00 C ATOM 338 O ILE A 30 4.492 6.538 -1.682 1.00 0.00 O ATOM 339 CB ILE A 30 2.729 4.066 -0.460 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.602 3.204 -0.990 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.193 5.391 0.095 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.695 2.670 0.062 1.00 0.00 C ATOM 0 H ILE A 30 4.317 2.322 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 30 3.159 4.606 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 30 3.226 3.554 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.014 3.789 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.029 2.368 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.482 5.189 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.021 5.984 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.694 5.944 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.083 2.064 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.267 2.056 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.236 3.498 0.602 1.00 0.00 H new ATOM 354 N VAL A 31 5.705 5.104 -0.472 1.00 0.00 N ATOM 355 CA VAL A 31 6.750 6.085 -0.182 1.00 0.00 C ATOM 356 C VAL A 31 7.311 6.657 -1.486 1.00 0.00 C ATOM 357 O VAL A 31 7.406 7.871 -1.647 1.00 0.00 O ATOM 358 CB VAL A 31 7.867 5.462 0.710 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.165 6.277 0.691 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.355 5.360 2.144 1.00 0.00 C ATOM 0 H VAL A 31 5.840 4.193 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 31 6.314 6.909 0.384 1.00 0.00 H new ATOM 0 HB VAL A 31 8.101 4.477 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.906 5.796 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.545 6.332 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.968 7.284 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.129 4.925 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.102 6.354 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.468 4.727 2.169 1.00 0.00 H new ATOM 370 N GLN A 32 7.592 5.778 -2.428 1.00 0.00 N ATOM 371 CA GLN A 32 8.092 6.138 -3.748 1.00 0.00 C ATOM 372 C GLN A 32 7.092 7.070 -4.449 1.00 0.00 C ATOM 373 O GLN A 32 7.463 8.074 -5.037 1.00 0.00 O ATOM 374 CB GLN A 32 8.237 4.865 -4.567 1.00 0.00 C ATOM 375 CG GLN A 32 8.853 5.045 -5.927 1.00 0.00 C ATOM 376 CD GLN A 32 8.734 3.788 -6.768 1.00 0.00 C ATOM 377 OE1 GLN A 32 7.757 3.610 -7.498 1.00 0.00 O ATOM 378 NE2 GLN A 32 9.689 2.914 -6.670 1.00 0.00 N ATOM 0 H GLN A 32 7.478 4.773 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 32 9.051 6.648 -3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.843 4.156 -4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.251 4.416 -4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.366 5.874 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.904 5.312 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.484 3.093 -6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.645 2.048 -7.207 1.00 0.00 H new ATOM 387 N CYS A 33 5.833 6.707 -4.357 1.00 0.00 N ATOM 388 CA CYS A 33 4.735 7.449 -4.948 1.00 0.00 C ATOM 389 C CYS A 33 4.529 8.810 -4.298 1.00 0.00 C ATOM 390 O CYS A 33 4.145 9.753 -4.966 1.00 0.00 O ATOM 391 CB CYS A 33 3.466 6.628 -4.843 1.00 0.00 C ATOM 392 SG CYS A 33 3.512 5.097 -5.788 1.00 0.00 S ATOM 0 H CYS A 33 5.534 5.869 -3.858 1.00 0.00 H new ATOM 0 HA CYS A 33 4.985 7.633 -5.993 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.283 6.392 -3.795 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.625 7.231 -5.186 1.00 0.00 H new ATOM 0 HG CYS A 33 4.297 4.246 -5.197 1.00 0.00 H new ATOM 398 N LEU A 34 4.752 8.887 -3.006 1.00 0.00 N ATOM 399 CA LEU A 34 4.619 10.137 -2.257 1.00 0.00 C ATOM 400 C LEU A 34 5.836 11.037 -2.407 1.00 0.00 C ATOM 401 O LEU A 34 5.761 12.236 -2.134 1.00 0.00 O ATOM 402 CB LEU A 34 4.354 9.884 -0.786 1.00 0.00 C ATOM 403 CG LEU A 34 3.063 9.175 -0.432 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.944 9.072 1.066 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.867 9.906 -1.002 1.00 0.00 C ATOM 0 H LEU A 34 5.032 8.089 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 34 3.761 10.652 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.182 9.298 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.366 10.844 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 34 3.082 8.176 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.016 8.562 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.789 8.508 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.941 10.072 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.954 9.375 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.832 10.917 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.953 9.953 -2.088 1.00 0.00 H new ATOM 417 N ASN A 35 6.969 10.449 -2.769 1.00 0.00 N ATOM 418 CA ASN A 35 8.182 11.207 -3.085 1.00 0.00 C ATOM 419 C ASN A 35 8.006 12.498 -3.882 1.00 0.00 C ATOM 420 O ASN A 35 8.516 13.519 -3.462 1.00 0.00 O ATOM 421 CB ASN A 35 9.241 10.346 -3.687 1.00 0.00 C ATOM 422 CG ASN A 35 10.146 10.025 -2.608 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.182 10.664 -2.430 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.730 9.147 -1.804 1.00 0.00 N ATOM 0 H ASN A 35 7.077 9.438 -2.853 1.00 0.00 H new ATOM 0 HA ASN A 35 8.505 11.552 -2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.812 9.442 -4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.760 10.868 -4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.260 8.938 -0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.863 8.646 -2.000 1.00 0.00 H new ATOM 431 N PRO A 36 7.284 12.509 -5.029 1.00 0.00 N ATOM 432 CA PRO A 36 7.083 13.747 -5.799 1.00 0.00 C ATOM 433 C PRO A 36 6.227 14.765 -5.051 1.00 0.00 C ATOM 434 O PRO A 36 6.294 15.962 -5.321 1.00 0.00 O ATOM 435 CB PRO A 36 6.365 13.279 -7.071 1.00 0.00 C ATOM 436 CG PRO A 36 5.727 11.996 -6.693 1.00 0.00 C ATOM 437 CD PRO A 36 6.650 11.355 -5.701 1.00 0.00 C ATOM 0 HA PRO A 36 8.028 14.254 -5.994 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.624 14.008 -7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.066 13.145 -7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.741 12.163 -6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.587 11.358 -7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.107 10.727 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.388 10.720 -6.191 1.00 0.00 H new ATOM 445 N TYR A 37 5.486 14.295 -4.076 1.00 0.00 N ATOM 446 CA TYR A 37 4.584 15.139 -3.349 1.00 0.00 C ATOM 447 C TYR A 37 5.293 15.848 -2.238 1.00 0.00 C ATOM 448 O TYR A 37 4.911 16.929 -1.857 1.00 0.00 O ATOM 449 CB TYR A 37 3.408 14.345 -2.791 1.00 0.00 C ATOM 450 CG TYR A 37 2.518 13.727 -3.835 1.00 0.00 C ATOM 451 CD1 TYR A 37 2.813 12.501 -4.371 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.371 14.367 -4.263 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.007 11.915 -5.305 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.545 13.806 -5.200 1.00 0.00 C ATOM 455 CZ TYR A 37 0.868 12.570 -5.724 1.00 0.00 C ATOM 456 OH TYR A 37 0.045 11.980 -6.656 1.00 0.00 O ATOM 0 H TYR A 37 5.495 13.322 -3.770 1.00 0.00 H new ATOM 0 HA TYR A 37 4.198 15.880 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.793 13.555 -2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.807 15.003 -2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.705 11.985 -4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.120 15.332 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.259 10.947 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.346 14.323 -5.524 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.274 12.659 -7.287 1.00 0.00 H new ATOM 466 N ARG A 38 6.353 15.258 -1.735 1.00 0.00 N ATOM 467 CA ARG A 38 7.064 15.857 -0.600 1.00 0.00 C ATOM 468 C ARG A 38 8.047 16.913 -1.065 1.00 0.00 C ATOM 469 O ARG A 38 8.677 17.593 -0.259 1.00 0.00 O ATOM 470 CB ARG A 38 7.787 14.802 0.236 1.00 0.00 C ATOM 471 CG ARG A 38 8.920 14.103 -0.492 1.00 0.00 C ATOM 472 CD ARG A 38 9.648 13.144 0.419 1.00 0.00 C ATOM 473 NE ARG A 38 10.794 12.496 -0.247 1.00 0.00 N ATOM 474 CZ ARG A 38 12.088 12.630 0.113 1.00 0.00 C ATOM 475 NH1 ARG A 38 12.433 13.442 1.109 1.00 0.00 N ATOM 476 NH2 ARG A 38 13.022 11.950 -0.536 1.00 0.00 N ATOM 0 H ARG A 38 6.746 14.381 -2.077 1.00 0.00 H new ATOM 0 HA ARG A 38 6.312 16.332 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.184 15.275 1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.064 14.055 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.524 13.562 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.620 14.845 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.999 13.680 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.953 12.379 0.767 1.00 0.00 H new ATOM 0 HE ARG A 38 10.591 11.896 -1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.717 13.970 1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.414 13.536 1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.761 11.330 -1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.002 12.047 -0.269 1.00 0.00 H new ATOM 490 N LYS A 39 8.183 17.031 -2.352 1.00 0.00 N ATOM 491 CA LYS A 39 9.081 17.999 -2.928 1.00 0.00 C ATOM 492 C LYS A 39 8.387 19.338 -3.042 1.00 0.00 C ATOM 493 O LYS A 39 7.185 19.395 -3.274 1.00 0.00 O ATOM 494 CB LYS A 39 9.541 17.515 -4.283 1.00 0.00 C ATOM 495 CG LYS A 39 10.171 16.162 -4.173 1.00 0.00 C ATOM 496 CD LYS A 39 10.674 15.635 -5.471 1.00 0.00 C ATOM 497 CE LYS A 39 11.180 14.238 -5.244 1.00 0.00 C ATOM 498 NZ LYS A 39 11.708 13.605 -6.463 1.00 0.00 N ATOM 0 H LYS A 39 7.679 16.464 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 39 9.953 18.119 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.693 17.473 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.256 18.222 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.998 16.211 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.442 15.463 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.878 15.635 -6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.471 16.271 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.963 14.261 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.370 13.626 -4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.040 12.645 -6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.957 13.553 -7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.500 14.169 -6.832 1.00 0.00 H new ATOM 512 N PRO A 40 9.132 20.443 -2.942 1.00 0.00 N ATOM 513 CA PRO A 40 8.551 21.786 -2.971 1.00 0.00 C ATOM 514 C PRO A 40 8.026 22.179 -4.352 1.00 0.00 C ATOM 515 O PRO A 40 7.401 23.225 -4.518 1.00 0.00 O ATOM 516 CB PRO A 40 9.698 22.694 -2.538 1.00 0.00 C ATOM 517 CG PRO A 40 10.941 21.945 -2.876 1.00 0.00 C ATOM 518 CD PRO A 40 10.604 20.479 -2.795 1.00 0.00 C ATOM 0 HA PRO A 40 7.679 21.857 -2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.661 23.650 -3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.647 22.911 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.290 22.206 -3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.744 22.196 -2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.098 19.911 -3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.921 20.048 -1.845 1.00 0.00 H new ATOM 526 N ASP A 41 8.226 21.310 -5.324 1.00 0.00 N ATOM 527 CA ASP A 41 7.793 21.556 -6.694 1.00 0.00 C ATOM 528 C ASP A 41 6.438 20.895 -6.926 1.00 0.00 C ATOM 529 O ASP A 41 5.813 21.052 -7.972 1.00 0.00 O ATOM 530 CB ASP A 41 8.854 21.043 -7.692 1.00 0.00 C ATOM 531 CG ASP A 41 8.479 21.249 -9.153 1.00 0.00 C ATOM 532 OD1 ASP A 41 8.542 22.394 -9.650 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.135 20.254 -9.840 1.00 0.00 O ATOM 0 H ASP A 41 8.693 20.413 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 41 7.683 22.628 -6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.799 21.550 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.020 19.980 -7.516 1.00 0.00 H new ATOM 538 N CYS A 42 5.987 20.169 -5.918 1.00 0.00 N ATOM 539 CA CYS A 42 4.702 19.510 -5.960 1.00 0.00 C ATOM 540 C CYS A 42 3.592 20.544 -6.066 1.00 0.00 C ATOM 541 O CYS A 42 3.533 21.504 -5.271 1.00 0.00 O ATOM 542 CB CYS A 42 4.490 18.646 -4.727 1.00 0.00 C ATOM 543 SG CYS A 42 2.933 17.753 -4.709 1.00 0.00 S ATOM 0 H CYS A 42 6.503 20.022 -5.051 1.00 0.00 H new ATOM 0 HA CYS A 42 4.679 18.863 -6.837 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.308 17.929 -4.656 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.543 19.279 -3.841 1.00 0.00 H new ATOM 0 HG CYS A 42 1.979 18.551 -4.330 1.00 0.00 H new ATOM 549 N LYS A 43 2.754 20.377 -7.057 1.00 0.00 N ATOM 550 CA LYS A 43 1.665 21.278 -7.298 1.00 0.00 C ATOM 551 C LYS A 43 0.428 20.864 -6.543 1.00 0.00 C ATOM 552 O LYS A 43 -0.316 21.711 -6.037 1.00 0.00 O ATOM 553 CB LYS A 43 1.362 21.328 -8.771 1.00 0.00 C ATOM 554 CG LYS A 43 2.488 21.915 -9.586 1.00 0.00 C ATOM 555 CD LYS A 43 2.177 21.878 -11.055 1.00 0.00 C ATOM 556 CE LYS A 43 0.951 22.709 -11.408 1.00 0.00 C ATOM 557 NZ LYS A 43 0.647 22.660 -12.848 1.00 0.00 N ATOM 0 H LYS A 43 2.812 19.606 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 43 1.963 22.266 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.151 20.320 -9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.460 21.918 -8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.666 22.945 -9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.407 21.361 -9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.036 22.246 -11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.014 20.845 -11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.092 22.346 -10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.116 23.744 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.194 23.239 -13.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.456 23.030 -13.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.464 21.676 -13.131 1.00 0.00 H new ATOM 571 N VAL A 44 0.235 19.573 -6.424 1.00 0.00 N ATOM 572 CA VAL A 44 -0.963 19.045 -5.823 1.00 0.00 C ATOM 573 C VAL A 44 -0.643 18.026 -4.745 1.00 0.00 C ATOM 574 O VAL A 44 0.002 17.017 -5.005 1.00 0.00 O ATOM 575 CB VAL A 44 -1.941 18.456 -6.895 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.295 17.372 -7.753 1.00 0.00 C ATOM 577 CG2 VAL A 44 -3.229 17.964 -6.260 1.00 0.00 C ATOM 0 H VAL A 44 0.898 18.865 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.475 19.879 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.189 19.276 -7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.020 17.001 -8.478 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.436 17.788 -8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.967 16.551 -7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.885 17.562 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.002 17.183 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.727 18.793 -5.757 1.00 0.00 H new ATOM 587 N GLY A 45 -1.106 18.302 -3.551 1.00 0.00 N ATOM 588 CA GLY A 45 -0.861 17.434 -2.425 1.00 0.00 C ATOM 589 C GLY A 45 0.596 17.471 -1.978 1.00 0.00 C ATOM 590 O GLY A 45 1.213 16.442 -1.813 1.00 0.00 O ATOM 0 H GLY A 45 -1.660 19.130 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.502 17.729 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.133 16.412 -2.690 1.00 0.00 H new ATOM 594 N ARG A 46 1.166 18.651 -1.803 1.00 0.00 N ATOM 595 CA ARG A 46 2.536 18.737 -1.360 1.00 0.00 C ATOM 596 C ARG A 46 2.670 18.378 0.111 1.00 0.00 C ATOM 597 O ARG A 46 2.063 19.010 0.979 1.00 0.00 O ATOM 598 CB ARG A 46 3.127 20.116 -1.615 1.00 0.00 C ATOM 599 CG ARG A 46 4.573 20.215 -1.168 1.00 0.00 C ATOM 600 CD ARG A 46 5.182 21.547 -1.503 1.00 0.00 C ATOM 601 NE ARG A 46 4.459 22.662 -0.906 1.00 0.00 N ATOM 602 CZ ARG A 46 4.762 23.247 0.257 1.00 0.00 C ATOM 603 NH1 ARG A 46 5.743 22.764 1.019 1.00 0.00 N ATOM 604 NH2 ARG A 46 4.062 24.293 0.661 1.00 0.00 N ATOM 0 H ARG A 46 0.705 19.547 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 46 3.099 18.011 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.061 20.346 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.535 20.865 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.631 20.052 -0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.153 19.423 -1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.217 21.565 -1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.202 21.671 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 46 3.655 23.026 -1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.267 21.943 0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.969 23.215 1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.297 24.648 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.286 24.745 1.547 1.00 0.00 H new ATOM 618 N ILE A 47 3.453 17.375 0.380 1.00 0.00 N ATOM 619 CA ILE A 47 3.711 16.946 1.722 1.00 0.00 C ATOM 620 C ILE A 47 4.702 17.880 2.363 1.00 0.00 C ATOM 621 O ILE A 47 5.812 18.085 1.857 1.00 0.00 O ATOM 622 CB ILE A 47 4.222 15.484 1.799 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.243 14.563 1.060 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.396 15.070 3.247 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.639 13.111 1.028 1.00 0.00 C ATOM 0 H ILE A 47 3.935 16.827 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 47 2.765 16.973 2.262 1.00 0.00 H new ATOM 0 HB ILE A 47 5.196 15.405 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.263 14.647 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.136 14.918 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.755 14.042 3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.119 15.728 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.439 15.142 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.886 12.540 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.603 13.008 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.716 12.732 2.047 1.00 0.00 H new ATOM 637 N THR A 48 4.272 18.460 3.436 1.00 0.00 N ATOM 638 CA THR A 48 5.034 19.393 4.202 1.00 0.00 C ATOM 639 C THR A 48 6.307 18.817 4.767 1.00 0.00 C ATOM 640 O THR A 48 7.413 19.248 4.432 1.00 0.00 O ATOM 641 CB THR A 48 4.167 19.894 5.353 1.00 0.00 C ATOM 642 OG1 THR A 48 3.418 18.771 5.909 1.00 0.00 O ATOM 643 CG2 THR A 48 3.212 20.897 4.845 1.00 0.00 C ATOM 0 H THR A 48 3.342 18.290 3.819 1.00 0.00 H new ATOM 0 HA THR A 48 5.327 20.198 3.528 1.00 0.00 H new ATOM 0 HB THR A 48 4.800 20.340 6.120 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.770 18.550 6.797 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.591 21.257 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.760 21.733 4.411 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.579 20.443 4.083 1.00 0.00 H new ATOM 651 N THR A 49 6.159 17.839 5.594 1.00 0.00 N ATOM 652 CA THR A 49 7.279 17.375 6.340 1.00 0.00 C ATOM 653 C THR A 49 7.290 15.860 6.410 1.00 0.00 C ATOM 654 O THR A 49 6.310 15.203 6.042 1.00 0.00 O ATOM 655 CB THR A 49 7.271 18.003 7.758 1.00 0.00 C ATOM 656 OG1 THR A 49 6.511 19.233 7.722 1.00 0.00 O ATOM 657 CG2 THR A 49 8.685 18.377 8.160 1.00 0.00 C ATOM 0 H THR A 49 5.282 17.349 5.770 1.00 0.00 H new ATOM 0 HA THR A 49 8.192 17.687 5.832 1.00 0.00 H new ATOM 0 HB THR A 49 6.844 17.285 8.458 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.499 19.636 8.615 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.675 18.818 9.157 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.310 17.484 8.164 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.087 19.098 7.448 1.00 0.00 H new ATOM 665 N THR A 50 8.384 15.330 6.875 1.00 0.00 N ATOM 666 CA THR A 50 8.632 13.921 6.950 1.00 0.00 C ATOM 667 C THR A 50 7.606 13.176 7.797 1.00 0.00 C ATOM 668 O THR A 50 7.123 12.132 7.389 1.00 0.00 O ATOM 669 CB THR A 50 10.058 13.689 7.467 1.00 0.00 C ATOM 670 OG1 THR A 50 10.430 12.318 7.389 1.00 0.00 O ATOM 671 CG2 THR A 50 10.246 14.195 8.879 1.00 0.00 C ATOM 0 H THR A 50 9.159 15.892 7.227 1.00 0.00 H new ATOM 0 HA THR A 50 8.532 13.510 5.945 1.00 0.00 H new ATOM 0 HB THR A 50 10.713 14.265 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.344 12.207 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.271 14.008 9.199 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.046 15.266 8.911 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.557 13.677 9.546 1.00 0.00 H new ATOM 679 N GLU A 51 7.251 13.720 8.947 1.00 0.00 N ATOM 680 CA GLU A 51 6.275 13.094 9.807 1.00 0.00 C ATOM 681 C GLU A 51 4.935 12.986 9.118 1.00 0.00 C ATOM 682 O GLU A 51 4.215 11.982 9.275 1.00 0.00 O ATOM 683 CB GLU A 51 6.158 13.771 11.184 1.00 0.00 C ATOM 684 CG GLU A 51 5.993 15.287 11.176 1.00 0.00 C ATOM 685 CD GLU A 51 7.316 16.007 11.122 1.00 0.00 C ATOM 686 OE1 GLU A 51 7.940 16.044 10.065 1.00 0.00 O ATOM 687 OE2 GLU A 51 7.754 16.541 12.164 1.00 0.00 O ATOM 0 H GLU A 51 7.628 14.598 9.304 1.00 0.00 H new ATOM 0 HA GLU A 51 6.636 12.085 10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.307 13.336 11.708 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.048 13.526 11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.388 15.580 10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.450 15.596 12.069 1.00 0.00 H new ATOM 694 N ASP A 52 4.630 13.969 8.295 1.00 0.00 N ATOM 695 CA ASP A 52 3.398 13.990 7.532 1.00 0.00 C ATOM 696 C ASP A 52 3.474 12.984 6.434 1.00 0.00 C ATOM 697 O ASP A 52 2.522 12.232 6.192 1.00 0.00 O ATOM 698 CB ASP A 52 3.161 15.381 6.933 1.00 0.00 C ATOM 699 CG ASP A 52 2.675 16.389 7.934 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.477 16.379 8.268 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.482 17.221 8.397 1.00 0.00 O ATOM 0 H ASP A 52 5.231 14.778 8.136 1.00 0.00 H new ATOM 0 HA ASP A 52 2.570 13.748 8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.090 15.740 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.432 15.301 6.126 1.00 0.00 H new ATOM 706 N PHE A 53 4.628 12.945 5.800 1.00 0.00 N ATOM 707 CA PHE A 53 4.931 12.013 4.749 1.00 0.00 C ATOM 708 C PHE A 53 4.736 10.573 5.263 1.00 0.00 C ATOM 709 O PHE A 53 4.033 9.771 4.650 1.00 0.00 O ATOM 710 CB PHE A 53 6.375 12.238 4.270 1.00 0.00 C ATOM 711 CG PHE A 53 6.853 11.267 3.251 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.464 10.090 3.636 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.688 11.522 1.916 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.893 9.189 2.703 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.118 10.628 0.972 1.00 0.00 C ATOM 716 CZ PHE A 53 7.718 9.461 1.359 1.00 0.00 C ATOM 0 H PHE A 53 5.397 13.580 6.012 1.00 0.00 H new ATOM 0 HA PHE A 53 4.258 12.169 3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.453 13.244 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.040 12.195 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.604 9.879 4.686 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.213 12.440 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.366 8.269 3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.984 10.844 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.054 8.753 0.616 1.00 0.00 H new ATOM 726 N LYS A 54 5.324 10.300 6.403 1.00 0.00 N ATOM 727 CA LYS A 54 5.262 9.002 7.032 1.00 0.00 C ATOM 728 C LYS A 54 3.853 8.645 7.433 1.00 0.00 C ATOM 729 O LYS A 54 3.409 7.517 7.201 1.00 0.00 O ATOM 730 CB LYS A 54 6.182 8.970 8.249 1.00 0.00 C ATOM 731 CG LYS A 54 7.651 9.116 7.873 1.00 0.00 C ATOM 732 CD LYS A 54 8.566 9.082 9.078 1.00 0.00 C ATOM 733 CE LYS A 54 8.484 7.747 9.802 1.00 0.00 C ATOM 734 NZ LYS A 54 9.443 7.644 10.915 1.00 0.00 N ATOM 0 H LYS A 54 5.868 10.984 6.928 1.00 0.00 H new ATOM 0 HA LYS A 54 5.596 8.260 6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.904 9.772 8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.039 8.031 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.928 8.315 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.794 10.055 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.593 9.263 8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.297 9.886 9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.473 7.608 10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.670 6.941 9.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.345 6.716 11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.411 7.749 10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.251 8.395 11.609 1.00 0.00 H new ATOM 748 N HIS A 55 3.122 9.630 7.955 1.00 0.00 N ATOM 749 CA HIS A 55 1.736 9.448 8.399 1.00 0.00 C ATOM 750 C HIS A 55 0.878 9.003 7.230 1.00 0.00 C ATOM 751 O HIS A 55 0.156 8.001 7.306 1.00 0.00 O ATOM 752 CB HIS A 55 1.193 10.768 8.985 1.00 0.00 C ATOM 753 CG HIS A 55 -0.261 10.750 9.405 1.00 0.00 C ATOM 754 ND1 HIS A 55 -1.375 11.156 8.748 1.00 0.00 N flip ATOM 755 CD2 HIS A 55 -0.695 10.280 10.618 1.00 0.00 C flip ATOM 756 CE1 HIS A 55 -2.442 10.924 9.577 1.00 0.00 C flip ATOM 757 NE2 HIS A 55 -1.998 10.396 10.703 1.00 0.00 N flip ATOM 0 H HIS A 55 3.473 10.579 8.083 1.00 0.00 H new ATOM 0 HA HIS A 55 1.705 8.682 9.174 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.799 11.036 9.850 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.329 11.556 8.244 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.412 11.559 7.812 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.057 9.874 11.389 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -3.475 11.138 9.347 1.00 0.00 H new ATOM 765 N LEU A 56 0.977 9.720 6.159 1.00 0.00 N ATOM 766 CA LEU A 56 0.180 9.429 5.018 1.00 0.00 C ATOM 767 C LEU A 56 0.611 8.163 4.346 1.00 0.00 C ATOM 768 O LEU A 56 -0.243 7.378 3.949 1.00 0.00 O ATOM 769 CB LEU A 56 0.207 10.528 4.030 1.00 0.00 C ATOM 770 CG LEU A 56 -0.944 10.480 3.046 1.00 0.00 C ATOM 771 CD1 LEU A 56 -2.283 10.774 3.712 1.00 0.00 C ATOM 772 CD2 LEU A 56 -0.687 11.377 1.896 1.00 0.00 C ATOM 0 H LEU A 56 1.606 10.516 6.052 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.838 9.309 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.185 11.482 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.147 10.490 3.480 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.011 9.461 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.078 10.728 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.472 10.035 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.258 11.769 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.526 11.328 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.571 12.401 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.225 11.064 1.387 1.00 0.00 H new ATOM 784 N ALA A 57 1.929 7.935 4.233 1.00 0.00 N ATOM 785 CA ALA A 57 2.433 6.685 3.625 1.00 0.00 C ATOM 786 C ALA A 57 1.813 5.494 4.351 1.00 0.00 C ATOM 787 O ALA A 57 1.304 4.556 3.713 1.00 0.00 O ATOM 788 CB ALA A 57 3.952 6.613 3.629 1.00 0.00 C ATOM 0 H ALA A 57 2.654 8.581 4.546 1.00 0.00 H new ATOM 0 HA ALA A 57 2.136 6.664 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.273 5.677 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.357 7.451 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.316 6.659 4.655 1.00 0.00 H new ATOM 794 N ARG A 58 1.752 5.604 5.675 1.00 0.00 N ATOM 795 CA ARG A 58 1.147 4.563 6.517 1.00 0.00 C ATOM 796 C ARG A 58 -0.326 4.432 6.215 1.00 0.00 C ATOM 797 O ARG A 58 -0.841 3.314 6.011 1.00 0.00 O ATOM 798 CB ARG A 58 1.287 4.898 7.993 1.00 0.00 C ATOM 799 CG ARG A 58 2.689 4.863 8.526 1.00 0.00 C ATOM 800 CD ARG A 58 2.718 5.427 9.921 1.00 0.00 C ATOM 801 NE ARG A 58 4.064 5.412 10.491 1.00 0.00 N ATOM 802 CZ ARG A 58 4.515 6.248 11.430 1.00 0.00 C ATOM 803 NH1 ARG A 58 3.733 7.225 11.890 1.00 0.00 N ATOM 804 NH2 ARG A 58 5.754 6.109 11.900 1.00 0.00 N ATOM 0 H ARG A 58 2.114 6.404 6.194 1.00 0.00 H new ATOM 0 HA ARG A 58 1.669 3.632 6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.875 5.893 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.680 4.198 8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.061 3.838 8.530 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.349 5.439 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.342 6.450 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.048 4.851 10.559 1.00 0.00 H new ATOM 0 HE ARG A 58 4.712 4.705 10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.787 7.336 11.525 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.081 7.862 12.607 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.355 5.366 11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.102 6.746 12.617 1.00 0.00 H new ATOM 818 N LYS A 59 -1.000 5.576 6.130 1.00 0.00 N ATOM 819 CA LYS A 59 -2.434 5.594 5.965 1.00 0.00 C ATOM 820 C LYS A 59 -2.840 4.958 4.638 1.00 0.00 C ATOM 821 O LYS A 59 -3.783 4.166 4.570 1.00 0.00 O ATOM 822 CB LYS A 59 -2.948 7.034 6.083 1.00 0.00 C ATOM 823 CG LYS A 59 -4.452 7.178 5.994 1.00 0.00 C ATOM 824 CD LYS A 59 -4.885 8.584 6.356 1.00 0.00 C ATOM 825 CE LYS A 59 -6.396 8.713 6.348 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.957 8.524 5.002 1.00 0.00 N ATOM 0 H LYS A 59 -0.567 6.499 6.174 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.891 4.999 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.613 7.448 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.492 7.634 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.785 6.940 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.930 6.463 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.501 8.843 7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.453 9.293 5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.826 7.977 7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.678 9.697 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.760 9.171 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.226 8.726 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.282 7.542 4.896 1.00 0.00 H new ATOM 840 N LEU A 60 -2.098 5.276 3.606 1.00 0.00 N ATOM 841 CA LEU A 60 -2.375 4.780 2.271 1.00 0.00 C ATOM 842 C LEU A 60 -2.093 3.314 2.163 1.00 0.00 C ATOM 843 O LEU A 60 -2.884 2.571 1.576 1.00 0.00 O ATOM 844 CB LEU A 60 -1.569 5.577 1.289 1.00 0.00 C ATOM 845 CG LEU A 60 -1.871 7.041 1.392 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.788 7.896 0.781 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.196 7.325 0.771 1.00 0.00 C ATOM 0 H LEU A 60 -1.283 5.886 3.663 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.435 4.903 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.507 5.410 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.780 5.231 0.277 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.907 7.302 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.055 8.948 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.155 7.710 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.681 7.648 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.413 8.390 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.176 7.033 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.970 6.759 1.290 1.00 0.00 H new ATOM 859 N THR A 61 -0.976 2.888 2.772 1.00 0.00 N ATOM 860 CA THR A 61 -0.597 1.484 2.768 1.00 0.00 C ATOM 861 C THR A 61 -1.702 0.687 3.399 1.00 0.00 C ATOM 862 O THR A 61 -2.114 -0.362 2.903 1.00 0.00 O ATOM 863 CB THR A 61 0.726 1.246 3.562 1.00 0.00 C ATOM 864 OG1 THR A 61 1.777 2.078 3.039 1.00 0.00 O ATOM 865 CG2 THR A 61 1.167 -0.213 3.470 1.00 0.00 C ATOM 0 H THR A 61 -0.328 3.499 3.269 1.00 0.00 H new ATOM 0 HA THR A 61 -0.432 1.172 1.737 1.00 0.00 H new ATOM 0 HB THR A 61 0.534 1.498 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.787 2.932 3.519 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.091 -0.350 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.390 -0.855 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.335 -0.477 2.426 1.00 0.00 H new ATOM 873 N HIS A 62 -2.235 1.245 4.448 1.00 0.00 N ATOM 874 CA HIS A 62 -3.254 0.571 5.203 1.00 0.00 C ATOM 875 C HIS A 62 -4.608 0.588 4.466 1.00 0.00 C ATOM 876 O HIS A 62 -5.366 -0.372 4.552 1.00 0.00 O ATOM 877 CB HIS A 62 -3.337 1.154 6.622 1.00 0.00 C ATOM 878 CG HIS A 62 -4.284 0.453 7.551 1.00 0.00 C ATOM 879 ND1 HIS A 62 -4.015 -0.770 8.131 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.507 0.812 7.991 1.00 0.00 C ATOM 881 CE1 HIS A 62 -5.030 -1.138 8.878 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.957 -0.194 8.815 1.00 0.00 N ATOM 0 H HIS A 62 -1.981 2.167 4.801 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.982 -0.480 5.301 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.341 1.135 7.063 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.633 2.200 6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.035 1.721 7.743 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.098 -2.054 9.447 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.856 -0.210 9.297 1.00 0.00 H new ATOM 890 N GLY A 63 -4.891 1.641 3.727 1.00 0.00 N ATOM 891 CA GLY A 63 -6.156 1.710 3.018 1.00 0.00 C ATOM 892 C GLY A 63 -6.208 0.810 1.806 1.00 0.00 C ATOM 893 O GLY A 63 -7.232 0.173 1.565 1.00 0.00 O ATOM 0 H GLY A 63 -4.278 2.446 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.962 1.438 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.335 2.739 2.706 1.00 0.00 H new ATOM 897 N VAL A 64 -5.092 0.712 1.062 1.00 0.00 N ATOM 898 CA VAL A 64 -5.028 -0.192 -0.116 1.00 0.00 C ATOM 899 C VAL A 64 -5.235 -1.605 0.385 1.00 0.00 C ATOM 900 O VAL A 64 -6.046 -2.367 -0.157 1.00 0.00 O ATOM 901 CB VAL A 64 -3.649 -0.104 -0.867 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.541 -1.146 -2.007 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.436 1.295 -1.426 1.00 0.00 C ATOM 0 H VAL A 64 -4.234 1.233 1.244 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.797 0.105 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.871 -0.326 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.573 -1.049 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.639 -2.150 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.335 -0.974 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.477 1.338 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.237 1.533 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.442 2.018 -0.610 1.00 0.00 H new ATOM 913 N MET A 65 -4.611 -1.843 1.513 1.00 0.00 N ATOM 914 CA MET A 65 -4.611 -3.114 2.195 1.00 0.00 C ATOM 915 C MET A 65 -6.019 -3.502 2.599 1.00 0.00 C ATOM 916 O MET A 65 -6.474 -4.593 2.292 1.00 0.00 O ATOM 917 CB MET A 65 -3.693 -3.034 3.401 1.00 0.00 C ATOM 918 CG MET A 65 -3.713 -4.214 4.314 1.00 0.00 C ATOM 919 SD MET A 65 -2.494 -4.017 5.608 1.00 0.00 S ATOM 920 CE MET A 65 -2.994 -5.325 6.674 1.00 0.00 C ATOM 0 H MET A 65 -4.069 -1.129 2.000 1.00 0.00 H new ATOM 0 HA MET A 65 -4.241 -3.888 1.523 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.672 -2.890 3.047 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.959 -2.148 3.978 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.704 -4.326 4.753 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.510 -5.124 3.749 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.340 -5.355 7.545 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.021 -5.158 6.998 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.931 -6.273 6.140 1.00 0.00 H new ATOM 930 N ASN A 66 -6.709 -2.590 3.252 1.00 0.00 N ATOM 931 CA ASN A 66 -8.066 -2.806 3.690 1.00 0.00 C ATOM 932 C ASN A 66 -9.003 -3.046 2.535 1.00 0.00 C ATOM 933 O ASN A 66 -9.780 -4.010 2.554 1.00 0.00 O ATOM 934 CB ASN A 66 -8.535 -1.637 4.522 1.00 0.00 C ATOM 935 CG ASN A 66 -7.981 -1.650 5.903 1.00 0.00 C ATOM 936 OD1 ASN A 66 -7.680 -2.701 6.468 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.866 -0.512 6.475 1.00 0.00 N ATOM 0 H ASN A 66 -6.338 -1.671 3.494 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.076 -3.708 4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.247 -0.708 4.029 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.624 -1.647 4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.515 -0.455 7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.125 0.339 5.975 1.00 0.00 H new ATOM 944 N LYS A 67 -8.904 -2.219 1.513 1.00 0.00 N ATOM 945 CA LYS A 67 -9.789 -2.328 0.376 1.00 0.00 C ATOM 946 C LYS A 67 -9.645 -3.671 -0.304 1.00 0.00 C ATOM 947 O LYS A 67 -10.650 -4.336 -0.607 1.00 0.00 O ATOM 948 CB LYS A 67 -9.587 -1.185 -0.618 1.00 0.00 C ATOM 949 CG LYS A 67 -9.925 0.188 -0.050 1.00 0.00 C ATOM 950 CD LYS A 67 -9.754 1.298 -1.082 1.00 0.00 C ATOM 951 CE LYS A 67 -10.712 1.124 -2.252 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.587 2.206 -3.249 1.00 0.00 N ATOM 0 H LYS A 67 -8.219 -1.466 1.449 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.808 -2.250 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.549 -1.185 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.205 -1.367 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.953 0.186 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.285 0.391 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.927 2.265 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.727 1.301 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.521 0.165 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.736 1.095 -1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.260 2.042 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.795 3.120 -2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.618 2.219 -3.627 1.00 0.00 H new ATOM 966 N GLU A 68 -8.428 -4.120 -0.488 1.00 0.00 N ATOM 967 CA GLU A 68 -8.257 -5.352 -1.130 1.00 0.00 C ATOM 968 C GLU A 68 -8.530 -6.506 -0.240 1.00 0.00 C ATOM 969 O GLU A 68 -9.079 -7.460 -0.686 1.00 0.00 O ATOM 970 CB GLU A 68 -6.989 -5.445 -1.876 1.00 0.00 C ATOM 971 CG GLU A 68 -5.724 -5.218 -1.112 1.00 0.00 C ATOM 972 CD GLU A 68 -4.603 -5.195 -2.075 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.579 -4.257 -2.924 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.814 -6.149 -2.096 1.00 0.00 O ATOM 0 H GLU A 68 -7.572 -3.646 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.028 -5.406 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.936 -6.435 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.024 -4.723 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.774 -4.277 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.577 -6.008 -0.376 1.00 0.00 H new ATOM 981 N LEU A 69 -8.191 -6.417 1.030 1.00 0.00 N ATOM 982 CA LEU A 69 -8.604 -7.456 1.981 1.00 0.00 C ATOM 983 C LEU A 69 -10.105 -7.674 1.940 1.00 0.00 C ATOM 984 O LEU A 69 -10.577 -8.801 2.120 1.00 0.00 O ATOM 985 CB LEU A 69 -8.155 -7.141 3.410 1.00 0.00 C ATOM 986 CG LEU A 69 -6.692 -7.421 3.737 1.00 0.00 C ATOM 987 CD1 LEU A 69 -6.336 -6.862 5.103 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.437 -8.918 3.707 1.00 0.00 C ATOM 0 H LEU A 69 -7.642 -5.657 1.432 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.109 -8.376 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.354 -6.087 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.775 -7.716 4.098 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.066 -6.934 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.288 -7.071 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.500 -5.784 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.964 -7.329 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.391 -9.114 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.072 -9.410 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.665 -9.306 2.714 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.856 -6.615 1.680 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.298 -6.737 1.531 1.00 0.00 C ATOM 1002 C LYS A 70 -12.641 -7.468 0.260 1.00 0.00 C ATOM 1003 O LYS A 70 -13.344 -8.463 0.269 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.950 -5.377 1.429 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.766 -4.505 2.605 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.421 -3.170 2.363 1.00 0.00 C ATOM 1007 CE LYS A 70 -13.214 -2.237 3.541 1.00 0.00 C ATOM 1008 NZ LYS A 70 -13.837 -2.751 4.778 1.00 0.00 N ATOM 0 H LYS A 70 -10.494 -5.668 1.568 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.658 -7.276 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.554 -4.866 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.018 -5.515 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.197 -4.976 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.703 -4.367 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.009 -2.718 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.488 -3.311 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.146 -2.095 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.633 -1.259 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.850 -2.001 5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.811 -3.054 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.289 -3.561 5.132 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.119 -6.965 -0.831 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.504 -7.451 -2.157 1.00 0.00 C ATOM 1024 C TYR A 71 -11.851 -8.795 -2.503 1.00 0.00 C ATOM 1025 O TYR A 71 -12.354 -9.548 -3.346 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.178 -6.398 -3.231 1.00 0.00 C ATOM 1027 CG TYR A 71 -12.694 -4.986 -2.928 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.709 -4.749 -1.988 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.134 -3.889 -3.558 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.136 -3.470 -1.705 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -12.555 -2.608 -3.277 1.00 0.00 C ATOM 1032 CZ TYR A 71 -13.555 -2.401 -2.355 1.00 0.00 C ATOM 1033 OH TYR A 71 -13.967 -1.115 -2.070 1.00 0.00 O ATOM 0 H TYR A 71 -11.425 -6.218 -0.840 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.581 -7.618 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.097 -6.354 -3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.599 -6.727 -4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -14.164 -5.585 -1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.350 -4.040 -4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.919 -3.306 -0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.101 -1.767 -3.780 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.456 -0.480 -2.614 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.758 -9.085 -1.862 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.024 -10.325 -2.084 1.00 0.00 C ATOM 1045 C CYS A 72 -10.502 -11.404 -1.156 1.00 0.00 C ATOM 1046 O CYS A 72 -10.588 -12.581 -1.551 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.517 -10.106 -1.897 1.00 0.00 C ATOM 1048 SG CYS A 72 -7.753 -9.087 -3.169 1.00 0.00 S ATOM 0 H CYS A 72 -10.336 -8.473 -1.163 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.209 -10.641 -3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.347 -9.642 -0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.020 -11.076 -1.878 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.355 -9.842 -4.149 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.806 -11.006 0.091 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.272 -11.894 1.169 1.00 0.00 C ATOM 1056 C LYS A 73 -10.142 -12.761 1.712 1.00 0.00 C ATOM 1057 O LYS A 73 -9.902 -12.810 2.920 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.482 -12.740 0.739 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.728 -11.922 0.422 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.263 -11.235 1.658 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.533 -10.483 1.342 1.00 0.00 C ATOM 1062 NZ LYS A 73 -16.113 -9.852 2.528 1.00 0.00 N ATOM 0 H LYS A 73 -10.732 -10.032 0.385 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.609 -11.253 1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.210 -13.324 -0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.717 -13.449 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.493 -11.177 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.496 -12.573 0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.456 -11.974 2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.515 -10.546 2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.324 -9.720 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.260 -11.168 0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.983 -9.348 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.338 -10.581 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.431 -9.178 2.931 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.436 -13.399 0.828 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.329 -14.236 1.196 1.00 0.00 C ATOM 1078 C ASN A 74 -7.024 -13.464 0.965 1.00 0.00 C ATOM 1079 O ASN A 74 -6.799 -12.900 -0.106 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.334 -15.576 0.407 1.00 0.00 C ATOM 1081 CG ASN A 74 -7.991 -15.426 -1.070 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -6.827 -15.525 -1.452 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -8.982 -15.199 -1.897 1.00 0.00 N ATOM 0 H ASN A 74 -9.611 -13.355 -0.176 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.417 -14.495 2.251 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.621 -16.260 0.868 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.319 -16.035 0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.800 -15.098 -2.896 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.935 -15.123 -1.542 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.178 -13.354 1.984 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.894 -12.666 1.866 1.00 0.00 C ATOM 1092 C PRO A 75 -3.834 -13.398 1.087 1.00 0.00 C ATOM 1093 O PRO A 75 -2.709 -12.933 0.973 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.418 -12.486 3.231 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.175 -13.481 4.083 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.431 -13.828 3.351 1.00 0.00 C ATOM 0 HA PRO A 75 -5.063 -11.743 1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.344 -12.659 3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.597 -11.467 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.573 -14.373 4.258 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.405 -13.055 5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.625 -14.900 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.300 -13.338 3.791 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.176 -14.529 0.563 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.310 -15.258 -0.326 1.00 0.00 C ATOM 1106 C GLU A 76 -3.240 -14.507 -1.661 1.00 0.00 C ATOM 1107 O GLU A 76 -2.411 -14.792 -2.538 1.00 0.00 O ATOM 1108 CB GLU A 76 -3.819 -16.692 -0.520 1.00 0.00 C ATOM 1109 CG GLU A 76 -2.958 -17.539 -1.442 1.00 0.00 C ATOM 1110 CD GLU A 76 -3.500 -18.916 -1.646 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -4.614 -19.055 -2.190 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -2.805 -19.893 -1.314 1.00 0.00 O ATOM 0 H GLU A 76 -5.072 -14.984 0.737 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.310 -15.327 0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.878 -17.179 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.832 -16.655 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.872 -17.042 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.952 -17.608 -1.028 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.081 -13.511 -1.760 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.174 -12.678 -2.940 1.00 0.00 C ATOM 1121 C ASP A 77 -3.782 -11.252 -2.549 1.00 0.00 C ATOM 1122 O ASP A 77 -3.793 -10.320 -3.361 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.592 -12.749 -3.518 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.758 -12.040 -4.850 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.180 -12.492 -5.869 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.508 -11.055 -4.927 1.00 0.00 O ATOM 0 H ASP A 77 -4.730 -13.249 -1.018 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.496 -13.026 -3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.871 -13.796 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.287 -12.315 -2.799 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.386 -11.108 -1.295 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.953 -9.875 -0.767 1.00 0.00 C ATOM 1133 C LEU A 78 -1.445 -9.830 -0.915 1.00 0.00 C ATOM 1134 O LEU A 78 -0.694 -10.446 -0.136 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.323 -9.813 0.689 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.977 -8.554 1.394 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.898 -7.421 1.008 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.893 -8.744 2.877 1.00 0.00 C ATOM 0 H LEU A 78 -3.365 -11.875 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.414 -9.035 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.398 -9.972 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.834 -10.641 1.203 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.978 -8.268 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.610 -6.518 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.825 -7.242 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.925 -7.684 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.637 -7.796 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.855 -9.091 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.125 -9.483 3.106 1.00 0.00 H new ATOM 1150 N GLU A 79 -1.037 -9.191 -1.939 1.00 0.00 N ATOM 1151 CA GLU A 79 0.310 -9.067 -2.323 1.00 0.00 C ATOM 1152 C GLU A 79 0.478 -7.724 -2.950 1.00 0.00 C ATOM 1153 O GLU A 79 -0.420 -7.264 -3.616 1.00 0.00 O ATOM 1154 CB GLU A 79 0.562 -10.102 -3.388 1.00 0.00 C ATOM 1155 CG GLU A 79 1.894 -10.011 -4.051 1.00 0.00 C ATOM 1156 CD GLU A 79 3.054 -10.239 -3.102 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.339 -9.352 -2.263 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.706 -11.286 -3.179 1.00 0.00 O ATOM 0 H GLU A 79 -1.676 -8.710 -2.572 1.00 0.00 H new ATOM 0 HA GLU A 79 0.983 -9.191 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.461 -11.092 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.213 -10.014 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.942 -10.745 -4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.997 -9.028 -4.510 1.00 0.00 H new ATOM 1165 N CYS A 80 1.631 -7.140 -2.812 1.00 0.00 N ATOM 1166 CA CYS A 80 1.910 -5.878 -3.439 1.00 0.00 C ATOM 1167 C CYS A 80 2.368 -6.157 -4.850 1.00 0.00 C ATOM 1168 O CYS A 80 3.544 -6.017 -5.211 1.00 0.00 O ATOM 1169 CB CYS A 80 2.934 -5.054 -2.641 1.00 0.00 C ATOM 1170 SG CYS A 80 3.459 -3.507 -3.418 1.00 0.00 S ATOM 0 H CYS A 80 2.403 -7.521 -2.265 1.00 0.00 H new ATOM 0 HA CYS A 80 1.009 -5.265 -3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.508 -4.824 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.816 -5.671 -2.467 1.00 0.00 H new ATOM 0 HG CYS A 80 3.818 -3.738 -4.646 1.00 0.00 H new ATOM 1176 N ASN A 81 1.437 -6.629 -5.636 1.00 0.00 N ATOM 1177 CA ASN A 81 1.730 -7.041 -6.980 1.00 0.00 C ATOM 1178 C ASN A 81 1.422 -5.895 -7.900 1.00 0.00 C ATOM 1179 O ASN A 81 1.097 -4.821 -7.450 1.00 0.00 O ATOM 1180 CB ASN A 81 0.902 -8.251 -7.398 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.586 -7.905 -7.496 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.026 -7.403 -8.430 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.310 -8.156 -6.544 1.00 0.00 N ATOM 0 H ASN A 81 0.460 -6.738 -5.363 1.00 0.00 H new ATOM 0 HA ASN A 81 2.781 -7.324 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.255 -8.620 -8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.043 -9.056 -6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.302 -7.920 -6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.923 -8.602 -5.712 1.00 0.00 H new ATOM 1190 N GLU A 82 1.453 -6.171 -9.164 1.00 0.00 N ATOM 1191 CA GLU A 82 1.187 -5.231 -10.225 1.00 0.00 C ATOM 1192 C GLU A 82 -0.179 -4.583 -10.111 1.00 0.00 C ATOM 1193 O GLU A 82 -0.285 -3.374 -10.114 1.00 0.00 O ATOM 1194 CB GLU A 82 1.268 -5.985 -11.480 1.00 0.00 C ATOM 1195 CG GLU A 82 2.678 -6.398 -11.798 1.00 0.00 C ATOM 1196 CD GLU A 82 3.608 -5.208 -11.862 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.460 -4.360 -12.764 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.464 -5.070 -10.968 1.00 0.00 O ATOM 0 H GLU A 82 1.675 -7.104 -9.510 1.00 0.00 H new ATOM 0 HA GLU A 82 1.913 -4.420 -10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.637 -6.871 -11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.876 -5.376 -12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.032 -7.096 -11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.696 -6.926 -12.751 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.193 -5.416 -10.021 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.589 -5.035 -9.807 1.00 0.00 C ATOM 1207 C ASN A 83 -2.651 -4.124 -8.642 1.00 0.00 C ATOM 1208 O ASN A 83 -3.238 -3.039 -8.703 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.444 -6.271 -9.434 1.00 0.00 C ATOM 1210 CG ASN A 83 -3.585 -7.298 -10.532 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -2.718 -7.458 -11.389 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -4.669 -8.017 -10.503 1.00 0.00 N ATOM 0 H ASN A 83 -1.070 -6.426 -10.097 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.963 -4.575 -10.722 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.002 -6.751 -8.561 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.438 -5.933 -9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.820 -8.740 -11.206 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.368 -7.857 -9.777 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.015 -4.545 -7.563 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.033 -3.743 -6.367 1.00 0.00 C ATOM 1221 C VAL A 84 -1.323 -2.413 -6.564 1.00 0.00 C ATOM 1222 O VAL A 84 -1.877 -1.355 -6.222 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.530 -4.519 -5.176 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.428 -3.656 -3.946 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.480 -5.633 -4.926 1.00 0.00 C ATOM 0 H VAL A 84 -1.493 -5.418 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.071 -3.492 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.529 -4.892 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.062 -4.254 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.737 -2.834 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.411 -3.254 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.142 -6.214 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.471 -5.227 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.525 -6.276 -5.805 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.148 -2.458 -7.174 1.00 0.00 N ATOM 1236 CA LYS A 85 0.614 -1.238 -7.484 1.00 0.00 C ATOM 1237 C LYS A 85 -0.233 -0.294 -8.290 1.00 0.00 C ATOM 1238 O LYS A 85 -0.360 0.862 -7.951 1.00 0.00 O ATOM 1239 CB LYS A 85 1.853 -1.565 -8.291 1.00 0.00 C ATOM 1240 CG LYS A 85 2.836 -2.411 -7.564 1.00 0.00 C ATOM 1241 CD LYS A 85 3.933 -2.858 -8.477 1.00 0.00 C ATOM 1242 CE LYS A 85 4.711 -3.935 -7.810 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.725 -4.536 -8.693 1.00 0.00 N ATOM 0 H LYS A 85 0.306 -3.323 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 85 0.904 -0.779 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.555 -2.076 -9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.338 -0.635 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.258 -1.850 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.332 -3.280 -7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.516 -3.222 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.585 -2.019 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.201 -3.529 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.028 -4.712 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.860 -5.535 -8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.407 -4.472 -9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.625 -4.026 -8.585 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.868 -0.854 -9.300 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.720 -0.154 -10.257 1.00 0.00 C ATOM 1259 C HIS A 86 -2.760 0.654 -9.489 1.00 0.00 C ATOM 1260 O HIS A 86 -2.822 1.898 -9.581 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.402 -1.224 -11.164 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.269 -0.742 -12.308 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -3.245 -1.335 -13.556 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -4.236 0.204 -12.371 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -4.146 -0.783 -14.330 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.771 0.161 -13.636 1.00 0.00 N ATOM 0 H HIS A 86 -0.805 -1.854 -9.490 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.143 0.530 -10.879 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.618 -1.855 -11.583 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.016 -1.860 -10.526 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.532 0.870 -11.574 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -4.346 -1.050 -15.357 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.523 0.755 -13.984 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.493 -0.057 -8.665 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.577 0.514 -7.865 1.00 0.00 C ATOM 1276 C LYS A 87 -4.041 1.570 -6.947 1.00 0.00 C ATOM 1277 O LYS A 87 -4.652 2.611 -6.777 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.279 -0.536 -7.042 1.00 0.00 C ATOM 1279 CG LYS A 87 -5.924 -1.643 -7.835 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.565 -2.659 -6.918 1.00 0.00 C ATOM 1281 CE LYS A 87 -5.534 -3.386 -6.053 1.00 0.00 C ATOM 1282 NZ LYS A 87 -6.139 -4.335 -5.097 1.00 0.00 N ATOM 0 H LYS A 87 -3.361 -1.058 -8.522 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.296 0.948 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.559 -0.976 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.044 -0.050 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.676 -1.226 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.176 -2.132 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.290 -2.160 -6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.116 -3.387 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.842 -3.925 -6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.948 -2.650 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.556 -4.380 -4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.097 -4.015 -4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.191 -5.279 -5.530 1.00 0.00 H new ATOM 1296 N THR A 88 -2.877 1.330 -6.469 1.00 0.00 N ATOM 1297 CA THR A 88 -2.293 2.108 -5.490 1.00 0.00 C ATOM 1298 C THR A 88 -1.860 3.425 -6.018 1.00 0.00 C ATOM 1299 O THR A 88 -2.352 4.419 -5.581 1.00 0.00 O ATOM 1300 CB THR A 88 -1.148 1.361 -4.890 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.659 0.279 -4.117 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.277 2.267 -4.083 1.00 0.00 C ATOM 0 H THR A 88 -2.297 0.549 -6.775 1.00 0.00 H new ATOM 0 HA THR A 88 -3.034 2.313 -4.717 1.00 0.00 H new ATOM 0 HB THR A 88 -0.517 0.957 -5.682 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.816 -0.493 -4.699 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.548 1.695 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.119 3.056 -4.723 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.862 2.712 -3.278 1.00 0.00 H new ATOM 1310 N LYS A 89 -0.986 3.431 -6.981 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.507 4.673 -7.498 1.00 0.00 C ATOM 1312 C LYS A 89 -1.627 5.519 -8.118 1.00 0.00 C ATOM 1313 O LYS A 89 -1.632 6.762 -7.981 1.00 0.00 O ATOM 1314 CB LYS A 89 0.723 4.481 -8.393 1.00 0.00 C ATOM 1315 CG LYS A 89 0.692 3.242 -9.253 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.247 3.313 -10.387 1.00 0.00 C ATOM 1317 CE LYS A 89 0.268 4.258 -11.474 1.00 0.00 C ATOM 1318 NZ LYS A 89 -0.538 4.218 -12.707 1.00 0.00 N ATOM 0 H LYS A 89 -0.595 2.597 -7.419 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.153 5.269 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.824 5.353 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.612 4.447 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.695 3.056 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.427 2.388 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.391 2.317 -10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.220 3.655 -10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.277 5.277 -11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.299 3.999 -11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.037 4.546 -13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.854 3.243 -12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.367 4.837 -12.600 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.611 4.831 -8.751 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.819 5.522 -9.262 1.00 0.00 C ATOM 1334 C GLU A 90 -4.563 6.184 -8.091 1.00 0.00 C ATOM 1335 O GLU A 90 -4.909 7.395 -8.126 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.784 4.539 -9.939 1.00 0.00 C ATOM 1337 CG GLU A 90 -4.323 3.942 -11.253 1.00 0.00 C ATOM 1338 CD GLU A 90 -4.122 4.963 -12.329 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -5.083 5.614 -12.737 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -2.984 5.111 -12.812 1.00 0.00 O ATOM 0 H GLU A 90 -2.593 3.825 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.492 6.263 -9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.984 3.723 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.731 5.052 -10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.388 3.405 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.057 3.210 -11.589 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.683 5.418 -7.008 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.418 5.834 -5.841 1.00 0.00 C ATOM 1349 C TYR A 91 -4.726 6.976 -5.211 1.00 0.00 C ATOM 1350 O TYR A 91 -5.321 7.963 -4.976 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.529 4.680 -4.849 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.913 5.046 -3.429 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.146 5.594 -3.127 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.039 4.772 -2.385 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.501 5.853 -1.818 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.370 5.042 -1.081 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.608 5.577 -0.797 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.974 5.815 0.519 1.00 0.00 O ATOM 0 H TYR A 91 -4.267 4.490 -6.927 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.423 6.135 -6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.265 3.972 -5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.571 4.161 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.839 5.822 -3.924 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.076 4.336 -2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.472 6.269 -1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.668 4.838 -0.286 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.636 6.691 0.799 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.449 6.804 -4.957 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.590 7.816 -4.349 1.00 0.00 C ATOM 1370 C ILE A 92 -2.699 9.144 -5.052 1.00 0.00 C ATOM 1371 O ILE A 92 -2.901 10.167 -4.390 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.123 7.368 -4.366 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.937 6.073 -3.559 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.209 8.494 -3.867 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.686 6.250 -2.124 1.00 0.00 C ATOM 0 H ILE A 92 -2.958 5.936 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.930 7.935 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.837 7.149 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.830 5.459 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.105 5.515 -3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.827 8.157 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.319 9.365 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.485 8.761 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.570 5.274 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.225 6.832 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.526 6.775 -1.670 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.558 9.148 -6.369 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.675 10.387 -7.089 1.00 0.00 C ATOM 1389 C LYS A 93 -4.021 11.010 -6.830 1.00 0.00 C ATOM 1390 O LYS A 93 -4.104 12.136 -6.287 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.434 10.218 -8.585 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.009 9.840 -8.944 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.839 9.788 -10.445 1.00 0.00 C ATOM 1394 CE LYS A 93 0.585 9.448 -10.862 1.00 0.00 C ATOM 1395 NZ LYS A 93 1.565 10.491 -10.470 1.00 0.00 N ATOM 0 H LYS A 93 -2.367 8.325 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.895 11.053 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.109 9.452 -8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.690 11.149 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.316 10.565 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.763 8.871 -8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.522 9.046 -10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.118 10.751 -10.872 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.873 8.498 -10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.619 9.312 -11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.494 10.266 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.246 11.417 -10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.643 10.522 -9.433 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.060 10.228 -7.033 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.406 10.753 -6.941 1.00 0.00 C ATOM 1411 C LYS A 94 -6.716 11.155 -5.519 1.00 0.00 C ATOM 1412 O LYS A 94 -7.494 12.075 -5.271 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.433 9.739 -7.460 1.00 0.00 C ATOM 1414 CG LYS A 94 -7.267 9.379 -8.939 1.00 0.00 C ATOM 1415 CD LYS A 94 -7.328 10.618 -9.827 1.00 0.00 C ATOM 1416 CE LYS A 94 -7.170 10.281 -11.305 1.00 0.00 C ATOM 1417 NZ LYS A 94 -8.266 9.434 -11.812 1.00 0.00 N ATOM 0 H LYS A 94 -5.000 9.236 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.470 11.639 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.360 8.828 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.434 10.141 -7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.314 8.871 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.049 8.680 -9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.280 11.126 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.543 11.314 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.132 11.205 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.220 9.770 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.197 9.359 -12.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.195 8.486 -11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.180 9.859 -11.556 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.095 10.460 -4.603 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.208 10.721 -3.234 1.00 0.00 C ATOM 1433 C TYR A 95 -5.669 12.103 -2.929 1.00 0.00 C ATOM 1434 O TYR A 95 -6.381 12.951 -2.462 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.421 9.648 -2.499 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.450 9.745 -1.012 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -4.818 10.769 -0.332 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -6.136 8.823 -0.301 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -4.875 10.859 1.025 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -6.204 8.882 1.062 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.578 9.894 1.724 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.641 9.932 3.080 1.00 0.00 O ATOM 0 H TYR A 95 -5.481 9.675 -4.820 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.249 10.699 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.809 8.672 -2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.383 9.691 -2.830 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.268 11.513 -0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.641 8.023 -0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.382 11.667 1.545 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.751 8.130 1.611 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.602 10.863 3.383 1.00 0.00 H new ATOM 1452 N MET A 96 -4.413 12.324 -3.247 1.00 0.00 N ATOM 1453 CA MET A 96 -3.754 13.540 -2.908 1.00 0.00 C ATOM 1454 C MET A 96 -4.341 14.743 -3.597 1.00 0.00 C ATOM 1455 O MET A 96 -4.161 15.876 -3.144 1.00 0.00 O ATOM 1456 CB MET A 96 -2.279 13.437 -3.147 1.00 0.00 C ATOM 1457 CG MET A 96 -1.652 12.257 -2.421 1.00 0.00 C ATOM 1458 SD MET A 96 -0.008 12.576 -1.837 1.00 0.00 S ATOM 1459 CE MET A 96 -0.340 14.010 -0.857 1.00 0.00 C ATOM 0 H MET A 96 -3.829 11.656 -3.749 1.00 0.00 H new ATOM 0 HA MET A 96 -3.919 13.694 -1.842 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.093 13.341 -4.217 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.796 14.358 -2.821 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.283 11.985 -1.575 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.630 11.398 -3.092 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.475 14.164 -0.150 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.427 14.882 -1.506 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.273 13.869 -0.311 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.079 14.496 -4.681 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.776 15.578 -5.388 1.00 0.00 C ATOM 1471 C GLN A 97 -6.789 16.265 -4.477 1.00 0.00 C ATOM 1472 O GLN A 97 -7.142 17.421 -4.689 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.475 15.097 -6.665 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.588 14.309 -7.609 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.242 14.946 -7.836 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -4.060 15.753 -8.739 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.274 14.544 -7.030 1.00 0.00 N ATOM 0 H GLN A 97 -5.210 13.569 -5.086 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.007 16.293 -5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.328 14.478 -6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.870 15.963 -7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.444 13.306 -7.208 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.096 14.200 -8.567 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.473 13.870 -6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.329 14.908 -7.147 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.210 15.562 -3.441 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.205 16.075 -2.530 1.00 0.00 C ATOM 1488 C LYS A 98 -7.626 17.150 -1.614 1.00 0.00 C ATOM 1489 O LYS A 98 -8.368 17.957 -1.067 1.00 0.00 O ATOM 1490 CB LYS A 98 -8.803 14.961 -1.662 1.00 0.00 C ATOM 1491 CG LYS A 98 -7.903 14.488 -0.512 1.00 0.00 C ATOM 1492 CD LYS A 98 -8.678 14.341 0.782 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.120 15.695 1.390 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.153 16.446 0.630 1.00 0.00 N ATOM 0 H LYS A 98 -6.872 14.627 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.990 16.511 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.747 15.312 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.033 14.107 -2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.449 13.533 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.090 15.199 -0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.560 13.727 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.063 13.809 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.499 15.512 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.240 16.329 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.706 17.035 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.691 17.053 -0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.786 15.776 0.149 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.319 17.137 -1.418 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.707 18.086 -0.501 1.00 0.00 C ATOM 1510 C PHE A 99 -5.595 19.458 -1.118 1.00 0.00 C ATOM 1511 O PHE A 99 -5.728 20.468 -0.432 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.342 17.619 0.012 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.384 16.393 0.873 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.036 16.427 2.089 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.756 15.218 0.483 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.077 15.321 2.901 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.794 14.097 1.296 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.461 14.155 2.511 1.00 0.00 C ATOM 0 H PHE A 99 -5.670 16.493 -1.871 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.373 18.145 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.695 17.424 -0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.885 18.430 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.521 17.338 2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.234 15.178 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.594 15.367 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.308 13.184 0.986 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.496 13.285 3.150 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.382 19.492 -2.399 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.238 20.731 -3.069 1.00 0.00 C ATOM 1530 C GLY A 100 -3.807 20.984 -3.348 1.00 0.00 C ATOM 1531 O GLY A 100 -3.161 20.195 -4.018 1.00 0.00 O ATOM 0 H GLY A 100 -5.305 18.668 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.804 20.719 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.647 21.536 -2.458 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.289 22.014 -2.788 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.921 22.370 -3.013 1.00 0.00 C ATOM 1537 C ALA A 101 -1.021 21.687 -2.008 1.00 0.00 C ATOM 1538 O ALA A 101 0.008 21.121 -2.373 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.744 23.872 -2.951 1.00 0.00 C ATOM 0 H ALA A 101 -3.793 22.639 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.639 22.033 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.697 24.123 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.361 24.343 -3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.045 24.234 -1.968 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.426 21.685 -0.761 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.587 21.144 0.293 1.00 0.00 C ATOM 1547 C VAL A 102 -1.336 20.018 0.964 1.00 0.00 C ATOM 1548 O VAL A 102 -2.561 19.984 0.963 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.214 22.193 1.372 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.054 21.830 2.111 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.155 23.593 0.824 1.00 0.00 C ATOM 0 H VAL A 102 -2.326 22.049 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 102 0.341 20.806 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.026 22.175 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.273 22.595 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.924 20.868 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.881 21.765 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.110 24.286 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.596 23.644 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.128 23.865 0.416 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.603 19.130 1.531 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.127 18.020 2.211 1.00 0.00 C ATOM 1563 C TYR A 103 -1.537 18.424 3.615 1.00 0.00 C ATOM 1564 O TYR A 103 -0.704 18.664 4.500 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.122 16.858 2.165 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.321 15.772 3.186 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.555 15.259 3.459 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.745 15.286 3.885 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.730 14.297 4.409 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.589 14.312 4.831 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.645 13.822 5.097 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.801 12.874 6.083 1.00 0.00 O ATOM 0 H TYR A 103 0.416 19.165 1.530 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.031 17.660 1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.162 16.408 1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.881 17.266 2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.412 15.623 2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.731 15.679 3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.717 13.912 4.618 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.448 13.934 5.365 1.00 0.00 H new ATOM 0 HH TYR A 103 0.074 12.652 6.465 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.812 18.576 3.765 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.441 18.892 5.017 1.00 0.00 C ATOM 1584 C LYS A 104 -4.344 17.727 5.441 1.00 0.00 C ATOM 1585 O LYS A 104 -5.504 17.666 5.054 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.249 20.184 4.860 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.384 21.415 4.578 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.208 22.683 4.369 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.078 22.610 3.119 1.00 0.00 C ATOM 1590 NZ LYS A 104 -5.821 23.873 2.894 1.00 0.00 N ATOM 0 H LYS A 104 -3.473 18.481 2.994 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.689 19.043 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.965 20.059 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.825 20.355 5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.696 21.568 5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.777 21.231 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.841 22.849 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.539 23.540 4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.453 22.396 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.784 21.785 3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.402 23.786 2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.436 24.064 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.147 24.656 2.778 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.799 16.758 6.213 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.542 15.536 6.636 1.00 0.00 C ATOM 1606 C PRO A 105 -5.756 15.849 7.518 1.00 0.00 C ATOM 1607 O PRO A 105 -6.693 15.067 7.631 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.508 14.718 7.399 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.447 15.689 7.775 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.415 16.749 6.715 1.00 0.00 C ATOM 0 HA PRO A 105 -4.959 15.009 5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.947 14.252 8.281 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.106 13.915 6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.656 16.128 8.751 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.480 15.191 7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.127 17.718 7.122 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.701 16.510 5.927 1.00 0.00 H new ATOM 1618 N LYS A 106 -5.714 16.980 8.161 1.00 0.00 N ATOM 1619 CA LYS A 106 -6.838 17.489 8.927 1.00 0.00 C ATOM 1620 C LYS A 106 -8.063 17.760 8.042 1.00 0.00 C ATOM 1621 O LYS A 106 -9.169 17.904 8.533 1.00 0.00 O ATOM 1622 CB LYS A 106 -6.405 18.734 9.667 1.00 0.00 C ATOM 1623 CG LYS A 106 -5.345 18.447 10.707 1.00 0.00 C ATOM 1624 CD LYS A 106 -4.758 19.713 11.263 1.00 0.00 C ATOM 1625 CE LYS A 106 -3.814 19.411 12.408 1.00 0.00 C ATOM 1626 NZ LYS A 106 -3.215 20.630 12.952 1.00 0.00 N ATOM 0 H LYS A 106 -4.895 17.588 8.175 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.145 16.729 9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.022 19.463 8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.271 19.186 10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.779 17.860 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.554 17.843 10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.224 20.247 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.557 20.369 11.608 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.355 18.888 13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.026 18.741 12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -2.575 20.383 13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.678 21.116 12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.965 21.258 13.304 1.00 0.00 H new ATOM 1640 N GLU A 107 -7.844 17.815 6.751 1.00 0.00 N ATOM 1641 CA GLU A 107 -8.901 18.028 5.786 1.00 0.00 C ATOM 1642 C GLU A 107 -9.127 16.743 4.965 1.00 0.00 C ATOM 1643 O GLU A 107 -9.909 16.740 4.025 1.00 0.00 O ATOM 1644 CB GLU A 107 -8.487 19.154 4.826 1.00 0.00 C ATOM 1645 CG GLU A 107 -8.236 20.515 5.472 1.00 0.00 C ATOM 1646 CD GLU A 107 -9.478 21.118 6.074 1.00 0.00 C ATOM 1647 OE1 GLU A 107 -10.368 21.562 5.314 1.00 0.00 O ATOM 1648 OE2 GLU A 107 -9.574 21.212 7.307 1.00 0.00 O ATOM 0 H GLU A 107 -6.919 17.712 6.334 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.817 18.294 6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.580 18.847 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.266 19.268 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.478 20.409 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.833 21.198 4.724 1.00 0.00 H new ATOM 1655 N ASP A 108 -8.461 15.652 5.362 1.00 0.00 N ATOM 1656 CA ASP A 108 -8.400 14.406 4.588 1.00 0.00 C ATOM 1657 C ASP A 108 -9.747 13.636 4.467 1.00 0.00 C ATOM 1658 O ASP A 108 -10.707 13.886 5.203 1.00 0.00 O ATOM 1659 CB ASP A 108 -7.264 13.497 5.128 1.00 0.00 C ATOM 1660 CG ASP A 108 -7.198 12.196 4.458 1.00 0.00 C ATOM 1661 OD1 ASP A 108 -6.819 12.177 3.297 1.00 0.00 O ATOM 1662 OD2 ASP A 108 -7.614 11.190 5.034 1.00 0.00 O ATOM 0 H ASP A 108 -7.943 15.609 6.240 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.175 14.704 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.309 14.009 5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.409 13.341 6.197 1.00 0.00 H new ATOM 1667 N THR A 109 -9.759 12.685 3.526 1.00 0.00 N ATOM 1668 CA THR A 109 -10.858 11.807 3.177 1.00 0.00 C ATOM 1669 C THR A 109 -11.282 10.909 4.362 1.00 0.00 C ATOM 1670 O THR A 109 -12.330 10.258 4.298 1.00 0.00 O ATOM 1671 CB THR A 109 -10.441 10.925 1.948 1.00 0.00 C ATOM 1672 OG1 THR A 109 -11.512 10.072 1.492 1.00 0.00 O ATOM 1673 CG2 THR A 109 -9.243 10.074 2.306 1.00 0.00 C ATOM 0 H THR A 109 -8.935 12.504 2.952 1.00 0.00 H new ATOM 0 HA THR A 109 -11.719 12.424 2.920 1.00 0.00 H new ATOM 0 HB THR A 109 -10.192 11.608 1.136 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.079 9.824 2.252 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.960 9.465 1.448 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.409 10.718 2.584 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.495 9.425 3.144 1.00 0.00 H new TER 1681 THR A 109