USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 911 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 10 THR OG1 : rot 143:sc= 0.325 USER MOD Set 1.2: A 78 GLN : amide:sc= 0.321 K(o=0.89,f=-0.66) USER MOD Set 1.3: A 101 SER OG : rot 111:sc= 0.241 USER MOD Set 2.1: A 75 HIS :FLIP no HE2:sc= -0.399 F(o=-1.2,f=-0.39) USER MOD Set 2.2: A 79 THR OG1 : rot -150:sc= 0.00702 USER MOD Set 3.1: A 47 GLN :FLIP amide:sc= 0.216 F(o=-0.3,f=0.41) USER MOD Set 3.2: A 72 GLN : amide:sc= 0.227 K(o=0.41,f=-0.3) USER MOD Set 3.3: A 73 TYR OH : rot 30:sc= -0.0334 USER MOD Set 4.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 3 HIS : no HD1:sc= -0.41 K(o=-0.41,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=-0.14) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 11 MET CE :methyl -160:sc= 0 (180deg=-1.03) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 82:sc= -0.051 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 36 GLN : amide:sc= -5.88! C(o=-5.9!,f=-5.6!) USER MOD Single : A 39 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 52 SER OG : rot -54:sc= 0.757 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN :FLIP amide:sc= 0.193 F(o=-1.5,f=0.19) USER MOD Single : A 55 LYS NZ :NH3+ -123:sc= 0.29 (180deg=0.0252) USER MOD Single : A 56 GLN : amide:sc=-0.00865 X(o=-0.0086,f=-0.0086) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.2) USER MOD Single : A 67 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.3!) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.167 F(o=-1.2,f=-0.17) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 85 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0587) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 MET CE :methyl 180:sc=-0.00337 (180deg=-0.00337) USER MOD Single : A 97 LYS NZ :NH3+ -129:sc= -0.454 (180deg=-2.31!) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 105 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.83) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.131 20.458 7.284 1.00 14.04 N ATOM 2 CA GLY A 1 20.366 20.924 7.972 1.00 13.85 C ATOM 3 C GLY A 1 21.240 21.782 7.078 1.00 13.29 C ATOM 4 O GLY A 1 21.517 22.938 7.396 1.00 13.45 O ATOM 0 H1 GLY A 1 18.568 19.876 7.937 1.00 14.04 H new ATOM 0 H2 GLY A 1 18.570 21.280 6.982 1.00 14.04 H new ATOM 0 H3 GLY A 1 19.390 19.892 6.451 1.00 14.04 H new ATOM 0 HA2 GLY A 1 20.091 21.493 8.860 1.00 13.85 H new ATOM 0 HA3 GLY A 1 20.937 20.060 8.312 1.00 13.85 H new ATOM 10 N SER A 2 21.675 21.213 5.958 1.00 12.81 N ATOM 11 CA SER A 2 22.524 21.931 5.015 1.00 12.44 C ATOM 12 C SER A 2 22.487 21.272 3.639 1.00 11.66 C ATOM 13 O SER A 2 23.409 20.544 3.264 1.00 11.62 O ATOM 14 CB SER A 2 23.964 21.985 5.531 1.00 13.00 C ATOM 15 OG SER A 2 24.656 23.099 4.996 1.00 13.39 O ATOM 0 H SER A 2 21.453 20.257 5.682 1.00 12.81 H new ATOM 0 HA SER A 2 22.142 22.947 4.921 1.00 12.44 H new ATOM 0 HB2 SER A 2 23.962 22.043 6.619 1.00 13.00 H new ATOM 0 HB3 SER A 2 24.485 21.066 5.262 1.00 13.00 H new ATOM 0 HG SER A 2 25.573 23.112 5.342 1.00 13.39 H new ATOM 21 N HIS A 3 21.416 21.531 2.892 1.00 11.24 N ATOM 22 CA HIS A 3 21.252 20.966 1.554 1.00 10.68 C ATOM 23 C HIS A 3 21.307 19.442 1.591 1.00 9.83 C ATOM 24 O HIS A 3 21.608 18.797 0.586 1.00 9.74 O ATOM 25 CB HIS A 3 22.329 21.508 0.612 1.00 11.22 C ATOM 26 CG HIS A 3 22.482 22.996 0.674 1.00 11.78 C ATOM 27 ND1 HIS A 3 23.097 23.647 1.723 1.00 12.09 N ATOM 28 CD2 HIS A 3 22.096 23.964 -0.192 1.00 12.30 C ATOM 29 CE1 HIS A 3 23.081 24.949 1.501 1.00 12.74 C ATOM 30 NE2 HIS A 3 22.480 25.168 0.346 1.00 12.87 N ATOM 0 H HIS A 3 20.647 22.130 3.191 1.00 11.24 H new ATOM 0 HA HIS A 3 20.272 21.263 1.181 1.00 10.68 H new ATOM 0 HB2 HIS A 3 23.283 21.042 0.857 1.00 11.22 H new ATOM 0 HB3 HIS A 3 22.086 21.218 -0.410 1.00 11.22 H new ATOM 0 HD2 HIS A 3 21.582 23.816 -1.130 1.00 12.30 H new ATOM 0 HE1 HIS A 3 23.490 25.706 2.154 1.00 12.74 H new ATOM 0 HE2 HIS A 3 22.326 26.083 -0.078 1.00 12.87 H new ATOM 39 N MET A 4 21.013 18.873 2.756 1.00 9.43 N ATOM 40 CA MET A 4 21.024 17.426 2.927 1.00 8.83 C ATOM 41 C MET A 4 20.217 17.021 4.156 1.00 8.04 C ATOM 42 O MET A 4 20.731 17.018 5.275 1.00 8.16 O ATOM 43 CB MET A 4 22.462 16.915 3.054 1.00 9.24 C ATOM 44 CG MET A 4 22.801 15.807 2.070 1.00 9.89 C ATOM 45 SD MET A 4 23.763 16.396 0.664 1.00 10.81 S ATOM 46 CE MET A 4 25.026 15.129 0.563 1.00 11.46 C ATOM 0 H MET A 4 20.764 19.394 3.597 1.00 9.43 H new ATOM 0 HA MET A 4 20.565 16.977 2.047 1.00 8.83 H new ATOM 0 HB2 MET A 4 23.150 17.747 2.903 1.00 9.24 H new ATOM 0 HB3 MET A 4 22.621 16.550 4.069 1.00 9.24 H new ATOM 0 HG2 MET A 4 23.360 15.027 2.586 1.00 9.89 H new ATOM 0 HG3 MET A 4 21.878 15.352 1.709 1.00 9.89 H new ATOM 0 HE1 MET A 4 25.701 15.354 -0.263 1.00 11.46 H new ATOM 0 HE2 MET A 4 25.589 15.102 1.496 1.00 11.46 H new ATOM 0 HE3 MET A 4 24.557 14.160 0.394 1.00 11.46 H new ATOM 56 N SER A 5 18.950 16.681 3.940 1.00 7.48 N ATOM 57 CA SER A 5 18.070 16.277 5.030 1.00 6.96 C ATOM 58 C SER A 5 17.306 15.006 4.670 1.00 5.97 C ATOM 59 O SER A 5 16.593 14.444 5.502 1.00 5.85 O ATOM 60 CB SER A 5 17.086 17.401 5.363 1.00 7.28 C ATOM 61 OG SER A 5 16.036 17.459 4.415 1.00 7.75 O ATOM 0 H SER A 5 18.510 16.677 3.020 1.00 7.48 H new ATOM 0 HA SER A 5 18.687 16.073 5.905 1.00 6.96 H new ATOM 0 HB2 SER A 5 16.672 17.243 6.359 1.00 7.28 H new ATOM 0 HB3 SER A 5 17.613 18.355 5.385 1.00 7.28 H new ATOM 0 HG SER A 5 15.421 18.184 4.652 1.00 7.75 H new ATOM 67 N HIS A 6 17.464 14.559 3.426 1.00 5.62 N ATOM 68 CA HIS A 6 16.793 13.353 2.950 1.00 5.03 C ATOM 69 C HIS A 6 15.280 13.464 3.121 1.00 4.34 C ATOM 70 O HIS A 6 14.726 13.029 4.131 1.00 4.70 O ATOM 71 CB HIS A 6 17.314 12.123 3.695 1.00 5.60 C ATOM 72 CG HIS A 6 18.520 11.502 3.060 1.00 6.21 C ATOM 73 ND1 HIS A 6 19.361 12.185 2.207 1.00 6.80 N ATOM 74 CD2 HIS A 6 19.026 10.250 3.159 1.00 6.70 C ATOM 75 CE1 HIS A 6 20.332 11.381 1.809 1.00 7.53 C ATOM 76 NE2 HIS A 6 20.151 10.201 2.374 1.00 7.49 N ATOM 0 H HIS A 6 18.052 15.015 2.729 1.00 5.62 H new ATOM 0 HA HIS A 6 17.012 13.244 1.888 1.00 5.03 H new ATOM 0 HB2 HIS A 6 17.558 12.406 4.719 1.00 5.60 H new ATOM 0 HB3 HIS A 6 16.519 11.379 3.750 1.00 5.60 H new ATOM 0 HD2 HIS A 6 18.620 9.440 3.747 1.00 6.70 H new ATOM 0 HE1 HIS A 6 21.136 11.644 1.137 1.00 7.53 H new ATOM 0 HE2 HIS A 6 20.750 9.385 2.248 1.00 7.49 H new ATOM 85 N LEU A 7 14.618 14.048 2.127 1.00 3.79 N ATOM 86 CA LEU A 7 13.169 14.216 2.166 1.00 3.54 C ATOM 87 C LEU A 7 12.466 13.051 1.476 1.00 3.05 C ATOM 88 O LEU A 7 13.103 12.073 1.087 1.00 3.39 O ATOM 89 CB LEU A 7 12.771 15.535 1.500 1.00 4.07 C ATOM 90 CG LEU A 7 13.243 16.795 2.228 1.00 4.94 C ATOM 91 CD1 LEU A 7 13.727 17.837 1.233 1.00 5.66 C ATOM 92 CD2 LEU A 7 12.127 17.358 3.095 1.00 5.67 C ATOM 0 H LEU A 7 15.062 14.413 1.284 1.00 3.79 H new ATOM 0 HA LEU A 7 12.858 14.235 3.211 1.00 3.54 H new ATOM 0 HB2 LEU A 7 13.171 15.548 0.486 1.00 4.07 H new ATOM 0 HB3 LEU A 7 11.685 15.568 1.415 1.00 4.07 H new ATOM 0 HG LEU A 7 14.078 16.527 2.875 1.00 4.94 H new ATOM 0 HD11 LEU A 7 14.059 18.726 1.770 1.00 5.66 H new ATOM 0 HD12 LEU A 7 14.557 17.431 0.656 1.00 5.66 H new ATOM 0 HD13 LEU A 7 12.912 18.103 0.559 1.00 5.66 H new ATOM 0 HD21 LEU A 7 12.480 18.254 3.606 1.00 5.67 H new ATOM 0 HD22 LEU A 7 11.272 17.611 2.468 1.00 5.67 H new ATOM 0 HD23 LEU A 7 11.829 16.613 3.833 1.00 5.67 H new ATOM 104 N ASP A 8 11.149 13.165 1.330 1.00 2.65 N ATOM 105 CA ASP A 8 10.358 12.122 0.685 1.00 2.38 C ATOM 106 C ASP A 8 10.435 12.243 -0.834 1.00 2.22 C ATOM 107 O ASP A 8 9.442 12.551 -1.494 1.00 2.74 O ATOM 108 CB ASP A 8 8.900 12.203 1.143 1.00 2.57 C ATOM 109 CG ASP A 8 8.163 10.889 0.965 1.00 3.32 C ATOM 110 OD1 ASP A 8 8.354 10.238 -0.083 1.00 3.77 O ATOM 111 OD2 ASP A 8 7.395 10.513 1.875 1.00 3.86 O ATOM 0 H ASP A 8 10.608 13.968 1.649 1.00 2.65 H new ATOM 0 HA ASP A 8 10.769 11.155 0.975 1.00 2.38 H new ATOM 0 HB2 ASP A 8 8.868 12.495 2.193 1.00 2.57 H new ATOM 0 HB3 ASP A 8 8.388 12.983 0.579 1.00 2.57 H new ATOM 116 N ASN A 9 11.620 11.995 -1.382 1.00 1.98 N ATOM 117 CA ASN A 9 11.827 12.076 -2.823 1.00 2.16 C ATOM 118 C ASN A 9 11.830 10.686 -3.452 1.00 1.77 C ATOM 119 O ASN A 9 12.881 10.063 -3.603 1.00 2.00 O ATOM 120 CB ASN A 9 13.143 12.794 -3.130 1.00 2.89 C ATOM 121 CG ASN A 9 12.986 13.856 -4.199 1.00 3.63 C ATOM 122 OD1 ASN A 9 12.142 14.746 -4.089 1.00 4.06 O ATOM 123 ND2 ASN A 9 13.800 13.767 -5.246 1.00 4.31 N ATOM 0 H ASN A 9 12.451 11.736 -0.850 1.00 1.98 H new ATOM 0 HA ASN A 9 11.003 12.645 -3.253 1.00 2.16 H new ATOM 0 HB2 ASN A 9 13.524 13.254 -2.218 1.00 2.89 H new ATOM 0 HB3 ASN A 9 13.885 12.064 -3.453 1.00 2.89 H new ATOM 0 HD21 ASN A 9 13.740 14.453 -5.999 1.00 4.31 H new ATOM 0 HD22 ASN A 9 14.485 13.013 -5.297 1.00 4.31 H new ATOM 130 N THR A 10 10.643 10.207 -3.815 1.00 1.51 N ATOM 131 CA THR A 10 10.504 8.892 -4.428 1.00 1.25 C ATOM 132 C THR A 10 9.534 8.942 -5.611 1.00 1.22 C ATOM 133 O THR A 10 9.860 9.497 -6.661 1.00 1.93 O ATOM 134 CB THR A 10 10.024 7.847 -3.401 1.00 1.11 C ATOM 135 OG1 THR A 10 10.724 8.023 -2.162 1.00 1.23 O ATOM 136 CG2 THR A 10 10.248 6.433 -3.916 1.00 1.18 C ATOM 0 H THR A 10 9.764 10.711 -3.695 1.00 1.51 H new ATOM 0 HA THR A 10 11.488 8.594 -4.791 1.00 1.25 H new ATOM 0 HB THR A 10 8.955 7.992 -3.242 1.00 1.11 H new ATOM 0 HG1 THR A 10 10.113 7.855 -1.414 1.00 1.23 H new ATOM 0 HG21 THR A 10 9.901 5.716 -3.172 1.00 1.18 H new ATOM 0 HG22 THR A 10 9.693 6.291 -4.843 1.00 1.18 H new ATOM 0 HG23 THR A 10 11.311 6.277 -4.102 1.00 1.18 H new ATOM 144 N MET A 11 8.344 8.366 -5.442 1.00 0.77 N ATOM 145 CA MET A 11 7.342 8.359 -6.501 1.00 0.68 C ATOM 146 C MET A 11 5.957 8.059 -5.938 1.00 0.61 C ATOM 147 O MET A 11 5.743 7.023 -5.307 1.00 0.63 O ATOM 148 CB MET A 11 7.703 7.331 -7.576 1.00 0.70 C ATOM 149 CG MET A 11 8.013 5.949 -7.023 1.00 0.72 C ATOM 150 SD MET A 11 6.714 4.750 -7.382 1.00 1.23 S ATOM 151 CE MET A 11 7.482 3.796 -8.689 1.00 0.74 C ATOM 0 H MET A 11 8.053 7.900 -4.583 1.00 0.77 H new ATOM 0 HA MET A 11 7.325 9.351 -6.953 1.00 0.68 H new ATOM 0 HB2 MET A 11 6.877 7.253 -8.283 1.00 0.70 H new ATOM 0 HB3 MET A 11 8.567 7.691 -8.134 1.00 0.70 H new ATOM 0 HG2 MET A 11 8.954 5.596 -7.444 1.00 0.72 H new ATOM 0 HG3 MET A 11 8.152 6.016 -5.944 1.00 0.72 H new ATOM 0 HE1 MET A 11 6.714 3.267 -9.253 1.00 0.74 H new ATOM 0 HE2 MET A 11 8.026 4.465 -9.356 1.00 0.74 H new ATOM 0 HE3 MET A 11 8.174 3.075 -8.254 1.00 0.74 H new ATOM 161 N ALA A 12 5.022 8.979 -6.163 1.00 0.57 N ATOM 162 CA ALA A 12 3.653 8.817 -5.684 1.00 0.56 C ATOM 163 C ALA A 12 3.081 7.469 -6.100 1.00 0.48 C ATOM 164 O ALA A 12 3.473 6.902 -7.120 1.00 0.46 O ATOM 165 CB ALA A 12 2.776 9.946 -6.204 1.00 0.62 C ATOM 0 H ALA A 12 5.189 9.845 -6.675 1.00 0.57 H new ATOM 0 HA ALA A 12 3.669 8.854 -4.595 1.00 0.56 H new ATOM 0 HB1 ALA A 12 1.757 9.813 -5.839 1.00 0.62 H new ATOM 0 HB2 ALA A 12 3.166 10.901 -5.852 1.00 0.62 H new ATOM 0 HB3 ALA A 12 2.776 9.934 -7.294 1.00 0.62 H new ATOM 171 N ILE A 13 2.154 6.962 -5.296 1.00 0.46 N ATOM 172 CA ILE A 13 1.517 5.681 -5.567 1.00 0.44 C ATOM 173 C ILE A 13 0.848 5.685 -6.943 1.00 0.43 C ATOM 174 O ILE A 13 0.697 4.639 -7.575 1.00 0.45 O ATOM 175 CB ILE A 13 0.484 5.347 -4.464 1.00 0.48 C ATOM 176 CG1 ILE A 13 1.097 4.384 -3.445 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.796 4.759 -5.046 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.523 4.531 -2.054 1.00 0.58 C ATOM 0 H ILE A 13 1.826 7.422 -4.447 1.00 0.46 H new ATOM 0 HA ILE A 13 2.288 4.911 -5.566 1.00 0.44 H new ATOM 0 HB ILE A 13 0.218 6.279 -3.964 1.00 0.48 H new ATOM 0 HG12 ILE A 13 0.943 3.360 -3.786 1.00 0.65 H new ATOM 0 HG13 ILE A 13 2.174 4.548 -3.404 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -1.495 4.538 -4.239 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -1.247 5.477 -5.731 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.562 3.841 -5.585 1.00 0.54 H new ATOM 0 HD11 ILE A 13 1.004 3.818 -1.385 1.00 0.58 H new ATOM 0 HD12 ILE A 13 0.700 5.544 -1.692 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.549 4.338 -2.081 1.00 0.58 H new ATOM 190 N ARG A 14 0.459 6.872 -7.401 1.00 0.47 N ATOM 191 CA ARG A 14 -0.191 7.018 -8.698 1.00 0.53 C ATOM 192 C ARG A 14 0.662 6.413 -9.810 1.00 0.51 C ATOM 193 O ARG A 14 0.138 5.862 -10.779 1.00 0.66 O ATOM 194 CB ARG A 14 -0.462 8.497 -8.994 1.00 0.62 C ATOM 195 CG ARG A 14 0.801 9.318 -9.206 1.00 1.28 C ATOM 196 CD ARG A 14 0.575 10.784 -8.873 1.00 1.42 C ATOM 197 NE ARG A 14 -0.060 11.503 -9.975 1.00 1.82 N ATOM 198 CZ ARG A 14 -0.751 12.629 -9.821 1.00 2.23 C ATOM 199 NH1 ARG A 14 -0.897 13.162 -8.615 1.00 2.63 N ATOM 200 NH2 ARG A 14 -1.296 13.223 -10.874 1.00 2.82 N ATOM 0 H ARG A 14 0.583 7.747 -6.892 1.00 0.47 H new ATOM 0 HA ARG A 14 -1.139 6.481 -8.661 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -1.087 8.572 -9.884 1.00 0.62 H new ATOM 0 HB3 ARG A 14 -1.030 8.926 -8.168 1.00 0.62 H new ATOM 0 HG2 ARG A 14 1.603 8.922 -8.583 1.00 1.28 H new ATOM 0 HG3 ARG A 14 1.127 9.225 -10.242 1.00 1.28 H new ATOM 0 HD2 ARG A 14 -0.048 10.862 -7.982 1.00 1.42 H new ATOM 0 HD3 ARG A 14 1.530 11.253 -8.636 1.00 1.42 H new ATOM 0 HE ARG A 14 0.032 11.120 -10.916 1.00 1.82 H new ATOM 0 HH11 ARG A 14 -0.479 12.708 -7.803 1.00 2.63 H new ATOM 0 HH12 ARG A 14 -1.427 14.026 -8.500 1.00 2.63 H new ATOM 0 HH21 ARG A 14 -1.185 12.816 -11.803 1.00 2.82 H new ATOM 0 HH22 ARG A 14 -1.826 14.086 -10.755 1.00 2.82 H new ATOM 214 N LEU A 15 1.980 6.517 -9.662 1.00 0.43 N ATOM 215 CA LEU A 15 2.906 5.981 -10.651 1.00 0.46 C ATOM 216 C LEU A 15 2.960 4.460 -10.575 1.00 0.42 C ATOM 217 O LEU A 15 3.083 3.783 -11.596 1.00 0.44 O ATOM 218 CB LEU A 15 4.305 6.566 -10.440 1.00 0.54 C ATOM 219 CG LEU A 15 5.176 6.633 -11.696 1.00 0.64 C ATOM 220 CD1 LEU A 15 6.183 7.767 -11.587 1.00 1.44 C ATOM 221 CD2 LEU A 15 5.887 5.307 -11.921 1.00 1.51 C ATOM 0 H LEU A 15 2.429 6.968 -8.865 1.00 0.43 H new ATOM 0 HA LEU A 15 2.548 6.264 -11.641 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.204 7.572 -10.033 1.00 0.54 H new ATOM 0 HB3 LEU A 15 4.822 5.969 -9.689 1.00 0.54 H new ATOM 0 HG LEU A 15 4.531 6.828 -12.553 1.00 0.64 H new ATOM 0 HD11 LEU A 15 6.794 7.799 -12.489 1.00 1.44 H new ATOM 0 HD12 LEU A 15 5.654 8.713 -11.473 1.00 1.44 H new ATOM 0 HD13 LEU A 15 6.824 7.602 -10.721 1.00 1.44 H new ATOM 0 HD21 LEU A 15 6.502 5.372 -12.818 1.00 1.51 H new ATOM 0 HD22 LEU A 15 6.520 5.083 -11.062 1.00 1.51 H new ATOM 0 HD23 LEU A 15 5.149 4.515 -12.044 1.00 1.51 H new ATOM 233 N LEU A 16 2.870 3.930 -9.358 1.00 0.38 N ATOM 234 CA LEU A 16 2.907 2.487 -9.146 1.00 0.38 C ATOM 235 C LEU A 16 1.877 1.778 -10.027 1.00 0.36 C ATOM 236 O LEU A 16 0.673 1.934 -9.824 1.00 0.35 O ATOM 237 CB LEU A 16 2.649 2.158 -7.673 1.00 0.39 C ATOM 238 CG LEU A 16 3.591 1.117 -7.063 1.00 0.67 C ATOM 239 CD1 LEU A 16 3.412 -0.231 -7.742 1.00 0.92 C ATOM 240 CD2 LEU A 16 5.036 1.577 -7.167 1.00 0.93 C ATOM 0 H LEU A 16 2.771 4.479 -8.504 1.00 0.38 H new ATOM 0 HA LEU A 16 3.900 2.131 -9.422 1.00 0.38 H new ATOM 0 HB2 LEU A 16 2.725 3.078 -7.093 1.00 0.39 H new ATOM 0 HB3 LEU A 16 1.624 1.801 -7.571 1.00 0.39 H new ATOM 0 HG LEU A 16 3.340 1.006 -6.008 1.00 0.67 H new ATOM 0 HD11 LEU A 16 4.090 -0.957 -7.294 1.00 0.92 H new ATOM 0 HD12 LEU A 16 2.384 -0.569 -7.615 1.00 0.92 H new ATOM 0 HD13 LEU A 16 3.633 -0.135 -8.805 1.00 0.92 H new ATOM 0 HD21 LEU A 16 5.690 0.824 -6.728 1.00 0.93 H new ATOM 0 HD22 LEU A 16 5.298 1.719 -8.215 1.00 0.93 H new ATOM 0 HD23 LEU A 16 5.157 2.519 -6.632 1.00 0.93 H new ATOM 252 N PRO A 17 2.338 0.992 -11.022 1.00 0.38 N ATOM 253 CA PRO A 17 1.443 0.263 -11.928 1.00 0.40 C ATOM 254 C PRO A 17 0.382 -0.537 -11.179 1.00 0.35 C ATOM 255 O PRO A 17 0.704 -1.393 -10.354 1.00 0.35 O ATOM 256 CB PRO A 17 2.387 -0.676 -12.680 1.00 0.46 C ATOM 257 CG PRO A 17 3.708 0.011 -12.650 1.00 0.48 C ATOM 258 CD PRO A 17 3.760 0.752 -11.343 1.00 0.43 C ATOM 0 HA PRO A 17 0.884 0.938 -12.576 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.438 -1.653 -12.200 1.00 0.46 H new ATOM 0 HB3 PRO A 17 2.049 -0.840 -13.703 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.524 -0.708 -12.723 1.00 0.48 H new ATOM 0 HG3 PRO A 17 3.811 0.696 -13.491 1.00 0.48 H new ATOM 0 HD2 PRO A 17 4.252 0.164 -10.568 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.314 1.687 -11.434 1.00 0.43 H new ATOM 266 N LEU A 18 -0.883 -0.250 -11.472 1.00 0.40 N ATOM 267 CA LEU A 18 -1.996 -0.941 -10.829 1.00 0.41 C ATOM 268 C LEU A 18 -1.910 -2.460 -11.024 1.00 0.36 C ATOM 269 O LEU A 18 -2.037 -3.209 -10.056 1.00 0.37 O ATOM 270 CB LEU A 18 -3.333 -0.415 -11.360 1.00 0.51 C ATOM 271 CG LEU A 18 -4.344 -0.017 -10.282 1.00 0.76 C ATOM 272 CD1 LEU A 18 -5.291 1.054 -10.804 1.00 1.36 C ATOM 273 CD2 LEU A 18 -5.125 -1.233 -9.808 1.00 1.64 C ATOM 0 H LEU A 18 -1.163 0.457 -12.151 1.00 0.40 H new ATOM 0 HA LEU A 18 -1.933 -0.738 -9.760 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.140 0.451 -11.994 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.782 -1.180 -11.993 1.00 0.51 H new ATOM 0 HG LEU A 18 -3.796 0.393 -9.434 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -6.002 1.323 -10.023 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -4.719 1.936 -11.094 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -5.831 0.671 -11.670 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -5.839 -0.931 -9.042 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -5.660 -1.672 -10.650 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -4.436 -1.968 -9.392 1.00 1.64 H new ATOM 285 N PRO A 19 -1.697 -2.946 -12.271 1.00 0.36 N ATOM 286 CA PRO A 19 -1.600 -4.386 -12.543 1.00 0.41 C ATOM 287 C PRO A 19 -0.585 -5.081 -11.640 1.00 0.39 C ATOM 288 O PRO A 19 -0.692 -6.279 -11.377 1.00 0.44 O ATOM 289 CB PRO A 19 -1.155 -4.463 -14.011 1.00 0.49 C ATOM 290 CG PRO A 19 -0.749 -3.077 -14.386 1.00 0.59 C ATOM 291 CD PRO A 19 -1.542 -2.157 -13.504 1.00 0.40 C ATOM 0 HA PRO A 19 -2.547 -4.892 -12.353 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -0.326 -5.160 -14.132 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -1.965 -4.819 -14.647 1.00 0.49 H new ATOM 0 HG2 PRO A 19 0.321 -2.931 -14.239 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -0.956 -2.882 -15.438 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -1.018 -1.219 -13.321 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.505 -1.903 -13.946 1.00 0.40 H new ATOM 299 N VAL A 20 0.399 -4.322 -11.168 1.00 0.38 N ATOM 300 CA VAL A 20 1.427 -4.865 -10.287 1.00 0.44 C ATOM 301 C VAL A 20 0.967 -4.824 -8.833 1.00 0.42 C ATOM 302 O VAL A 20 1.189 -5.767 -8.074 1.00 0.46 O ATOM 303 CB VAL A 20 2.754 -4.092 -10.422 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.816 -4.675 -9.501 1.00 0.65 C ATOM 305 CG2 VAL A 20 3.231 -4.098 -11.866 1.00 0.56 C ATOM 0 H VAL A 20 0.506 -3.330 -11.381 1.00 0.38 H new ATOM 0 HA VAL A 20 1.594 -5.899 -10.587 1.00 0.44 H new ATOM 0 HB VAL A 20 2.579 -3.058 -10.123 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.743 -4.113 -9.614 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.476 -4.611 -8.467 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.990 -5.719 -9.761 1.00 0.65 H new ATOM 0 HG21 VAL A 20 4.169 -3.548 -11.942 1.00 0.56 H new ATOM 0 HG22 VAL A 20 3.386 -5.126 -12.194 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.480 -3.625 -12.499 1.00 0.56 H new ATOM 315 N ARG A 21 0.328 -3.722 -8.454 1.00 0.42 N ATOM 316 CA ARG A 21 -0.174 -3.551 -7.094 1.00 0.46 C ATOM 317 C ARG A 21 -1.176 -4.645 -6.741 1.00 0.39 C ATOM 318 O ARG A 21 -1.231 -5.107 -5.602 1.00 0.38 O ATOM 319 CB ARG A 21 -0.837 -2.183 -6.946 1.00 0.54 C ATOM 320 CG ARG A 21 0.137 -1.022 -7.068 1.00 1.17 C ATOM 321 CD ARG A 21 0.236 -0.231 -5.771 1.00 0.77 C ATOM 322 NE ARG A 21 0.144 -1.088 -4.592 1.00 1.75 N ATOM 323 CZ ARG A 21 1.116 -1.904 -4.194 1.00 2.57 C ATOM 324 NH1 ARG A 21 2.251 -1.974 -4.877 1.00 2.82 N ATOM 325 NH2 ARG A 21 0.954 -2.651 -3.111 1.00 3.62 N ATOM 0 H ARG A 21 0.145 -2.931 -9.072 1.00 0.42 H new ATOM 0 HA ARG A 21 0.672 -3.620 -6.411 1.00 0.46 H new ATOM 0 HB2 ARG A 21 -1.611 -2.079 -7.706 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -1.333 -2.131 -5.977 1.00 0.54 H new ATOM 0 HG2 ARG A 21 1.122 -1.401 -7.339 1.00 1.17 H new ATOM 0 HG3 ARG A 21 -0.183 -0.361 -7.874 1.00 1.17 H new ATOM 0 HD2 ARG A 21 1.181 0.312 -5.750 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.560 0.513 -5.740 1.00 0.77 H new ATOM 0 HE ARG A 21 -0.715 -1.059 -4.042 1.00 1.75 H new ATOM 0 HH11 ARG A 21 2.381 -1.401 -5.711 1.00 2.82 H new ATOM 0 HH12 ARG A 21 2.994 -2.601 -4.568 1.00 2.82 H new ATOM 0 HH21 ARG A 21 0.083 -2.600 -2.582 1.00 3.62 H new ATOM 0 HH22 ARG A 21 1.700 -3.276 -2.807 1.00 3.62 H new ATOM 339 N ALA A 22 -1.968 -5.048 -7.730 1.00 0.40 N ATOM 340 CA ALA A 22 -2.976 -6.082 -7.537 1.00 0.40 C ATOM 341 C ALA A 22 -2.359 -7.373 -7.008 1.00 0.35 C ATOM 342 O ALA A 22 -3.051 -8.207 -6.420 1.00 0.37 O ATOM 343 CB ALA A 22 -3.715 -6.339 -8.840 1.00 0.48 C ATOM 0 H ALA A 22 -1.930 -4.671 -8.677 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.685 -5.727 -6.789 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.466 -7.113 -8.686 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.202 -5.421 -9.169 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -3.007 -6.667 -9.601 1.00 0.48 H new ATOM 349 N GLN A 23 -1.056 -7.536 -7.218 1.00 0.36 N ATOM 350 CA GLN A 23 -0.350 -8.726 -6.757 1.00 0.39 C ATOM 351 C GLN A 23 -0.296 -8.764 -5.234 1.00 0.34 C ATOM 352 O GLN A 23 -0.795 -9.700 -4.607 1.00 0.42 O ATOM 353 CB GLN A 23 1.069 -8.757 -7.326 1.00 0.49 C ATOM 354 CG GLN A 23 1.594 -10.161 -7.580 1.00 0.96 C ATOM 355 CD GLN A 23 1.550 -10.540 -9.047 1.00 1.44 C ATOM 356 OE1 GLN A 23 0.571 -11.118 -9.522 1.00 2.14 O ATOM 357 NE2 GLN A 23 2.613 -10.217 -9.775 1.00 2.10 N ATOM 0 H GLN A 23 -0.468 -6.859 -7.704 1.00 0.36 H new ATOM 0 HA GLN A 23 -0.895 -9.602 -7.110 1.00 0.39 H new ATOM 0 HB2 GLN A 23 1.089 -8.196 -8.261 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.740 -8.247 -6.634 1.00 0.49 H new ATOM 0 HG2 GLN A 23 2.620 -10.232 -7.220 1.00 0.96 H new ATOM 0 HG3 GLN A 23 1.004 -10.875 -7.006 1.00 0.96 H new ATOM 0 HE21 GLN A 23 3.402 -9.738 -9.341 1.00 2.10 H new ATOM 0 HE22 GLN A 23 2.640 -10.447 -10.768 1.00 2.10 H new ATOM 366 N LEU A 24 0.312 -7.740 -4.646 1.00 0.29 N ATOM 367 CA LEU A 24 0.434 -7.649 -3.197 1.00 0.30 C ATOM 368 C LEU A 24 -0.934 -7.456 -2.551 1.00 0.30 C ATOM 369 O LEU A 24 -1.166 -7.895 -1.425 1.00 0.31 O ATOM 370 CB LEU A 24 1.364 -6.495 -2.816 1.00 0.38 C ATOM 371 CG LEU A 24 1.641 -6.338 -1.320 1.00 0.43 C ATOM 372 CD1 LEU A 24 2.288 -7.593 -0.756 1.00 1.51 C ATOM 373 CD2 LEU A 24 2.524 -5.125 -1.072 1.00 1.40 C ATOM 0 H LEU A 24 0.729 -6.959 -5.153 1.00 0.29 H new ATOM 0 HA LEU A 24 0.860 -8.583 -2.830 1.00 0.30 H new ATOM 0 HB2 LEU A 24 2.315 -6.633 -3.331 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.932 -5.566 -3.187 1.00 0.38 H new ATOM 0 HG LEU A 24 0.690 -6.188 -0.808 1.00 0.43 H new ATOM 0 HD11 LEU A 24 2.476 -7.458 0.309 1.00 1.51 H new ATOM 0 HD12 LEU A 24 1.622 -8.443 -0.902 1.00 1.51 H new ATOM 0 HD13 LEU A 24 3.231 -7.779 -1.270 1.00 1.51 H new ATOM 0 HD21 LEU A 24 2.713 -5.025 -0.003 1.00 1.40 H new ATOM 0 HD22 LEU A 24 3.470 -5.250 -1.598 1.00 1.40 H new ATOM 0 HD23 LEU A 24 2.022 -4.229 -1.437 1.00 1.40 H new ATOM 385 N CYS A 25 -1.835 -6.796 -3.272 1.00 0.34 N ATOM 386 CA CYS A 25 -3.181 -6.555 -2.770 1.00 0.39 C ATOM 387 C CYS A 25 -3.898 -7.875 -2.526 1.00 0.39 C ATOM 388 O CYS A 25 -4.611 -8.037 -1.536 1.00 0.42 O ATOM 389 CB CYS A 25 -3.974 -5.703 -3.762 1.00 0.47 C ATOM 390 SG CYS A 25 -3.551 -3.945 -3.728 1.00 0.55 S ATOM 0 H CYS A 25 -1.657 -6.420 -4.203 1.00 0.34 H new ATOM 0 HA CYS A 25 -3.107 -6.016 -1.826 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -3.807 -6.087 -4.769 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -5.038 -5.814 -3.551 1.00 0.47 H new ATOM 0 HG CYS A 25 -2.486 -3.741 -4.445 1.00 0.55 H new ATOM 396 N ALA A 26 -3.704 -8.817 -3.443 1.00 0.40 N ATOM 397 CA ALA A 26 -4.318 -10.135 -3.335 1.00 0.45 C ATOM 398 C ALA A 26 -3.844 -10.850 -2.076 1.00 0.42 C ATOM 399 O ALA A 26 -4.643 -11.421 -1.333 1.00 0.46 O ATOM 400 CB ALA A 26 -3.988 -10.965 -4.563 1.00 0.52 C ATOM 0 H ALA A 26 -3.124 -8.691 -4.272 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.399 -10.008 -3.271 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -4.451 -11.948 -4.473 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -4.369 -10.465 -5.453 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -2.907 -11.079 -4.645 1.00 0.52 H new ATOM 406 N HIS A 27 -2.536 -10.813 -1.848 1.00 0.37 N ATOM 407 CA HIS A 27 -1.937 -11.456 -0.686 1.00 0.37 C ATOM 408 C HIS A 27 -2.498 -10.879 0.610 1.00 0.38 C ATOM 409 O HIS A 27 -2.904 -11.618 1.508 1.00 0.44 O ATOM 410 CB HIS A 27 -0.419 -11.277 -0.723 1.00 0.37 C ATOM 411 CG HIS A 27 0.281 -11.798 0.494 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.181 -13.107 0.918 1.00 0.62 N ATOM 413 CD2 HIS A 27 1.096 -11.181 1.383 1.00 0.55 C ATOM 414 CE1 HIS A 27 0.902 -13.272 2.012 1.00 0.72 C ATOM 415 NE2 HIS A 27 1.467 -12.118 2.314 1.00 0.68 N ATOM 0 H HIS A 27 -1.867 -10.341 -2.457 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.180 -12.518 -0.717 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.024 -11.785 -1.603 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.190 -10.217 -0.837 1.00 0.37 H new ATOM 0 HD2 HIS A 27 1.398 -10.144 1.363 1.00 0.55 H new ATOM 0 HE1 HIS A 27 1.011 -14.193 2.565 1.00 0.72 H new ATOM 0 HE2 HIS A 27 2.081 -11.950 3.111 1.00 0.68 H new ATOM 424 N LEU A 28 -2.514 -9.555 0.695 1.00 0.37 N ATOM 425 CA LEU A 28 -3.012 -8.863 1.877 1.00 0.45 C ATOM 426 C LEU A 28 -4.475 -9.201 2.152 1.00 0.49 C ATOM 427 O LEU A 28 -4.834 -9.581 3.266 1.00 0.51 O ATOM 428 CB LEU A 28 -2.846 -7.351 1.704 1.00 0.51 C ATOM 429 CG LEU A 28 -1.512 -6.779 2.194 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.383 -6.942 3.701 1.00 1.09 C ATOM 431 CD2 LEU A 28 -0.341 -7.443 1.481 1.00 0.99 C ATOM 0 H LEU A 28 -2.186 -8.935 -0.046 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.427 -9.198 2.733 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -2.961 -7.108 0.648 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -3.655 -6.850 2.236 1.00 0.51 H new ATOM 0 HG LEU A 28 -1.492 -5.715 1.959 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -0.429 -6.530 4.031 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -2.198 -6.413 4.195 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -1.430 -8.000 3.958 1.00 1.09 H new ATOM 0 HD21 LEU A 28 0.595 -7.020 1.846 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.356 -8.515 1.678 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.423 -7.270 0.408 1.00 0.99 H new ATOM 443 N ASP A 29 -5.315 -9.058 1.132 1.00 0.60 N ATOM 444 CA ASP A 29 -6.740 -9.342 1.270 1.00 0.69 C ATOM 445 C ASP A 29 -6.976 -10.808 1.623 1.00 0.57 C ATOM 446 O ASP A 29 -8.013 -11.159 2.188 1.00 0.55 O ATOM 447 CB ASP A 29 -7.480 -8.991 -0.021 1.00 0.94 C ATOM 448 CG ASP A 29 -8.987 -9.029 0.149 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.481 -8.542 1.188 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.673 -9.546 -0.758 1.00 1.12 O ATOM 0 H ASP A 29 -5.035 -8.748 0.202 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.127 -8.727 2.082 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.179 -7.997 -0.350 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -7.188 -9.689 -0.806 1.00 0.94 H new ATOM 455 N ALA A 30 -6.012 -11.659 1.289 1.00 0.56 N ATOM 456 CA ALA A 30 -6.119 -13.085 1.576 1.00 0.58 C ATOM 457 C ALA A 30 -6.062 -13.338 3.078 1.00 0.46 C ATOM 458 O ALA A 30 -6.690 -14.266 3.588 1.00 0.54 O ATOM 459 CB ALA A 30 -5.016 -13.854 0.866 1.00 0.68 C ATOM 0 H ALA A 30 -5.148 -11.387 0.820 1.00 0.56 H new ATOM 0 HA ALA A 30 -7.082 -13.437 1.206 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -5.110 -14.916 1.091 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.101 -13.702 -0.210 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -4.045 -13.496 1.208 1.00 0.68 H new ATOM 465 N LEU A 31 -5.303 -12.502 3.779 1.00 0.37 N ATOM 466 CA LEU A 31 -5.160 -12.622 5.225 1.00 0.40 C ATOM 467 C LEU A 31 -6.437 -12.182 5.938 1.00 0.40 C ATOM 468 O LEU A 31 -6.503 -12.184 7.167 1.00 0.45 O ATOM 469 CB LEU A 31 -3.977 -11.785 5.711 1.00 0.45 C ATOM 470 CG LEU A 31 -2.649 -12.535 5.797 1.00 0.64 C ATOM 471 CD1 LEU A 31 -2.016 -12.660 4.421 1.00 1.10 C ATOM 472 CD2 LEU A 31 -1.705 -11.833 6.759 1.00 1.16 C ATOM 0 H LEU A 31 -4.776 -11.732 3.367 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.977 -13.670 5.461 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.854 -10.934 5.041 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.215 -11.384 6.696 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.843 -13.538 6.176 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -1.071 -13.197 4.503 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -2.688 -13.207 3.760 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.834 -11.666 4.012 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -0.763 -12.380 6.809 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -1.517 -10.818 6.409 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -2.157 -11.797 7.750 1.00 1.16 H new ATOM 484 N ASP A 32 -7.446 -11.805 5.153 1.00 0.40 N ATOM 485 CA ASP A 32 -8.723 -11.357 5.701 1.00 0.46 C ATOM 486 C ASP A 32 -8.527 -10.154 6.617 1.00 0.46 C ATOM 487 O ASP A 32 -9.068 -10.104 7.722 1.00 0.57 O ATOM 488 CB ASP A 32 -9.408 -12.494 6.465 1.00 0.52 C ATOM 489 CG ASP A 32 -10.919 -12.450 6.336 1.00 1.20 C ATOM 490 OD1 ASP A 32 -11.456 -11.375 5.996 1.00 2.03 O ATOM 491 OD2 ASP A 32 -11.565 -13.492 6.578 1.00 1.57 O ATOM 0 H ASP A 32 -7.402 -11.802 4.134 1.00 0.40 H new ATOM 0 HA ASP A 32 -9.361 -11.058 4.869 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -9.042 -13.451 6.092 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -9.134 -12.437 7.519 1.00 0.52 H new ATOM 496 N VAL A 33 -7.747 -9.185 6.148 1.00 0.42 N ATOM 497 CA VAL A 33 -7.474 -7.981 6.924 1.00 0.43 C ATOM 498 C VAL A 33 -7.505 -6.736 6.040 1.00 0.42 C ATOM 499 O VAL A 33 -6.491 -6.063 5.859 1.00 0.52 O ATOM 500 CB VAL A 33 -6.106 -8.069 7.629 1.00 0.48 C ATOM 501 CG1 VAL A 33 -6.188 -8.985 8.841 1.00 0.54 C ATOM 502 CG2 VAL A 33 -5.032 -8.547 6.664 1.00 0.50 C ATOM 0 H VAL A 33 -7.293 -9.210 5.235 1.00 0.42 H new ATOM 0 HA VAL A 33 -8.258 -7.903 7.677 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.833 -7.071 7.972 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -5.213 -9.035 9.326 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -6.923 -8.593 9.544 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -6.486 -9.984 8.523 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -4.075 -8.602 7.183 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -5.296 -9.534 6.285 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.954 -7.848 5.831 1.00 0.50 H new ATOM 512 N TRP A 34 -8.676 -6.435 5.489 1.00 0.39 N ATOM 513 CA TRP A 34 -8.833 -5.267 4.630 1.00 0.38 C ATOM 514 C TRP A 34 -9.144 -4.024 5.458 1.00 0.33 C ATOM 515 O TRP A 34 -8.670 -2.928 5.153 1.00 0.34 O ATOM 516 CB TRP A 34 -9.936 -5.505 3.595 1.00 0.40 C ATOM 517 CG TRP A 34 -11.296 -5.695 4.197 1.00 0.39 C ATOM 518 CD1 TRP A 34 -11.813 -6.852 4.703 1.00 0.47 C ATOM 519 CD2 TRP A 34 -12.311 -4.697 4.353 1.00 0.37 C ATOM 520 NE1 TRP A 34 -13.089 -6.635 5.165 1.00 0.50 N ATOM 521 CE2 TRP A 34 -13.417 -5.319 4.962 1.00 0.44 C ATOM 522 CE3 TRP A 34 -12.391 -3.337 4.039 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -14.589 -4.629 5.261 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.556 -2.652 4.337 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.640 -3.299 4.943 1.00 0.50 C ATOM 0 H TRP A 34 -9.527 -6.981 5.621 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.892 -5.104 4.105 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.967 -4.659 2.909 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -9.684 -6.385 3.004 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -11.295 -7.799 4.736 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -13.694 -7.338 5.590 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.559 -2.830 3.573 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -15.427 -5.126 5.727 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.630 -1.601 4.098 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.535 -2.737 5.164 1.00 0.50 H new ATOM 536 N GLN A 35 -9.944 -4.202 6.504 1.00 0.32 N ATOM 537 CA GLN A 35 -10.318 -3.097 7.381 1.00 0.33 C ATOM 538 C GLN A 35 -9.096 -2.536 8.102 1.00 0.32 C ATOM 539 O GLN A 35 -9.063 -1.360 8.465 1.00 0.35 O ATOM 540 CB GLN A 35 -11.357 -3.561 8.403 1.00 0.38 C ATOM 541 CG GLN A 35 -12.385 -2.496 8.750 1.00 1.12 C ATOM 542 CD GLN A 35 -13.093 -2.778 10.060 1.00 1.61 C ATOM 543 OE1 GLN A 35 -12.455 -2.996 11.090 1.00 2.15 O ATOM 544 NE2 GLN A 35 -14.421 -2.775 10.028 1.00 2.32 N ATOM 0 H GLN A 35 -10.347 -5.102 6.766 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.749 -2.307 6.766 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -11.872 -4.438 8.012 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -10.845 -3.871 9.314 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -11.892 -1.525 8.809 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -13.122 -2.432 7.949 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -14.910 -2.589 9.152 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -14.952 -2.958 10.879 1.00 2.32 H new ATOM 553 N GLN A 36 -8.093 -3.385 8.303 1.00 0.33 N ATOM 554 CA GLN A 36 -6.869 -2.980 8.984 1.00 0.38 C ATOM 555 C GLN A 36 -6.037 -2.051 8.104 1.00 0.37 C ATOM 556 O GLN A 36 -5.431 -1.103 8.597 1.00 0.46 O ATOM 557 CB GLN A 36 -6.059 -4.222 9.386 1.00 0.45 C ATOM 558 CG GLN A 36 -4.549 -4.012 9.407 1.00 1.54 C ATOM 559 CD GLN A 36 -3.854 -4.625 8.204 1.00 2.38 C ATOM 560 OE1 GLN A 36 -2.664 -4.937 8.254 1.00 3.29 O ATOM 561 NE2 GLN A 36 -4.592 -4.796 7.112 1.00 2.41 N ATOM 0 H GLN A 36 -8.104 -4.360 8.003 1.00 0.33 H new ATOM 0 HA GLN A 36 -7.137 -2.429 9.886 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -6.382 -4.546 10.375 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -6.291 -5.031 8.694 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -4.336 -2.944 9.439 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -4.139 -4.446 10.319 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -5.575 -4.524 7.113 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -4.175 -5.200 6.273 1.00 2.41 H new ATOM 570 N LEU A 37 -6.015 -2.327 6.806 1.00 0.37 N ATOM 571 CA LEU A 37 -5.255 -1.507 5.869 1.00 0.40 C ATOM 572 C LEU A 37 -5.796 -0.081 5.841 1.00 0.38 C ATOM 573 O LEU A 37 -5.081 0.871 6.155 1.00 0.42 O ATOM 574 CB LEU A 37 -5.304 -2.119 4.468 1.00 0.43 C ATOM 575 CG LEU A 37 -4.261 -3.205 4.202 1.00 0.46 C ATOM 576 CD1 LEU A 37 -4.875 -4.354 3.419 1.00 0.49 C ATOM 577 CD2 LEU A 37 -3.068 -2.627 3.456 1.00 0.65 C ATOM 0 H LEU A 37 -6.512 -3.109 6.379 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.218 -1.476 6.203 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.296 -2.541 4.306 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -5.173 -1.323 3.735 1.00 0.43 H new ATOM 0 HG LEU A 37 -3.913 -3.590 5.160 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.118 -5.117 3.239 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.697 -4.786 3.990 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.251 -3.984 2.465 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.336 -3.414 3.275 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -3.400 -2.214 2.503 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -2.612 -1.838 4.054 1.00 0.65 H new ATOM 589 N ALA A 38 -7.059 0.059 5.450 1.00 0.36 N ATOM 590 CA ALA A 38 -7.708 1.365 5.383 1.00 0.37 C ATOM 591 C ALA A 38 -7.562 2.134 6.694 1.00 0.36 C ATOM 592 O ALA A 38 -7.079 3.266 6.712 1.00 0.41 O ATOM 593 CB ALA A 38 -9.177 1.202 5.027 1.00 0.39 C ATOM 0 H ALA A 38 -7.656 -0.720 5.173 1.00 0.36 H new ATOM 0 HA ALA A 38 -7.213 1.944 4.604 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -9.651 2.182 4.980 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.264 0.710 4.058 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -9.671 0.597 5.787 1.00 0.39 H new ATOM 599 N THR A 39 -7.988 1.511 7.791 1.00 0.33 N ATOM 600 CA THR A 39 -7.918 2.137 9.109 1.00 0.36 C ATOM 601 C THR A 39 -6.480 2.474 9.500 1.00 0.37 C ATOM 602 O THR A 39 -6.238 3.444 10.220 1.00 0.40 O ATOM 603 CB THR A 39 -8.534 1.232 10.190 1.00 0.39 C ATOM 604 OG1 THR A 39 -9.865 0.856 9.813 1.00 0.36 O ATOM 605 CG2 THR A 39 -8.566 1.937 11.538 1.00 0.51 C ATOM 0 H THR A 39 -8.386 0.572 7.793 1.00 0.33 H new ATOM 0 HA THR A 39 -8.491 3.062 9.044 1.00 0.36 H new ATOM 0 HB THR A 39 -7.914 0.340 10.280 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.833 0.041 9.269 1.00 0.36 H new ATOM 0 HG21 THR A 39 -9.006 1.275 12.284 1.00 0.51 H new ATOM 0 HG22 THR A 39 -7.550 2.197 11.837 1.00 0.51 H new ATOM 0 HG23 THR A 39 -9.164 2.845 11.460 1.00 0.51 H new ATOM 613 N ALA A 40 -5.530 1.669 9.030 1.00 0.38 N ATOM 614 CA ALA A 40 -4.119 1.897 9.337 1.00 0.43 C ATOM 615 C ALA A 40 -3.686 3.305 8.941 1.00 0.42 C ATOM 616 O ALA A 40 -2.839 3.910 9.599 1.00 0.47 O ATOM 617 CB ALA A 40 -3.246 0.864 8.639 1.00 0.47 C ATOM 0 H ALA A 40 -5.709 0.858 8.439 1.00 0.38 H new ATOM 0 HA ALA A 40 -3.994 1.794 10.415 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.199 1.050 8.879 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.524 -0.135 8.976 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.389 0.936 7.561 1.00 0.47 H new ATOM 623 N VAL A 41 -4.268 3.824 7.862 1.00 0.38 N ATOM 624 CA VAL A 41 -3.939 5.163 7.389 1.00 0.40 C ATOM 625 C VAL A 41 -5.056 6.150 7.708 1.00 0.41 C ATOM 626 O VAL A 41 -5.014 7.307 7.288 1.00 0.47 O ATOM 627 CB VAL A 41 -3.669 5.181 5.870 1.00 0.42 C ATOM 628 CG1 VAL A 41 -2.303 4.585 5.567 1.00 0.50 C ATOM 629 CG2 VAL A 41 -4.762 4.437 5.119 1.00 0.45 C ATOM 0 H VAL A 41 -4.968 3.338 7.301 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.031 5.464 7.911 1.00 0.40 H new ATOM 0 HB VAL A 41 -3.674 6.217 5.532 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -2.128 4.605 4.491 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -1.532 5.168 6.071 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -2.269 3.555 5.921 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -4.551 4.463 4.050 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -4.796 3.401 5.458 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -5.724 4.913 5.310 1.00 0.45 H new ATOM 639 N LYS A 42 -6.054 5.682 8.457 1.00 0.38 N ATOM 640 CA LYS A 42 -7.190 6.516 8.845 1.00 0.41 C ATOM 641 C LYS A 42 -7.929 7.041 7.619 1.00 0.43 C ATOM 642 O LYS A 42 -7.479 7.983 6.967 1.00 0.53 O ATOM 643 CB LYS A 42 -6.724 7.685 9.716 1.00 0.51 C ATOM 644 CG LYS A 42 -7.865 8.490 10.317 1.00 0.77 C ATOM 645 CD LYS A 42 -8.446 7.803 11.542 1.00 1.05 C ATOM 646 CE LYS A 42 -9.855 7.294 11.280 1.00 1.32 C ATOM 647 NZ LYS A 42 -10.888 8.265 11.735 1.00 2.14 N ATOM 0 H LYS A 42 -6.098 4.725 8.808 1.00 0.38 H new ATOM 0 HA LYS A 42 -7.878 5.897 9.421 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -6.099 7.300 10.521 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -6.100 8.347 9.116 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -7.507 9.482 10.591 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -8.647 8.628 9.571 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -7.805 6.970 11.832 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -8.460 8.501 12.379 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -9.980 7.103 10.214 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -9.999 6.343 11.793 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -11.835 7.882 11.539 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -10.785 8.428 12.757 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -10.767 9.164 11.227 1.00 2.14 H new ATOM 661 N LEU A 43 -9.069 6.429 7.313 1.00 0.41 N ATOM 662 CA LEU A 43 -9.866 6.839 6.162 1.00 0.49 C ATOM 663 C LEU A 43 -11.285 7.203 6.579 1.00 0.49 C ATOM 664 O LEU A 43 -11.723 6.877 7.683 1.00 0.52 O ATOM 665 CB LEU A 43 -9.901 5.724 5.117 1.00 0.56 C ATOM 666 CG LEU A 43 -8.812 5.806 4.048 1.00 0.63 C ATOM 667 CD1 LEU A 43 -8.558 4.435 3.440 1.00 0.78 C ATOM 668 CD2 LEU A 43 -9.199 6.805 2.968 1.00 1.03 C ATOM 0 H LEU A 43 -9.460 5.651 7.844 1.00 0.41 H new ATOM 0 HA LEU A 43 -9.398 7.723 5.728 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -9.816 4.765 5.628 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -10.874 5.738 4.625 1.00 0.56 H new ATOM 0 HG LEU A 43 -7.891 6.149 4.520 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -7.780 4.512 2.681 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -8.237 3.745 4.220 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -9.475 4.064 2.983 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -8.412 6.850 2.215 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -10.132 6.491 2.499 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -9.331 7.791 3.414 1.00 1.03 H new ATOM 680 N TYR A 44 -11.999 7.884 5.688 1.00 0.50 N ATOM 681 CA TYR A 44 -13.372 8.291 5.960 1.00 0.53 C ATOM 682 C TYR A 44 -14.295 7.075 5.992 1.00 0.48 C ATOM 683 O TYR A 44 -14.195 6.196 5.136 1.00 0.48 O ATOM 684 CB TYR A 44 -13.852 9.285 4.899 1.00 0.60 C ATOM 685 CG TYR A 44 -13.317 10.687 5.091 1.00 0.74 C ATOM 686 CD1 TYR A 44 -11.966 10.965 4.918 1.00 0.91 C ATOM 687 CD2 TYR A 44 -14.162 11.733 5.444 1.00 0.94 C ATOM 688 CE1 TYR A 44 -11.474 12.245 5.093 1.00 1.10 C ATOM 689 CE2 TYR A 44 -13.676 13.014 5.620 1.00 1.14 C ATOM 690 CZ TYR A 44 -12.335 13.266 5.442 1.00 1.16 C ATOM 691 OH TYR A 44 -11.844 14.540 5.620 1.00 1.41 O ATOM 0 H TYR A 44 -11.649 8.165 4.772 1.00 0.50 H new ATOM 0 HA TYR A 44 -13.399 8.776 6.936 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -13.554 8.924 3.915 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -14.941 9.317 4.911 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -11.290 10.169 4.643 1.00 0.91 H new ATOM 0 HD2 TYR A 44 -15.216 11.541 5.583 1.00 0.94 H new ATOM 0 HE1 TYR A 44 -10.421 12.445 4.957 1.00 1.10 H new ATOM 0 HE2 TYR A 44 -14.346 13.815 5.896 1.00 1.14 H new ATOM 0 HH TYR A 44 -12.578 15.143 5.862 1.00 1.41 H new ATOM 701 N PRO A 45 -15.209 7.003 6.978 1.00 0.62 N ATOM 702 CA PRO A 45 -16.146 5.878 7.107 1.00 0.65 C ATOM 703 C PRO A 45 -17.049 5.730 5.886 1.00 0.65 C ATOM 704 O PRO A 45 -17.760 4.734 5.748 1.00 0.70 O ATOM 705 CB PRO A 45 -16.974 6.233 8.347 1.00 0.86 C ATOM 706 CG PRO A 45 -16.142 7.218 9.094 1.00 1.32 C ATOM 707 CD PRO A 45 -15.405 7.999 8.048 1.00 0.87 C ATOM 0 HA PRO A 45 -15.623 4.926 7.191 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -17.938 6.660 8.070 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.179 5.350 8.952 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -16.763 7.872 9.706 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -15.449 6.714 9.768 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -15.982 8.857 7.702 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -14.456 8.383 8.423 1.00 0.87 H new ATOM 715 N ASP A 46 -17.018 6.724 5.003 1.00 0.67 N ATOM 716 CA ASP A 46 -17.831 6.698 3.793 1.00 0.74 C ATOM 717 C ASP A 46 -17.107 5.959 2.672 1.00 0.69 C ATOM 718 O ASP A 46 -17.737 5.312 1.834 1.00 0.76 O ATOM 719 CB ASP A 46 -18.170 8.121 3.346 1.00 0.89 C ATOM 720 CG ASP A 46 -19.177 8.146 2.212 1.00 1.26 C ATOM 721 OD1 ASP A 46 -20.194 7.428 2.305 1.00 1.77 O ATOM 722 OD2 ASP A 46 -18.947 8.884 1.231 1.00 2.01 O ATOM 0 H ASP A 46 -16.438 7.557 5.103 1.00 0.67 H new ATOM 0 HA ASP A 46 -18.757 6.168 4.018 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -18.567 8.680 4.193 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -17.258 8.627 3.029 1.00 0.89 H new ATOM 727 N GLN A 47 -15.782 6.061 2.663 1.00 0.63 N ATOM 728 CA GLN A 47 -14.970 5.398 1.648 1.00 0.68 C ATOM 729 C GLN A 47 -14.831 3.912 1.962 1.00 0.61 C ATOM 730 O GLN A 47 -14.869 3.071 1.064 1.00 0.65 O ATOM 731 CB GLN A 47 -13.584 6.044 1.565 1.00 0.75 C ATOM 732 CG GLN A 47 -13.612 7.562 1.641 1.00 0.78 C ATOM 733 CD GLN A 47 -13.045 8.216 0.397 1.00 1.21 C ATOM 734 OE1 GLN A 47 -13.464 7.735 -0.768 1.00 1.94 O flip ATOM 735 NE2 GLN A 47 -12.241 9.144 0.481 1.00 1.56 N flip ATOM 0 H GLN A 47 -15.247 6.596 3.347 1.00 0.63 H new ATOM 0 HA GLN A 47 -15.469 5.509 0.686 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -12.965 5.660 2.375 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -13.109 5.744 0.631 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -14.639 7.896 1.787 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -13.043 7.890 2.511 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -11.946 9.482 1.397 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -11.869 9.575 -0.365 1.00 1.56 H new ATOM 744 N VAL A 48 -14.669 3.598 3.243 1.00 0.57 N ATOM 745 CA VAL A 48 -14.527 2.216 3.683 1.00 0.57 C ATOM 746 C VAL A 48 -15.793 1.419 3.390 1.00 0.55 C ATOM 747 O VAL A 48 -15.729 0.298 2.883 1.00 0.51 O ATOM 748 CB VAL A 48 -14.218 2.136 5.191 1.00 0.61 C ATOM 749 CG1 VAL A 48 -13.790 0.728 5.575 1.00 0.88 C ATOM 750 CG2 VAL A 48 -13.149 3.150 5.571 1.00 0.75 C ATOM 0 H VAL A 48 -14.633 4.285 3.996 1.00 0.57 H new ATOM 0 HA VAL A 48 -13.693 1.788 3.128 1.00 0.57 H new ATOM 0 HB VAL A 48 -15.127 2.377 5.743 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -13.576 0.691 6.643 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -14.592 0.028 5.341 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -12.895 0.455 5.016 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -12.944 3.079 6.639 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -12.237 2.944 5.012 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -13.500 4.155 5.335 1.00 0.75 H new ATOM 760 N GLU A 49 -16.942 2.005 3.713 1.00 0.60 N ATOM 761 CA GLU A 49 -18.228 1.355 3.483 1.00 0.63 C ATOM 762 C GLU A 49 -18.435 1.065 1.999 1.00 0.57 C ATOM 763 O GLU A 49 -18.973 0.021 1.629 1.00 0.57 O ATOM 764 CB GLU A 49 -19.364 2.236 4.006 1.00 0.73 C ATOM 765 CG GLU A 49 -20.065 1.664 5.229 1.00 0.87 C ATOM 766 CD GLU A 49 -21.213 2.535 5.703 1.00 1.55 C ATOM 767 OE1 GLU A 49 -21.930 3.092 4.844 1.00 1.73 O ATOM 768 OE2 GLU A 49 -21.396 2.661 6.932 1.00 2.44 O ATOM 0 H GLU A 49 -17.009 2.931 4.136 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.232 0.408 4.022 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -18.965 3.220 4.253 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.097 2.379 3.212 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -20.442 0.668 4.995 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -19.343 1.550 6.037 1.00 0.87 H new ATOM 775 N GLN A 50 -18.006 1.999 1.156 1.00 0.56 N ATOM 776 CA GLN A 50 -18.140 1.852 -0.290 1.00 0.55 C ATOM 777 C GLN A 50 -17.401 0.613 -0.788 1.00 0.48 C ATOM 778 O GLN A 50 -17.829 -0.033 -1.745 1.00 0.56 O ATOM 779 CB GLN A 50 -17.604 3.097 -1.000 1.00 0.59 C ATOM 780 CG GLN A 50 -17.874 3.110 -2.496 1.00 0.91 C ATOM 781 CD GLN A 50 -16.634 2.809 -3.315 1.00 1.33 C ATOM 782 OE1 GLN A 50 -16.478 1.708 -3.844 1.00 2.12 O ATOM 783 NE2 GLN A 50 -15.745 3.789 -3.424 1.00 1.46 N ATOM 0 H GLN A 50 -17.561 2.868 1.450 1.00 0.56 H new ATOM 0 HA GLN A 50 -19.199 1.735 -0.519 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -18.053 3.983 -0.551 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.529 3.165 -0.833 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -18.646 2.376 -2.729 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -18.266 4.086 -2.782 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -15.916 4.686 -2.969 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -14.891 3.645 -3.963 1.00 1.46 H new ATOM 792 N ILE A 51 -16.290 0.288 -0.135 1.00 0.40 N ATOM 793 CA ILE A 51 -15.491 -0.871 -0.516 1.00 0.38 C ATOM 794 C ILE A 51 -16.166 -2.172 -0.094 1.00 0.41 C ATOM 795 O ILE A 51 -16.291 -3.100 -0.892 1.00 0.47 O ATOM 796 CB ILE A 51 -14.082 -0.813 0.106 1.00 0.35 C ATOM 797 CG1 ILE A 51 -13.427 0.539 -0.184 1.00 0.39 C ATOM 798 CG2 ILE A 51 -13.221 -1.949 -0.427 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.369 0.927 0.826 1.00 0.42 C ATOM 0 H ILE A 51 -15.923 0.811 0.660 1.00 0.40 H new ATOM 0 HA ILE A 51 -15.403 -0.847 -1.602 1.00 0.38 H new ATOM 0 HB ILE A 51 -14.173 -0.927 1.186 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.977 0.510 -1.176 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -14.197 1.310 -0.205 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -12.229 -1.895 0.021 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.682 -2.904 -0.174 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -13.135 -1.863 -1.510 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.948 1.896 0.558 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.818 0.988 1.817 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.578 0.177 0.831 1.00 0.42 H new ATOM 811 N SER A 52 -16.596 -2.232 1.163 1.00 0.43 N ATOM 812 CA SER A 52 -17.257 -3.421 1.693 1.00 0.50 C ATOM 813 C SER A 52 -18.433 -3.838 0.815 1.00 0.52 C ATOM 814 O SER A 52 -18.756 -5.023 0.716 1.00 0.59 O ATOM 815 CB SER A 52 -17.742 -3.167 3.122 1.00 0.57 C ATOM 816 OG SER A 52 -18.966 -2.452 3.125 1.00 1.42 O ATOM 0 H SER A 52 -16.499 -1.470 1.834 1.00 0.43 H new ATOM 0 HA SER A 52 -16.529 -4.232 1.698 1.00 0.50 H new ATOM 0 HB2 SER A 52 -17.871 -4.117 3.640 1.00 0.57 H new ATOM 0 HB3 SER A 52 -16.987 -2.604 3.671 1.00 0.57 H new ATOM 0 HG SER A 52 -18.868 -1.633 2.596 1.00 1.42 H new ATOM 822 N SER A 53 -19.069 -2.858 0.180 1.00 0.54 N ATOM 823 CA SER A 53 -20.212 -3.121 -0.689 1.00 0.60 C ATOM 824 C SER A 53 -19.838 -4.084 -1.813 1.00 0.63 C ATOM 825 O SER A 53 -20.303 -5.224 -1.848 1.00 0.70 O ATOM 826 CB SER A 53 -20.743 -1.814 -1.278 1.00 0.68 C ATOM 827 OG SER A 53 -22.050 -1.536 -0.808 1.00 0.93 O ATOM 0 H SER A 53 -18.812 -1.873 0.251 1.00 0.54 H new ATOM 0 HA SER A 53 -20.992 -3.585 -0.086 1.00 0.60 H new ATOM 0 HB2 SER A 53 -20.076 -0.994 -1.012 1.00 0.68 H new ATOM 0 HB3 SER A 53 -20.751 -1.879 -2.366 1.00 0.68 H new ATOM 0 HG SER A 53 -22.366 -0.694 -1.198 1.00 0.93 H new ATOM 833 N GLN A 54 -18.998 -3.616 -2.732 1.00 0.67 N ATOM 834 CA GLN A 54 -18.564 -4.430 -3.862 1.00 0.80 C ATOM 835 C GLN A 54 -17.813 -5.672 -3.393 1.00 0.81 C ATOM 836 O GLN A 54 -17.885 -6.727 -4.024 1.00 0.97 O ATOM 837 CB GLN A 54 -17.672 -3.608 -4.795 1.00 0.94 C ATOM 838 CG GLN A 54 -18.410 -3.043 -5.997 1.00 1.35 C ATOM 839 CD GLN A 54 -18.648 -4.084 -7.073 1.00 1.75 C ATOM 840 OE1 GLN A 54 -17.652 -4.291 -7.925 1.00 2.48 O flip ATOM 841 NE2 GLN A 54 -19.715 -4.695 -7.137 1.00 2.07 N flip ATOM 0 H GLN A 54 -18.604 -2.675 -2.716 1.00 0.67 H new ATOM 0 HA GLN A 54 -19.454 -4.752 -4.403 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -17.230 -2.787 -4.231 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -16.851 -4.234 -5.144 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -19.367 -2.635 -5.673 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -17.836 -2.216 -6.416 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -20.454 -4.503 -6.460 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -19.860 -5.393 -7.867 1.00 2.07 H new ATOM 850 N LYS A 55 -17.095 -5.541 -2.280 1.00 0.68 N ATOM 851 CA LYS A 55 -16.325 -6.650 -1.728 1.00 0.73 C ATOM 852 C LYS A 55 -17.224 -7.837 -1.403 1.00 0.86 C ATOM 853 O LYS A 55 -16.822 -8.991 -1.553 1.00 1.12 O ATOM 854 CB LYS A 55 -15.580 -6.203 -0.466 1.00 0.65 C ATOM 855 CG LYS A 55 -14.662 -7.271 0.107 1.00 0.74 C ATOM 856 CD LYS A 55 -14.591 -7.188 1.624 1.00 0.76 C ATOM 857 CE LYS A 55 -15.787 -7.861 2.278 1.00 1.36 C ATOM 858 NZ LYS A 55 -16.052 -7.320 3.640 1.00 1.77 N ATOM 0 H LYS A 55 -17.031 -4.676 -1.743 1.00 0.68 H new ATOM 0 HA LYS A 55 -15.602 -6.963 -2.482 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -14.992 -5.315 -0.697 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -16.307 -5.915 0.293 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -15.020 -8.257 -0.188 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.662 -7.156 -0.312 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -13.672 -7.660 1.972 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -14.549 -6.143 1.930 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -16.669 -7.720 1.653 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -15.610 -8.935 2.342 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -16.031 -8.096 4.332 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -15.323 -6.619 3.883 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -16.988 -6.866 3.657 1.00 1.77 H new ATOM 872 N GLN A 56 -18.441 -7.547 -0.957 1.00 0.79 N ATOM 873 CA GLN A 56 -19.397 -8.592 -0.610 1.00 0.97 C ATOM 874 C GLN A 56 -19.701 -9.476 -1.815 1.00 1.12 C ATOM 875 O GLN A 56 -19.903 -10.683 -1.675 1.00 1.37 O ATOM 876 CB GLN A 56 -20.689 -7.972 -0.078 1.00 0.96 C ATOM 877 CG GLN A 56 -20.897 -8.189 1.411 1.00 1.58 C ATOM 878 CD GLN A 56 -20.630 -6.937 2.225 1.00 2.14 C ATOM 879 OE1 GLN A 56 -21.403 -5.981 2.186 1.00 2.41 O ATOM 880 NE2 GLN A 56 -19.529 -6.937 2.966 1.00 3.02 N ATOM 0 H GLN A 56 -18.789 -6.597 -0.827 1.00 0.79 H new ATOM 0 HA GLN A 56 -18.952 -9.213 0.168 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -20.680 -6.902 -0.283 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -21.535 -8.394 -0.620 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -21.920 -8.521 1.587 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -20.239 -8.988 1.754 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -18.916 -7.752 2.968 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -19.296 -6.122 3.533 1.00 3.02 H new ATOM 889 N ARG A 57 -19.730 -8.870 -2.999 1.00 1.15 N ATOM 890 CA ARG A 57 -20.016 -9.604 -4.224 1.00 1.46 C ATOM 891 C ARG A 57 -18.727 -10.058 -4.903 1.00 1.58 C ATOM 892 O ARG A 57 -18.359 -9.552 -5.963 1.00 1.74 O ATOM 893 CB ARG A 57 -20.836 -8.736 -5.181 1.00 1.66 C ATOM 894 CG ARG A 57 -21.940 -7.950 -4.492 1.00 1.38 C ATOM 895 CD ARG A 57 -22.758 -7.144 -5.488 1.00 1.67 C ATOM 896 NE ARG A 57 -23.784 -7.957 -6.134 1.00 1.89 N ATOM 897 CZ ARG A 57 -24.535 -7.531 -7.146 1.00 2.38 C ATOM 898 NH1 ARG A 57 -24.378 -6.304 -7.623 1.00 2.83 N ATOM 899 NH2 ARG A 57 -25.446 -8.333 -7.679 1.00 2.99 N ATOM 0 H ARG A 57 -19.559 -7.874 -3.134 1.00 1.15 H new ATOM 0 HA ARG A 57 -20.594 -10.490 -3.962 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -20.169 -8.040 -5.690 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -21.278 -9.372 -5.948 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -22.594 -8.636 -3.954 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -21.503 -7.279 -3.752 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -23.229 -6.305 -4.976 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -22.096 -6.725 -6.246 1.00 1.67 H new ATOM 0 HE ARG A 57 -23.934 -8.905 -5.790 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -23.680 -5.683 -7.214 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -24.956 -5.981 -8.399 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -25.571 -9.277 -7.313 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -26.022 -8.006 -8.455 1.00 2.99 H new ATOM 913 N GLY A 58 -18.058 -11.026 -4.280 1.00 1.74 N ATOM 914 CA GLY A 58 -16.819 -11.566 -4.820 1.00 2.05 C ATOM 915 C GLY A 58 -15.906 -10.507 -5.409 1.00 1.56 C ATOM 916 O GLY A 58 -15.805 -10.377 -6.629 1.00 1.61 O ATOM 0 H GLY A 58 -18.356 -11.450 -3.401 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -16.287 -12.095 -4.029 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -17.056 -12.300 -5.590 1.00 2.05 H new ATOM 920 N ARG A 59 -15.236 -9.752 -4.545 1.00 1.40 N ATOM 921 CA ARG A 59 -14.323 -8.704 -4.993 1.00 1.48 C ATOM 922 C ARG A 59 -13.162 -8.539 -4.018 1.00 1.02 C ATOM 923 O ARG A 59 -13.279 -8.863 -2.837 1.00 1.47 O ATOM 924 CB ARG A 59 -15.066 -7.376 -5.148 1.00 2.32 C ATOM 925 CG ARG A 59 -15.805 -7.240 -6.468 1.00 3.01 C ATOM 926 CD ARG A 59 -14.856 -6.907 -7.608 1.00 3.79 C ATOM 927 NE ARG A 59 -14.878 -5.485 -7.944 1.00 4.29 N ATOM 928 CZ ARG A 59 -13.986 -4.901 -8.739 1.00 4.87 C ATOM 929 NH1 ARG A 59 -13.008 -5.615 -9.281 1.00 5.10 N ATOM 930 NH2 ARG A 59 -14.072 -3.602 -8.994 1.00 5.55 N ATOM 0 H ARG A 59 -15.307 -9.845 -3.532 1.00 1.40 H new ATOM 0 HA ARG A 59 -13.922 -9.001 -5.962 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -15.779 -7.271 -4.330 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -14.352 -6.558 -5.055 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -16.329 -8.170 -6.690 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -16.561 -6.460 -6.384 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -13.842 -7.198 -7.332 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -15.127 -7.491 -8.487 1.00 3.79 H new ATOM 0 HE ARG A 59 -15.619 -4.908 -7.546 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -12.939 -6.614 -9.088 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -12.325 -5.165 -9.890 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -14.823 -3.050 -8.580 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -13.387 -3.156 -9.604 1.00 5.55 H new ATOM 944 N SER A 60 -12.042 -8.030 -4.523 1.00 0.87 N ATOM 945 CA SER A 60 -10.858 -7.818 -3.698 1.00 0.54 C ATOM 946 C SER A 60 -10.903 -6.448 -3.029 1.00 0.42 C ATOM 947 O SER A 60 -10.770 -5.419 -3.691 1.00 0.40 O ATOM 948 CB SER A 60 -9.592 -7.946 -4.546 1.00 0.77 C ATOM 949 OG SER A 60 -9.445 -9.263 -5.051 1.00 1.51 O ATOM 0 H SER A 60 -11.930 -7.757 -5.499 1.00 0.87 H new ATOM 0 HA SER A 60 -10.843 -8.582 -2.920 1.00 0.54 H new ATOM 0 HB2 SER A 60 -9.633 -7.238 -5.374 1.00 0.77 H new ATOM 0 HB3 SER A 60 -8.721 -7.684 -3.946 1.00 0.77 H new ATOM 0 HG SER A 60 -8.629 -9.317 -5.591 1.00 1.51 H new ATOM 955 N ALA A 61 -11.090 -6.445 -1.713 1.00 0.38 N ATOM 956 CA ALA A 61 -11.156 -5.202 -0.950 1.00 0.33 C ATOM 957 C ALA A 61 -9.857 -4.413 -1.062 1.00 0.29 C ATOM 958 O ALA A 61 -9.873 -3.184 -1.120 1.00 0.27 O ATOM 959 CB ALA A 61 -11.469 -5.497 0.508 1.00 0.39 C ATOM 0 H ALA A 61 -11.199 -7.290 -1.152 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.956 -4.592 -1.370 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.516 -4.562 1.067 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -12.428 -6.009 0.578 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.688 -6.131 0.927 1.00 0.39 H new ATOM 965 N SER A 62 -8.734 -5.125 -1.089 1.00 0.33 N ATOM 966 CA SER A 62 -7.428 -4.486 -1.191 1.00 0.34 C ATOM 967 C SER A 62 -7.274 -3.765 -2.527 1.00 0.31 C ATOM 968 O SER A 62 -6.749 -2.654 -2.586 1.00 0.31 O ATOM 969 CB SER A 62 -6.316 -5.523 -1.029 1.00 0.42 C ATOM 970 OG SER A 62 -5.999 -5.722 0.338 1.00 0.66 O ATOM 0 H SER A 62 -8.703 -6.143 -1.042 1.00 0.33 H new ATOM 0 HA SER A 62 -7.350 -3.750 -0.391 1.00 0.34 H new ATOM 0 HB2 SER A 62 -6.628 -6.468 -1.474 1.00 0.42 H new ATOM 0 HB3 SER A 62 -5.427 -5.195 -1.568 1.00 0.42 H new ATOM 0 HG SER A 62 -5.287 -6.391 0.415 1.00 0.66 H new ATOM 976 N ASN A 63 -7.736 -4.407 -3.596 1.00 0.32 N ATOM 977 CA ASN A 63 -7.648 -3.829 -4.933 1.00 0.32 C ATOM 978 C ASN A 63 -8.427 -2.519 -5.016 1.00 0.31 C ATOM 979 O ASN A 63 -7.915 -1.512 -5.501 1.00 0.33 O ATOM 980 CB ASN A 63 -8.175 -4.818 -5.976 1.00 0.35 C ATOM 981 CG ASN A 63 -7.062 -5.431 -6.803 1.00 0.92 C ATOM 982 OD1 ASN A 63 -6.144 -4.738 -7.240 1.00 1.40 O ATOM 983 ND2 ASN A 63 -7.139 -6.739 -7.023 1.00 1.79 N ATOM 0 H ASN A 63 -8.175 -5.327 -3.562 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.599 -3.618 -5.140 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -8.730 -5.610 -5.474 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.876 -4.307 -6.636 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -6.419 -7.207 -7.573 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -7.918 -7.275 -6.641 1.00 1.79 H new ATOM 990 N GLU A 64 -9.669 -2.543 -4.539 1.00 0.31 N ATOM 991 CA GLU A 64 -10.520 -1.359 -4.556 1.00 0.33 C ATOM 992 C GLU A 64 -9.950 -0.267 -3.656 1.00 0.31 C ATOM 993 O GLU A 64 -9.886 0.900 -4.044 1.00 0.34 O ATOM 994 CB GLU A 64 -11.937 -1.719 -4.106 1.00 0.37 C ATOM 995 CG GLU A 64 -12.912 -1.902 -5.256 1.00 0.87 C ATOM 996 CD GLU A 64 -13.746 -0.662 -5.518 1.00 1.10 C ATOM 997 OE1 GLU A 64 -13.167 0.444 -5.557 1.00 1.72 O ATOM 998 OE2 GLU A 64 -14.975 -0.798 -5.683 1.00 1.66 O ATOM 0 H GLU A 64 -10.108 -3.371 -4.136 1.00 0.31 H new ATOM 0 HA GLU A 64 -10.555 -0.981 -5.578 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.901 -2.638 -3.521 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -12.310 -0.936 -3.446 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -12.359 -2.160 -6.159 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -13.573 -2.740 -5.037 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.542 -0.657 -2.453 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.973 0.280 -1.491 1.00 0.29 C ATOM 1007 C PHE A 65 -7.756 0.990 -2.082 1.00 0.30 C ATOM 1008 O PHE A 65 -7.523 2.167 -1.813 1.00 0.33 O ATOM 1009 CB PHE A 65 -8.594 -0.460 -0.201 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.449 0.161 0.556 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.611 1.364 1.223 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -6.213 -0.465 0.598 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -6.560 1.932 1.918 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -5.159 0.100 1.291 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.333 1.299 1.953 1.00 0.48 C ATOM 0 H PHE A 65 -9.595 -1.620 -2.120 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.722 1.036 -1.255 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -9.467 -0.500 0.451 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -8.335 -1.489 -0.449 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.568 1.863 1.200 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -6.072 -1.404 0.084 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -6.698 2.871 2.434 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -4.200 -0.396 1.315 1.00 0.42 H new ATOM 0 HZ PHE A 65 -4.511 1.741 2.497 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.987 0.264 -2.886 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.793 0.822 -3.515 1.00 0.35 C ATOM 1027 C LEU A 66 -6.155 1.941 -4.489 1.00 0.37 C ATOM 1028 O LEU A 66 -5.461 2.954 -4.570 1.00 0.42 O ATOM 1029 CB LEU A 66 -5.018 -0.278 -4.247 1.00 0.39 C ATOM 1030 CG LEU A 66 -3.524 -0.364 -3.916 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.806 0.908 -4.342 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -3.316 -0.625 -2.431 1.00 0.61 C ATOM 0 H LEU A 66 -7.168 -0.713 -3.118 1.00 0.32 H new ATOM 0 HA LEU A 66 -5.164 1.243 -2.730 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -5.479 -1.238 -4.016 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -5.126 -0.122 -5.320 1.00 0.39 H new ATOM 0 HG LEU A 66 -3.099 -1.200 -4.472 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.747 0.827 -4.098 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -2.921 1.048 -5.417 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -3.235 1.761 -3.817 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -2.249 -0.682 -2.218 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -3.758 0.187 -1.853 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -3.792 -1.567 -2.157 1.00 0.61 H new ATOM 1044 N ASN A 67 -7.242 1.748 -5.229 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.695 2.737 -6.203 1.00 0.42 C ATOM 1046 C ASN A 67 -8.072 4.055 -5.528 1.00 0.41 C ATOM 1047 O ASN A 67 -7.690 5.129 -5.991 1.00 0.66 O ATOM 1048 CB ASN A 67 -8.893 2.196 -6.987 1.00 0.47 C ATOM 1049 CG ASN A 67 -8.477 1.468 -8.250 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -7.846 2.046 -9.134 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -8.832 0.191 -8.343 1.00 1.48 N ATOM 0 H ASN A 67 -7.827 0.914 -5.173 1.00 0.37 H new ATOM 0 HA ASN A 67 -6.869 2.930 -6.888 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -9.463 1.518 -6.352 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.555 3.021 -7.248 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -8.581 -0.349 -9.171 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -9.355 -0.249 -7.586 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.822 3.966 -4.433 1.00 0.33 N ATOM 1059 CA ILE A 68 -9.259 5.154 -3.703 1.00 0.35 C ATOM 1060 C ILE A 68 -8.105 5.816 -2.954 1.00 0.35 C ATOM 1061 O ILE A 68 -7.896 7.025 -3.063 1.00 0.41 O ATOM 1062 CB ILE A 68 -10.376 4.814 -2.695 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.467 3.979 -3.370 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.963 6.088 -2.105 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -12.335 3.217 -2.393 1.00 0.52 C ATOM 0 H ILE A 68 -9.140 3.084 -4.031 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.642 5.849 -4.450 1.00 0.35 H new ATOM 0 HB ILE A 68 -9.946 4.226 -1.884 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -12.098 4.636 -3.969 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -11.000 3.273 -4.057 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.750 5.832 -1.396 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -10.180 6.646 -1.592 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -11.381 6.700 -2.904 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -13.086 2.648 -2.941 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.715 2.535 -1.811 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.830 3.919 -1.722 1.00 0.52 H new ATOM 1077 N TRP A 69 -7.360 5.019 -2.196 1.00 0.35 N ATOM 1078 CA TRP A 69 -6.231 5.528 -1.423 1.00 0.38 C ATOM 1079 C TRP A 69 -5.077 5.925 -2.339 1.00 0.45 C ATOM 1080 O TRP A 69 -4.145 6.612 -1.919 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.766 4.473 -0.413 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.676 4.950 0.498 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.697 6.061 1.291 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.404 4.329 0.709 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.515 6.168 1.983 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.704 5.116 1.642 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.786 3.182 0.199 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.421 4.795 2.076 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -1.512 2.863 0.632 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.842 3.667 1.561 1.00 0.63 C ATOM 0 H TRP A 69 -7.517 4.016 -2.100 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.559 6.417 -0.884 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.619 4.158 0.189 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -5.416 3.594 -0.954 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.522 6.754 1.364 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.279 6.909 2.643 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -3.295 2.557 -0.520 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -0.901 5.413 2.793 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -1.026 1.979 0.247 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.153 3.392 1.878 1.00 0.63 H new ATOM 1101 N GLY A 70 -5.149 5.493 -3.594 1.00 0.59 N ATOM 1102 CA GLY A 70 -4.104 5.815 -4.549 1.00 0.74 C ATOM 1103 C GLY A 70 -4.648 6.469 -5.804 1.00 0.86 C ATOM 1104 O GLY A 70 -4.868 5.801 -6.814 1.00 1.08 O ATOM 0 H GLY A 70 -5.911 4.927 -3.967 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -3.380 6.481 -4.080 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -3.570 4.904 -4.820 1.00 0.74 H new ATOM 1108 N GLY A 71 -4.863 7.780 -5.739 1.00 0.96 N ATOM 1109 CA GLY A 71 -5.381 8.504 -6.885 1.00 1.16 C ATOM 1110 C GLY A 71 -5.923 9.871 -6.515 1.00 1.26 C ATOM 1111 O GLY A 71 -5.718 10.844 -7.242 1.00 1.54 O ATOM 0 H GLY A 71 -4.688 8.353 -4.913 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -4.589 8.619 -7.625 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -6.172 7.918 -7.353 1.00 1.16 H new ATOM 1115 N GLN A 72 -6.615 9.947 -5.382 1.00 1.15 N ATOM 1116 CA GLN A 72 -7.192 11.205 -4.919 1.00 1.31 C ATOM 1117 C GLN A 72 -6.572 11.642 -3.595 1.00 1.31 C ATOM 1118 O GLN A 72 -7.057 12.570 -2.949 1.00 1.64 O ATOM 1119 CB GLN A 72 -8.705 11.069 -4.762 1.00 1.35 C ATOM 1120 CG GLN A 72 -9.112 9.932 -3.844 1.00 1.21 C ATOM 1121 CD GLN A 72 -10.500 10.116 -3.263 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -10.679 10.132 -2.046 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -11.493 10.256 -4.133 1.00 1.99 N ATOM 0 H GLN A 72 -6.790 9.152 -4.767 1.00 1.15 H new ATOM 0 HA GLN A 72 -6.975 11.967 -5.668 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -9.109 12.004 -4.373 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -9.153 10.913 -5.743 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -9.076 8.993 -4.397 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -8.390 9.851 -3.031 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -11.300 10.237 -5.134 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -12.449 10.383 -3.800 1.00 1.99 H new ATOM 1132 N TYR A 73 -5.498 10.967 -3.197 1.00 1.08 N ATOM 1133 CA TYR A 73 -4.817 11.286 -1.948 1.00 1.16 C ATOM 1134 C TYR A 73 -3.370 11.694 -2.203 1.00 1.24 C ATOM 1135 O TYR A 73 -2.710 12.254 -1.326 1.00 1.49 O ATOM 1136 CB TYR A 73 -4.871 10.088 -0.997 1.00 1.13 C ATOM 1137 CG TYR A 73 -6.091 10.081 -0.103 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -6.246 11.028 0.903 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -7.087 9.126 -0.264 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -7.361 11.024 1.720 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -8.205 9.116 0.549 1.00 0.97 C ATOM 1142 CZ TYR A 73 -8.337 10.066 1.539 1.00 1.27 C ATOM 1143 OH TYR A 73 -9.448 10.059 2.351 1.00 1.38 O ATOM 0 H TYR A 73 -5.082 10.197 -3.721 1.00 1.08 H new ATOM 0 HA TYR A 73 -5.330 12.129 -1.486 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -4.854 9.169 -1.582 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -3.975 10.087 -0.376 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -5.483 11.779 1.048 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -6.986 8.379 -1.037 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -7.468 11.767 2.496 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -8.971 8.368 0.409 1.00 0.97 H new ATOM 0 HH TYR A 73 -9.648 10.974 2.640 1.00 1.38 H new ATOM 1153 N ASN A 74 -2.884 11.412 -3.410 1.00 1.23 N ATOM 1154 CA ASN A 74 -1.514 11.750 -3.789 1.00 1.34 C ATOM 1155 C ASN A 74 -0.515 11.231 -2.757 1.00 0.95 C ATOM 1156 O ASN A 74 0.384 11.955 -2.329 1.00 1.38 O ATOM 1157 CB ASN A 74 -1.365 13.265 -3.945 1.00 1.91 C ATOM 1158 CG ASN A 74 -2.396 13.854 -4.887 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -2.011 14.040 -6.145 1.00 3.01 O flip ATOM 1160 ND2 ASN A 74 -3.527 14.138 -4.490 1.00 3.10 N flip ATOM 0 H ASN A 74 -3.420 10.949 -4.144 1.00 1.23 H new ATOM 0 HA ASN A 74 -1.301 11.270 -4.744 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -1.457 13.739 -2.968 1.00 1.91 H new ATOM 0 HB3 ASN A 74 -0.366 13.493 -4.316 1.00 1.91 H new ATOM 0 HD21 ASN A 74 -3.780 13.978 -3.515 1.00 3.10 H new ATOM 0 HD22 ASN A 74 -4.210 14.533 -5.136 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.678 9.971 -2.364 1.00 0.64 N ATOM 1168 CA HIS A 75 0.208 9.357 -1.382 1.00 0.65 C ATOM 1169 C HIS A 75 1.540 8.969 -2.020 1.00 0.56 C ATOM 1170 O HIS A 75 1.867 9.425 -3.116 1.00 1.01 O ATOM 1171 CB HIS A 75 -0.463 8.129 -0.762 1.00 1.06 C ATOM 1172 CG HIS A 75 -0.684 8.255 0.713 1.00 1.69 C ATOM 1173 ND1 HIS A 75 -1.758 8.687 1.414 1.00 2.23 N flip ATOM 1174 CD2 HIS A 75 0.272 7.918 1.649 1.00 2.43 C flip ATOM 1175 CE1 HIS A 75 -1.434 8.605 2.746 1.00 2.72 C flip ATOM 1176 NE2 HIS A 75 -0.205 8.138 2.861 1.00 2.80 N flip ATOM 0 H HIS A 75 -1.415 9.356 -2.710 1.00 0.64 H new ATOM 0 HA HIS A 75 0.407 10.085 -0.596 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -1.422 7.961 -1.253 1.00 1.06 H new ATOM 0 HB3 HIS A 75 0.153 7.251 -0.956 1.00 1.06 H new ATOM 0 HD1 HIS A 75 -2.643 9.013 1.025 1.00 2.23 H new ATOM 0 HD2 HIS A 75 1.257 7.534 1.426 1.00 2.43 H new ATOM 0 HE1 HIS A 75 -2.080 8.878 3.567 1.00 2.72 H new ATOM 1185 N THR A 76 2.304 8.123 -1.332 1.00 0.64 N ATOM 1186 CA THR A 76 3.598 7.681 -1.837 1.00 0.64 C ATOM 1187 C THR A 76 3.895 6.245 -1.421 1.00 0.51 C ATOM 1188 O THR A 76 3.340 5.742 -0.443 1.00 0.43 O ATOM 1189 CB THR A 76 4.736 8.595 -1.342 1.00 0.89 C ATOM 1190 OG1 THR A 76 5.995 7.922 -1.461 1.00 1.17 O ATOM 1191 CG2 THR A 76 4.512 9.007 0.106 1.00 1.07 C ATOM 0 H THR A 76 2.048 7.732 -0.425 1.00 0.64 H new ATOM 0 HA THR A 76 3.545 7.734 -2.924 1.00 0.64 H new ATOM 0 HB THR A 76 4.744 9.492 -1.961 1.00 0.89 H new ATOM 0 HG1 THR A 76 6.712 8.511 -1.146 1.00 1.17 H new ATOM 0 HG21 THR A 76 5.329 9.651 0.431 1.00 1.07 H new ATOM 0 HG22 THR A 76 3.569 9.547 0.189 1.00 1.07 H new ATOM 0 HG23 THR A 76 4.478 8.118 0.736 1.00 1.07 H new ATOM 1199 N VAL A 77 4.775 5.590 -2.173 1.00 0.53 N ATOM 1200 CA VAL A 77 5.149 4.206 -1.897 1.00 0.49 C ATOM 1201 C VAL A 77 5.836 4.069 -0.543 1.00 0.40 C ATOM 1202 O VAL A 77 5.865 2.985 0.039 1.00 0.39 O ATOM 1203 CB VAL A 77 6.084 3.652 -2.987 1.00 0.61 C ATOM 1204 CG1 VAL A 77 5.303 3.334 -4.251 1.00 1.22 C ATOM 1205 CG2 VAL A 77 7.208 4.637 -3.280 1.00 1.25 C ATOM 0 H VAL A 77 5.244 5.998 -2.982 1.00 0.53 H new ATOM 0 HA VAL A 77 4.223 3.631 -1.887 1.00 0.49 H new ATOM 0 HB VAL A 77 6.529 2.727 -2.620 1.00 0.61 H new ATOM 0 HG11 VAL A 77 5.982 2.944 -5.009 1.00 1.22 H new ATOM 0 HG12 VAL A 77 4.539 2.589 -4.029 1.00 1.22 H new ATOM 0 HG13 VAL A 77 4.827 4.241 -4.623 1.00 1.22 H new ATOM 0 HG21 VAL A 77 7.858 4.228 -4.053 1.00 1.25 H new ATOM 0 HG22 VAL A 77 6.784 5.580 -3.624 1.00 1.25 H new ATOM 0 HG23 VAL A 77 7.787 4.809 -2.373 1.00 1.25 H new ATOM 1215 N GLN A 78 6.393 5.168 -0.047 1.00 0.42 N ATOM 1216 CA GLN A 78 7.076 5.158 1.242 1.00 0.42 C ATOM 1217 C GLN A 78 6.136 4.698 2.352 1.00 0.37 C ATOM 1218 O GLN A 78 6.442 3.763 3.092 1.00 0.35 O ATOM 1219 CB GLN A 78 7.628 6.549 1.563 1.00 0.54 C ATOM 1220 CG GLN A 78 8.919 6.520 2.364 1.00 1.05 C ATOM 1221 CD GLN A 78 9.928 7.544 1.880 1.00 1.49 C ATOM 1222 OE1 GLN A 78 10.059 7.784 0.680 1.00 2.24 O ATOM 1223 NE2 GLN A 78 10.648 8.153 2.815 1.00 1.87 N ATOM 0 H GLN A 78 6.386 6.074 -0.515 1.00 0.42 H new ATOM 0 HA GLN A 78 7.906 4.454 1.180 1.00 0.42 H new ATOM 0 HB2 GLN A 78 7.800 7.087 0.631 1.00 0.54 H new ATOM 0 HB3 GLN A 78 6.877 7.109 2.120 1.00 0.54 H new ATOM 0 HG2 GLN A 78 8.695 6.705 3.415 1.00 1.05 H new ATOM 0 HG3 GLN A 78 9.359 5.525 2.302 1.00 1.05 H new ATOM 0 HE21 GLN A 78 10.506 7.923 3.799 1.00 1.87 H new ATOM 0 HE22 GLN A 78 11.343 8.851 2.550 1.00 1.87 H new ATOM 1232 N THR A 79 4.990 5.365 2.463 1.00 0.42 N ATOM 1233 CA THR A 79 3.997 5.028 3.478 1.00 0.45 C ATOM 1234 C THR A 79 3.583 3.561 3.389 1.00 0.39 C ATOM 1235 O THR A 79 3.270 2.933 4.400 1.00 0.40 O ATOM 1236 CB THR A 79 2.742 5.911 3.348 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.122 7.275 3.125 1.00 0.65 O ATOM 1238 CG2 THR A 79 1.882 5.817 4.599 1.00 0.71 C ATOM 0 H THR A 79 4.726 6.144 1.860 1.00 0.42 H new ATOM 0 HA THR A 79 4.465 5.209 4.446 1.00 0.45 H new ATOM 0 HB THR A 79 2.160 5.553 2.499 1.00 0.56 H new ATOM 0 HG1 THR A 79 2.441 7.870 3.502 1.00 0.65 H new ATOM 0 HG21 THR A 79 1.002 6.449 4.484 1.00 0.71 H new ATOM 0 HG22 THR A 79 1.570 4.784 4.749 1.00 0.71 H new ATOM 0 HG23 THR A 79 2.458 6.151 5.462 1.00 0.71 H new ATOM 1246 N LEU A 80 3.584 3.022 2.171 1.00 0.35 N ATOM 1247 CA LEU A 80 3.204 1.631 1.947 1.00 0.34 C ATOM 1248 C LEU A 80 4.128 0.684 2.709 1.00 0.32 C ATOM 1249 O LEU A 80 3.671 -0.276 3.330 1.00 0.34 O ATOM 1250 CB LEU A 80 3.233 1.311 0.449 1.00 0.37 C ATOM 1251 CG LEU A 80 3.018 -0.162 0.084 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.676 -0.654 0.606 1.00 0.47 C ATOM 1253 CD2 LEU A 80 3.104 -0.351 -1.423 1.00 0.50 C ATOM 0 H LEU A 80 3.844 3.529 1.325 1.00 0.35 H new ATOM 0 HA LEU A 80 2.190 1.489 2.320 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.466 1.906 -0.047 1.00 0.37 H new ATOM 0 HB3 LEU A 80 4.194 1.631 0.046 1.00 0.37 H new ATOM 0 HG LEU A 80 3.805 -0.752 0.554 1.00 0.42 H new ATOM 0 HD11 LEU A 80 1.543 -1.702 0.336 1.00 0.47 H new ATOM 0 HD12 LEU A 80 1.648 -0.552 1.691 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.875 -0.061 0.165 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.949 -1.402 -1.667 1.00 0.50 H new ATOM 0 HD22 LEU A 80 2.337 0.251 -1.910 1.00 0.50 H new ATOM 0 HD23 LEU A 80 4.088 -0.038 -1.773 1.00 0.50 H new ATOM 1265 N PHE A 81 5.427 0.957 2.654 1.00 0.33 N ATOM 1266 CA PHE A 81 6.411 0.130 3.343 1.00 0.36 C ATOM 1267 C PHE A 81 6.173 0.141 4.851 1.00 0.37 C ATOM 1268 O PHE A 81 5.978 -0.906 5.467 1.00 0.38 O ATOM 1269 CB PHE A 81 7.828 0.622 3.034 1.00 0.41 C ATOM 1270 CG PHE A 81 8.907 -0.226 3.645 1.00 0.47 C ATOM 1271 CD1 PHE A 81 9.339 -1.381 3.012 1.00 0.59 C ATOM 1272 CD2 PHE A 81 9.489 0.132 4.851 1.00 0.55 C ATOM 1273 CE1 PHE A 81 10.332 -2.163 3.571 1.00 0.71 C ATOM 1274 CE2 PHE A 81 10.482 -0.646 5.413 1.00 0.67 C ATOM 1275 CZ PHE A 81 10.902 -1.795 4.777 1.00 0.73 C ATOM 0 H PHE A 81 5.823 1.744 2.140 1.00 0.33 H new ATOM 0 HA PHE A 81 6.303 -0.894 2.985 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.967 0.648 1.953 1.00 0.41 H new ATOM 0 HB3 PHE A 81 7.935 1.645 3.394 1.00 0.41 H new ATOM 0 HD1 PHE A 81 8.895 -1.673 2.072 1.00 0.59 H new ATOM 0 HD2 PHE A 81 9.162 1.029 5.356 1.00 0.55 H new ATOM 0 HE1 PHE A 81 10.662 -3.060 3.068 1.00 0.71 H new ATOM 0 HE2 PHE A 81 10.930 -0.354 6.351 1.00 0.67 H new ATOM 0 HZ PHE A 81 11.674 -2.407 5.219 1.00 0.73 H new ATOM 1285 N ALA A 82 6.188 1.335 5.436 1.00 0.45 N ATOM 1286 CA ALA A 82 5.981 1.493 6.872 1.00 0.52 C ATOM 1287 C ALA A 82 4.602 1.000 7.302 1.00 0.45 C ATOM 1288 O ALA A 82 4.354 0.788 8.489 1.00 0.43 O ATOM 1289 CB ALA A 82 6.167 2.949 7.272 1.00 0.67 C ATOM 0 H ALA A 82 6.342 2.210 4.936 1.00 0.45 H new ATOM 0 HA ALA A 82 6.725 0.881 7.383 1.00 0.52 H new ATOM 0 HB1 ALA A 82 6.010 3.054 8.345 1.00 0.67 H new ATOM 0 HB2 ALA A 82 7.178 3.269 7.020 1.00 0.67 H new ATOM 0 HB3 ALA A 82 5.446 3.568 6.738 1.00 0.67 H new ATOM 1295 N LEU A 83 3.706 0.820 6.336 1.00 0.44 N ATOM 1296 CA LEU A 83 2.353 0.356 6.630 1.00 0.41 C ATOM 1297 C LEU A 83 2.373 -1.066 7.179 1.00 0.36 C ATOM 1298 O LEU A 83 1.919 -1.317 8.296 1.00 0.36 O ATOM 1299 CB LEU A 83 1.481 0.415 5.372 1.00 0.46 C ATOM 1300 CG LEU A 83 0.001 0.715 5.621 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -0.699 1.069 4.319 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -0.681 -0.472 6.287 1.00 1.23 C ATOM 0 H LEU A 83 3.891 0.987 5.347 1.00 0.44 H new ATOM 0 HA LEU A 83 1.929 1.015 7.388 1.00 0.41 H new ATOM 0 HB2 LEU A 83 1.883 1.178 4.706 1.00 0.46 H new ATOM 0 HB3 LEU A 83 1.560 -0.538 4.849 1.00 0.46 H new ATOM 0 HG LEU A 83 -0.066 1.571 6.292 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -1.750 1.279 4.516 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -0.229 1.950 3.881 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -0.620 0.233 3.625 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -1.732 -0.240 6.456 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -0.602 -1.347 5.641 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.198 -0.681 7.241 1.00 1.23 H new ATOM 1314 N PHE A 84 2.897 -1.993 6.385 1.00 0.37 N ATOM 1315 CA PHE A 84 2.972 -3.393 6.786 1.00 0.39 C ATOM 1316 C PHE A 84 3.770 -3.559 8.075 1.00 0.39 C ATOM 1317 O PHE A 84 3.571 -4.520 8.816 1.00 0.41 O ATOM 1318 CB PHE A 84 3.598 -4.230 5.670 1.00 0.45 C ATOM 1319 CG PHE A 84 2.875 -4.109 4.359 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.517 -4.367 4.277 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.556 -3.742 3.208 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.851 -4.260 3.071 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.895 -3.635 2.001 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.532 -3.878 1.938 1.00 0.42 C ATOM 0 H PHE A 84 3.277 -1.800 5.458 1.00 0.37 H new ATOM 0 HA PHE A 84 1.956 -3.743 6.970 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.635 -3.924 5.534 1.00 0.45 H new ATOM 0 HB3 PHE A 84 3.611 -5.277 5.974 1.00 0.45 H new ATOM 0 HD1 PHE A 84 0.973 -4.655 5.164 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.615 -3.538 3.257 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.206 -4.477 3.018 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.438 -3.363 1.108 1.00 0.41 H new ATOM 0 HZ PHE A 84 1.005 -3.768 1.002 1.00 0.42 H new ATOM 1334 N LYS A 85 4.675 -2.619 8.333 1.00 0.43 N ATOM 1335 CA LYS A 85 5.497 -2.664 9.537 1.00 0.47 C ATOM 1336 C LYS A 85 4.625 -2.800 10.781 1.00 0.48 C ATOM 1337 O LYS A 85 5.013 -3.440 11.757 1.00 0.51 O ATOM 1338 CB LYS A 85 6.363 -1.407 9.639 1.00 0.56 C ATOM 1339 CG LYS A 85 7.621 -1.603 10.469 1.00 0.83 C ATOM 1340 CD LYS A 85 8.876 -1.371 9.644 1.00 0.64 C ATOM 1341 CE LYS A 85 9.730 -0.260 10.232 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.272 -0.627 11.569 1.00 1.59 N ATOM 0 H LYS A 85 4.857 -1.820 7.726 1.00 0.43 H new ATOM 0 HA LYS A 85 6.147 -3.536 9.472 1.00 0.47 H new ATOM 0 HB2 LYS A 85 6.645 -1.088 8.636 1.00 0.56 H new ATOM 0 HB3 LYS A 85 5.771 -0.602 10.075 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.610 -0.917 11.316 1.00 0.83 H new ATOM 0 HG3 LYS A 85 7.635 -2.614 10.877 1.00 0.83 H new ATOM 0 HD2 LYS A 85 9.457 -2.292 9.596 1.00 0.64 H new ATOM 0 HD3 LYS A 85 8.599 -1.116 8.621 1.00 0.64 H new ATOM 0 HE2 LYS A 85 10.554 -0.038 9.554 1.00 1.03 H new ATOM 0 HE3 LYS A 85 9.135 0.649 10.318 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 11.050 0.017 11.817 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 9.519 -0.550 12.282 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 10.626 -1.605 11.544 1.00 1.59 H new ATOM 1356 N LYS A 86 3.444 -2.190 10.732 1.00 0.52 N ATOM 1357 CA LYS A 86 2.505 -2.243 11.848 1.00 0.59 C ATOM 1358 C LYS A 86 2.118 -3.685 12.163 1.00 0.61 C ATOM 1359 O LYS A 86 2.055 -4.081 13.328 1.00 0.69 O ATOM 1360 CB LYS A 86 1.253 -1.425 11.524 1.00 0.71 C ATOM 1361 CG LYS A 86 0.364 -1.168 12.729 1.00 1.05 C ATOM 1362 CD LYS A 86 -0.939 -0.500 12.323 1.00 1.31 C ATOM 1363 CE LYS A 86 -1.952 -1.514 11.819 1.00 1.84 C ATOM 1364 NZ LYS A 86 -3.236 -1.436 12.568 1.00 2.31 N ATOM 0 H LYS A 86 3.114 -1.653 9.930 1.00 0.52 H new ATOM 0 HA LYS A 86 2.993 -1.817 12.725 1.00 0.59 H new ATOM 0 HB2 LYS A 86 1.555 -0.469 11.096 1.00 0.71 H new ATOM 0 HB3 LYS A 86 0.675 -1.948 10.762 1.00 0.71 H new ATOM 0 HG2 LYS A 86 0.150 -2.110 13.233 1.00 1.05 H new ATOM 0 HG3 LYS A 86 0.891 -0.537 13.444 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -1.354 0.038 13.175 1.00 1.31 H new ATOM 0 HD3 LYS A 86 -0.744 0.238 11.545 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -2.139 -1.344 10.759 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -1.538 -2.518 11.912 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -3.900 -2.144 12.194 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -3.062 -1.624 13.576 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -3.645 -0.486 12.458 1.00 2.31 H new ATOM 1378 N LEU A 87 1.860 -4.465 11.117 1.00 0.61 N ATOM 1379 CA LEU A 87 1.481 -5.864 11.279 1.00 0.70 C ATOM 1380 C LEU A 87 2.704 -6.771 11.186 1.00 0.63 C ATOM 1381 O LEU A 87 2.595 -7.992 11.307 1.00 0.74 O ATOM 1382 CB LEU A 87 0.450 -6.263 10.221 1.00 0.80 C ATOM 1383 CG LEU A 87 -0.836 -6.881 10.771 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.688 -5.822 11.455 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.618 -7.560 9.657 1.00 1.46 C ATOM 0 H LEU A 87 1.907 -4.151 10.148 1.00 0.61 H new ATOM 0 HA LEU A 87 1.037 -5.983 12.267 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.190 -5.380 9.638 1.00 0.80 H new ATOM 0 HB3 LEU A 87 0.912 -6.973 9.535 1.00 0.80 H new ATOM 0 HG LEU A 87 -0.567 -7.634 11.512 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.599 -6.281 11.840 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -1.128 -5.381 12.279 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -1.949 -5.045 10.736 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -2.530 -7.995 10.066 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -1.876 -6.826 8.894 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -1.009 -8.347 9.212 1.00 1.46 H new ATOM 1397 N LYS A 88 3.867 -6.162 10.968 1.00 0.52 N ATOM 1398 CA LYS A 88 5.121 -6.903 10.864 1.00 0.53 C ATOM 1399 C LYS A 88 5.062 -7.937 9.741 1.00 0.51 C ATOM 1400 O LYS A 88 5.462 -9.087 9.922 1.00 0.56 O ATOM 1401 CB LYS A 88 5.444 -7.590 12.193 1.00 0.69 C ATOM 1402 CG LYS A 88 5.196 -6.711 13.408 1.00 1.16 C ATOM 1403 CD LYS A 88 6.494 -6.346 14.109 1.00 1.45 C ATOM 1404 CE LYS A 88 6.591 -4.849 14.356 1.00 2.05 C ATOM 1405 NZ LYS A 88 7.565 -4.525 15.434 1.00 2.87 N ATOM 0 H LYS A 88 3.967 -5.153 10.860 1.00 0.52 H new ATOM 0 HA LYS A 88 5.912 -6.191 10.628 1.00 0.53 H new ATOM 0 HB2 LYS A 88 4.842 -8.495 12.280 1.00 0.69 H new ATOM 0 HB3 LYS A 88 6.489 -7.901 12.187 1.00 0.69 H new ATOM 0 HG2 LYS A 88 4.680 -5.802 13.101 1.00 1.16 H new ATOM 0 HG3 LYS A 88 4.539 -7.230 14.105 1.00 1.16 H new ATOM 0 HD2 LYS A 88 6.558 -6.878 15.058 1.00 1.45 H new ATOM 0 HD3 LYS A 88 7.340 -6.672 13.504 1.00 1.45 H new ATOM 0 HE2 LYS A 88 6.889 -4.348 13.435 1.00 2.05 H new ATOM 0 HE3 LYS A 88 5.609 -4.461 14.626 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 7.601 -3.495 15.571 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 7.267 -4.982 16.320 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 8.508 -4.872 15.166 1.00 2.87 H new ATOM 1419 N LEU A 89 4.565 -7.520 8.581 1.00 0.47 N ATOM 1420 CA LEU A 89 4.459 -8.411 7.431 1.00 0.46 C ATOM 1421 C LEU A 89 5.728 -8.358 6.583 1.00 0.45 C ATOM 1422 O LEU A 89 5.755 -7.724 5.527 1.00 0.43 O ATOM 1423 CB LEU A 89 3.243 -8.040 6.578 1.00 0.48 C ATOM 1424 CG LEU A 89 1.890 -8.169 7.283 1.00 0.78 C ATOM 1425 CD1 LEU A 89 0.774 -7.655 6.387 1.00 1.25 C ATOM 1426 CD2 LEU A 89 1.632 -9.614 7.686 1.00 1.31 C ATOM 0 H LEU A 89 4.230 -6.572 8.412 1.00 0.47 H new ATOM 0 HA LEU A 89 4.334 -9.428 7.802 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.360 -7.012 6.235 1.00 0.48 H new ATOM 0 HB3 LEU A 89 3.234 -8.673 5.691 1.00 0.48 H new ATOM 0 HG LEU A 89 1.913 -7.562 8.188 1.00 0.78 H new ATOM 0 HD11 LEU A 89 -0.181 -7.754 6.903 1.00 1.25 H new ATOM 0 HD12 LEU A 89 0.952 -6.606 6.150 1.00 1.25 H new ATOM 0 HD13 LEU A 89 0.750 -8.236 5.465 1.00 1.25 H new ATOM 0 HD21 LEU A 89 0.666 -9.685 8.186 1.00 1.31 H new ATOM 0 HD22 LEU A 89 1.628 -10.245 6.797 1.00 1.31 H new ATOM 0 HD23 LEU A 89 2.417 -9.948 8.365 1.00 1.31 H new ATOM 1438 N HIS A 90 6.776 -9.026 7.056 1.00 0.55 N ATOM 1439 CA HIS A 90 8.052 -9.061 6.348 1.00 0.64 C ATOM 1440 C HIS A 90 7.875 -9.539 4.909 1.00 0.60 C ATOM 1441 O HIS A 90 8.606 -9.118 4.011 1.00 0.69 O ATOM 1442 CB HIS A 90 9.037 -9.975 7.080 1.00 0.81 C ATOM 1443 CG HIS A 90 9.710 -9.320 8.247 1.00 0.97 C ATOM 1444 ND1 HIS A 90 11.061 -9.051 8.282 1.00 1.62 N ATOM 1445 CD2 HIS A 90 9.209 -8.878 9.425 1.00 0.98 C ATOM 1446 CE1 HIS A 90 11.363 -8.475 9.431 1.00 1.84 C ATOM 1447 NE2 HIS A 90 10.257 -8.357 10.142 1.00 1.38 N ATOM 0 H HIS A 90 6.766 -9.552 7.930 1.00 0.55 H new ATOM 0 HA HIS A 90 8.449 -8.046 6.324 1.00 0.64 H new ATOM 0 HB2 HIS A 90 8.507 -10.862 7.428 1.00 0.81 H new ATOM 0 HB3 HIS A 90 9.797 -10.314 6.376 1.00 0.81 H new ATOM 0 HD2 HIS A 90 8.177 -8.926 9.741 1.00 0.98 H new ATOM 0 HE1 HIS A 90 12.348 -8.155 9.737 1.00 1.84 H new ATOM 0 HE2 HIS A 90 10.192 -7.945 11.073 1.00 1.38 H new ATOM 1456 N ASN A 91 6.904 -10.421 4.696 1.00 0.54 N ATOM 1457 CA ASN A 91 6.637 -10.961 3.367 1.00 0.55 C ATOM 1458 C ASN A 91 6.077 -9.886 2.439 1.00 0.46 C ATOM 1459 O ASN A 91 6.562 -9.706 1.322 1.00 0.45 O ATOM 1460 CB ASN A 91 5.660 -12.134 3.457 1.00 0.63 C ATOM 1461 CG ASN A 91 6.326 -13.464 3.159 1.00 1.13 C ATOM 1462 OD1 ASN A 91 6.137 -14.039 2.087 1.00 1.98 O ATOM 1463 ND2 ASN A 91 7.110 -13.960 4.109 1.00 1.60 N ATOM 0 H ASN A 91 6.288 -10.777 5.427 1.00 0.54 H new ATOM 0 HA ASN A 91 7.581 -11.314 2.952 1.00 0.55 H new ATOM 0 HB2 ASN A 91 5.224 -12.165 4.455 1.00 0.63 H new ATOM 0 HB3 ASN A 91 4.841 -11.976 2.756 1.00 0.63 H new ATOM 0 HD21 ASN A 91 7.584 -14.852 3.965 1.00 1.60 H new ATOM 0 HD22 ASN A 91 7.238 -13.449 4.983 1.00 1.60 H new ATOM 1470 N ALA A 92 5.052 -9.179 2.907 1.00 0.42 N ATOM 1471 CA ALA A 92 4.425 -8.122 2.120 1.00 0.39 C ATOM 1472 C ALA A 92 5.457 -7.108 1.634 1.00 0.36 C ATOM 1473 O ALA A 92 5.450 -6.712 0.469 1.00 0.38 O ATOM 1474 CB ALA A 92 3.346 -7.426 2.938 1.00 0.41 C ATOM 0 H ALA A 92 4.638 -9.319 3.828 1.00 0.42 H new ATOM 0 HA ALA A 92 3.966 -8.581 1.244 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.886 -6.640 2.339 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.586 -8.151 3.230 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.792 -6.988 3.831 1.00 0.41 H new ATOM 1480 N MET A 93 6.337 -6.686 2.536 1.00 0.39 N ATOM 1481 CA MET A 93 7.377 -5.721 2.196 1.00 0.43 C ATOM 1482 C MET A 93 8.290 -6.265 1.100 1.00 0.40 C ATOM 1483 O MET A 93 8.628 -5.559 0.153 1.00 0.39 O ATOM 1484 CB MET A 93 8.203 -5.372 3.436 1.00 0.55 C ATOM 1485 CG MET A 93 7.360 -4.950 4.628 1.00 0.71 C ATOM 1486 SD MET A 93 8.294 -3.990 5.835 1.00 1.06 S ATOM 1487 CE MET A 93 8.980 -5.299 6.847 1.00 1.29 C ATOM 0 H MET A 93 6.351 -6.997 3.507 1.00 0.39 H new ATOM 0 HA MET A 93 6.891 -4.819 1.824 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.806 -6.236 3.716 1.00 0.55 H new ATOM 0 HB3 MET A 93 8.895 -4.567 3.187 1.00 0.55 H new ATOM 0 HG2 MET A 93 6.513 -4.360 4.278 1.00 0.71 H new ATOM 0 HG3 MET A 93 6.953 -5.837 5.112 1.00 0.71 H new ATOM 0 HE1 MET A 93 9.586 -4.865 7.642 1.00 1.29 H new ATOM 0 HE2 MET A 93 8.170 -5.882 7.285 1.00 1.29 H new ATOM 0 HE3 MET A 93 9.602 -5.948 6.230 1.00 1.29 H new ATOM 1497 N ARG A 94 8.686 -7.526 1.242 1.00 0.44 N ATOM 1498 CA ARG A 94 9.563 -8.173 0.272 1.00 0.45 C ATOM 1499 C ARG A 94 8.940 -8.202 -1.124 1.00 0.44 C ATOM 1500 O ARG A 94 9.645 -8.376 -2.119 1.00 0.49 O ATOM 1501 CB ARG A 94 9.883 -9.599 0.725 1.00 0.55 C ATOM 1502 CG ARG A 94 11.341 -9.987 0.533 1.00 1.28 C ATOM 1503 CD ARG A 94 11.506 -11.493 0.423 1.00 1.44 C ATOM 1504 NE ARG A 94 10.992 -12.009 -0.843 1.00 1.97 N ATOM 1505 CZ ARG A 94 9.891 -12.749 -0.946 1.00 2.47 C ATOM 1506 NH1 ARG A 94 9.190 -13.057 0.136 1.00 2.58 N ATOM 1507 NH2 ARG A 94 9.490 -13.180 -2.134 1.00 3.39 N ATOM 0 H ARG A 94 8.412 -8.122 2.023 1.00 0.44 H new ATOM 0 HA ARG A 94 10.482 -7.590 0.217 1.00 0.45 H new ATOM 0 HB2 ARG A 94 9.624 -9.703 1.779 1.00 0.55 H new ATOM 0 HB3 ARG A 94 9.254 -10.297 0.172 1.00 0.55 H new ATOM 0 HG2 ARG A 94 11.730 -9.511 -0.367 1.00 1.28 H new ATOM 0 HG3 ARG A 94 11.931 -9.615 1.371 1.00 1.28 H new ATOM 0 HD2 ARG A 94 12.561 -11.750 0.518 1.00 1.44 H new ATOM 0 HD3 ARG A 94 10.985 -11.976 1.250 1.00 1.44 H new ATOM 0 HE ARG A 94 11.506 -11.790 -1.696 1.00 1.97 H new ATOM 0 HH11 ARG A 94 9.494 -12.726 1.052 1.00 2.58 H new ATOM 0 HH12 ARG A 94 8.347 -13.624 0.053 1.00 2.58 H new ATOM 0 HH21 ARG A 94 10.026 -12.944 -2.969 1.00 3.39 H new ATOM 0 HH22 ARG A 94 8.646 -13.747 -2.212 1.00 3.39 H new ATOM 1521 N LEU A 95 7.622 -8.031 -1.196 1.00 0.44 N ATOM 1522 CA LEU A 95 6.921 -8.054 -2.477 1.00 0.47 C ATOM 1523 C LEU A 95 7.197 -6.795 -3.296 1.00 0.46 C ATOM 1524 O LEU A 95 7.072 -6.807 -4.521 1.00 0.52 O ATOM 1525 CB LEU A 95 5.416 -8.223 -2.263 1.00 0.53 C ATOM 1526 CG LEU A 95 4.899 -9.652 -2.439 1.00 0.55 C ATOM 1527 CD1 LEU A 95 4.571 -10.273 -1.090 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.677 -9.670 -3.345 1.00 0.67 C ATOM 0 H LEU A 95 7.021 -7.876 -0.387 1.00 0.44 H new ATOM 0 HA LEU A 95 7.299 -8.908 -3.039 1.00 0.47 H new ATOM 0 HB2 LEU A 95 5.166 -7.882 -1.258 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.889 -7.572 -2.961 1.00 0.53 H new ATOM 0 HG LEU A 95 5.684 -10.245 -2.908 1.00 0.55 H new ATOM 0 HD11 LEU A 95 4.205 -11.289 -1.237 1.00 0.79 H new ATOM 0 HD12 LEU A 95 5.469 -10.296 -0.472 1.00 0.79 H new ATOM 0 HD13 LEU A 95 3.804 -9.679 -0.593 1.00 0.79 H new ATOM 0 HD21 LEU A 95 3.323 -10.695 -3.459 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.888 -9.061 -2.904 1.00 0.67 H new ATOM 0 HD23 LEU A 95 3.943 -9.268 -4.322 1.00 0.67 H new ATOM 1540 N ILE A 96 7.571 -5.709 -2.623 1.00 0.43 N ATOM 1541 CA ILE A 96 7.870 -4.457 -3.313 1.00 0.50 C ATOM 1542 C ILE A 96 9.370 -4.170 -3.289 1.00 0.61 C ATOM 1543 O ILE A 96 10.113 -4.708 -4.109 1.00 1.29 O ATOM 1544 CB ILE A 96 7.097 -3.259 -2.715 1.00 0.58 C ATOM 1545 CG1 ILE A 96 6.844 -3.460 -1.219 1.00 0.52 C ATOM 1546 CG2 ILE A 96 5.781 -3.062 -3.454 1.00 0.76 C ATOM 1547 CD1 ILE A 96 6.434 -2.192 -0.496 1.00 0.48 C ATOM 0 H ILE A 96 7.674 -5.670 -1.609 1.00 0.43 H new ATOM 0 HA ILE A 96 7.543 -4.581 -4.345 1.00 0.50 H new ATOM 0 HB ILE A 96 7.707 -2.364 -2.836 1.00 0.58 H new ATOM 0 HG12 ILE A 96 6.064 -4.211 -1.089 1.00 0.52 H new ATOM 0 HG13 ILE A 96 7.748 -3.856 -0.756 1.00 0.52 H new ATOM 0 HG21 ILE A 96 5.245 -2.216 -3.024 1.00 0.76 H new ATOM 0 HG22 ILE A 96 5.981 -2.867 -4.508 1.00 0.76 H new ATOM 0 HG23 ILE A 96 5.173 -3.962 -3.360 1.00 0.76 H new ATOM 0 HD11 ILE A 96 6.272 -2.411 0.559 1.00 0.48 H new ATOM 0 HD12 ILE A 96 7.222 -1.446 -0.595 1.00 0.48 H new ATOM 0 HD13 ILE A 96 5.513 -1.806 -0.932 1.00 0.48 H new ATOM 1559 N LYS A 97 9.808 -3.329 -2.348 1.00 0.66 N ATOM 1560 CA LYS A 97 11.225 -2.978 -2.211 1.00 0.66 C ATOM 1561 C LYS A 97 11.721 -2.149 -3.395 1.00 0.82 C ATOM 1562 O LYS A 97 12.011 -0.962 -3.253 1.00 1.43 O ATOM 1563 CB LYS A 97 12.080 -4.240 -2.060 1.00 0.74 C ATOM 1564 CG LYS A 97 11.573 -5.193 -0.990 1.00 1.33 C ATOM 1565 CD LYS A 97 12.468 -5.178 0.238 1.00 1.77 C ATOM 1566 CE LYS A 97 11.666 -4.962 1.510 1.00 2.29 C ATOM 1567 NZ LYS A 97 11.474 -6.230 2.268 1.00 2.85 N ATOM 0 H LYS A 97 9.199 -2.876 -1.667 1.00 0.66 H new ATOM 0 HA LYS A 97 11.323 -2.370 -1.312 1.00 0.66 H new ATOM 0 HB2 LYS A 97 12.112 -4.764 -3.015 1.00 0.74 H new ATOM 0 HB3 LYS A 97 13.103 -3.949 -1.821 1.00 0.74 H new ATOM 0 HG2 LYS A 97 10.558 -4.915 -0.705 1.00 1.33 H new ATOM 0 HG3 LYS A 97 11.525 -6.204 -1.395 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.011 -6.121 0.305 1.00 1.77 H new ATOM 0 HD3 LYS A 97 13.212 -4.388 0.137 1.00 1.77 H new ATOM 0 HE2 LYS A 97 12.176 -4.235 2.142 1.00 2.29 H new ATOM 0 HE3 LYS A 97 10.694 -4.539 1.259 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 10.466 -6.352 2.491 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 11.800 -7.032 1.692 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 12.022 -6.193 3.151 1.00 2.85 H new ATOM 1581 N ASP A 98 11.823 -2.779 -4.561 1.00 0.74 N ATOM 1582 CA ASP A 98 12.287 -2.097 -5.766 1.00 0.85 C ATOM 1583 C ASP A 98 11.328 -0.984 -6.184 1.00 0.73 C ATOM 1584 O ASP A 98 11.567 -0.289 -7.172 1.00 0.84 O ATOM 1585 CB ASP A 98 12.447 -3.099 -6.911 1.00 1.04 C ATOM 1586 CG ASP A 98 13.888 -3.237 -7.362 1.00 1.30 C ATOM 1587 OD1 ASP A 98 14.586 -2.205 -7.441 1.00 1.64 O ATOM 1588 OD2 ASP A 98 14.316 -4.377 -7.638 1.00 1.63 O ATOM 0 H ASP A 98 11.590 -3.763 -4.698 1.00 0.74 H new ATOM 0 HA ASP A 98 13.253 -1.645 -5.540 1.00 0.85 H new ATOM 0 HB2 ASP A 98 12.074 -4.073 -6.593 1.00 1.04 H new ATOM 0 HB3 ASP A 98 11.834 -2.783 -7.755 1.00 1.04 H new ATOM 1593 N TYR A 99 10.244 -0.818 -5.432 1.00 0.60 N ATOM 1594 CA TYR A 99 9.258 0.211 -5.735 1.00 0.64 C ATOM 1595 C TYR A 99 9.304 1.341 -4.709 1.00 0.78 C ATOM 1596 O TYR A 99 8.772 2.425 -4.946 1.00 1.08 O ATOM 1597 CB TYR A 99 7.856 -0.399 -5.782 1.00 0.63 C ATOM 1598 CG TYR A 99 7.672 -1.403 -6.897 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.315 -0.993 -8.175 1.00 0.74 C ATOM 1600 CD2 TYR A 99 7.855 -2.762 -6.673 1.00 0.75 C ATOM 1601 CE1 TYR A 99 7.144 -1.908 -9.198 1.00 0.84 C ATOM 1602 CE2 TYR A 99 7.686 -3.684 -7.689 1.00 0.92 C ATOM 1603 CZ TYR A 99 7.336 -3.251 -8.951 1.00 0.93 C ATOM 1604 OH TYR A 99 7.160 -4.166 -9.964 1.00 1.13 O ATOM 0 H TYR A 99 10.027 -1.382 -4.610 1.00 0.60 H new ATOM 0 HA TYR A 99 9.499 0.631 -6.712 1.00 0.64 H new ATOM 0 HB2 TYR A 99 7.648 -0.885 -4.829 1.00 0.63 H new ATOM 0 HB3 TYR A 99 7.124 0.400 -5.899 1.00 0.63 H new ATOM 0 HD1 TYR A 99 7.168 0.058 -8.373 1.00 0.74 H new ATOM 0 HD2 TYR A 99 8.134 -3.104 -5.687 1.00 0.75 H new ATOM 0 HE1 TYR A 99 6.862 -1.572 -10.185 1.00 0.84 H new ATOM 0 HE2 TYR A 99 7.827 -4.737 -7.496 1.00 0.92 H new ATOM 0 HH TYR A 99 7.335 -5.068 -9.624 1.00 1.13 H new ATOM 1614 N VAL A 100 9.943 1.084 -3.570 1.00 0.68 N ATOM 1615 CA VAL A 100 10.056 2.086 -2.515 1.00 0.84 C ATOM 1616 C VAL A 100 11.409 2.791 -2.565 1.00 1.12 C ATOM 1617 O VAL A 100 12.188 2.593 -3.498 1.00 1.37 O ATOM 1618 CB VAL A 100 9.865 1.466 -1.116 1.00 0.72 C ATOM 1619 CG1 VAL A 100 8.453 0.925 -0.960 1.00 0.99 C ATOM 1620 CG2 VAL A 100 10.896 0.376 -0.866 1.00 0.84 C ATOM 0 H VAL A 100 10.389 0.192 -3.355 1.00 0.68 H new ATOM 0 HA VAL A 100 9.262 2.812 -2.691 1.00 0.84 H new ATOM 0 HB VAL A 100 10.013 2.247 -0.370 1.00 0.72 H new ATOM 0 HG11 VAL A 100 8.337 0.491 0.033 1.00 0.99 H new ATOM 0 HG12 VAL A 100 7.736 1.736 -1.088 1.00 0.99 H new ATOM 0 HG13 VAL A 100 8.272 0.159 -1.714 1.00 0.99 H new ATOM 0 HG21 VAL A 100 10.744 -0.048 0.126 1.00 0.84 H new ATOM 0 HG22 VAL A 100 10.787 -0.407 -1.616 1.00 0.84 H new ATOM 0 HG23 VAL A 100 11.898 0.801 -0.929 1.00 0.84 H new ATOM 1630 N SER A 101 11.675 3.616 -1.557 1.00 1.24 N ATOM 1631 CA SER A 101 12.932 4.355 -1.478 1.00 1.56 C ATOM 1632 C SER A 101 14.128 3.413 -1.570 1.00 1.20 C ATOM 1633 O SER A 101 14.062 2.264 -1.132 1.00 1.50 O ATOM 1634 CB SER A 101 12.996 5.151 -0.173 1.00 2.21 C ATOM 1635 OG SER A 101 12.632 6.505 -0.383 1.00 2.53 O ATOM 0 H SER A 101 11.036 3.790 -0.782 1.00 1.24 H new ATOM 0 HA SER A 101 12.972 5.044 -2.322 1.00 1.56 H new ATOM 0 HB2 SER A 101 12.330 4.702 0.564 1.00 2.21 H new ATOM 0 HB3 SER A 101 14.004 5.102 0.238 1.00 2.21 H new ATOM 0 HG SER A 101 11.770 6.683 0.048 1.00 2.53 H new ATOM 1641 N GLU A 102 15.219 3.909 -2.144 1.00 1.32 N ATOM 1642 CA GLU A 102 16.433 3.114 -2.295 1.00 1.81 C ATOM 1643 C GLU A 102 17.280 3.170 -1.028 1.00 1.95 C ATOM 1644 O GLU A 102 18.302 2.491 -0.922 1.00 2.25 O ATOM 1645 CB GLU A 102 17.247 3.610 -3.492 1.00 2.43 C ATOM 1646 CG GLU A 102 16.628 3.259 -4.835 1.00 3.30 C ATOM 1647 CD GLU A 102 17.622 3.350 -5.976 1.00 3.82 C ATOM 1648 OE1 GLU A 102 18.003 4.483 -6.342 1.00 4.26 O ATOM 1649 OE2 GLU A 102 18.022 2.291 -6.503 1.00 4.07 O ATOM 0 H GLU A 102 15.288 4.858 -2.512 1.00 1.32 H new ATOM 0 HA GLU A 102 16.141 2.078 -2.469 1.00 1.81 H new ATOM 0 HB2 GLU A 102 17.356 4.692 -3.423 1.00 2.43 H new ATOM 0 HB3 GLU A 102 18.249 3.185 -3.441 1.00 2.43 H new ATOM 0 HG2 GLU A 102 16.222 2.248 -4.791 1.00 3.30 H new ATOM 0 HG3 GLU A 102 15.792 3.930 -5.032 1.00 3.30 H new ATOM 1656 N ASP A 103 16.849 3.985 -0.071 1.00 1.90 N ATOM 1657 CA ASP A 103 17.569 4.134 1.190 1.00 2.17 C ATOM 1658 C ASP A 103 17.520 2.846 2.006 1.00 1.97 C ATOM 1659 O ASP A 103 18.480 2.502 2.696 1.00 2.18 O ATOM 1660 CB ASP A 103 16.982 5.288 2.005 1.00 2.39 C ATOM 1661 CG ASP A 103 17.248 6.640 1.372 1.00 2.79 C ATOM 1662 OD1 ASP A 103 17.231 6.726 0.126 1.00 3.12 O ATOM 1663 OD2 ASP A 103 17.473 7.613 2.122 1.00 3.15 O ATOM 0 H ASP A 103 16.005 4.553 -0.144 1.00 1.90 H new ATOM 0 HA ASP A 103 18.611 4.354 0.957 1.00 2.17 H new ATOM 0 HB2 ASP A 103 15.907 5.145 2.109 1.00 2.39 H new ATOM 0 HB3 ASP A 103 17.405 5.271 3.009 1.00 2.39 H new ATOM 1668 N LEU A 104 16.398 2.135 1.925 1.00 1.66 N ATOM 1669 CA LEU A 104 16.232 0.887 2.661 1.00 1.57 C ATOM 1670 C LEU A 104 16.819 -0.292 1.893 1.00 1.70 C ATOM 1671 O LEU A 104 17.414 -1.185 2.486 1.00 1.91 O ATOM 1672 CB LEU A 104 14.755 0.633 2.967 1.00 1.43 C ATOM 1673 CG LEU A 104 13.844 0.532 1.744 1.00 1.27 C ATOM 1674 CD1 LEU A 104 13.112 -0.801 1.732 1.00 1.68 C ATOM 1675 CD2 LEU A 104 12.854 1.687 1.723 1.00 1.73 C ATOM 0 H LEU A 104 15.593 2.402 1.358 1.00 1.66 H new ATOM 0 HA LEU A 104 16.775 0.984 3.601 1.00 1.57 H new ATOM 0 HB2 LEU A 104 14.673 -0.292 3.538 1.00 1.43 H new ATOM 0 HB3 LEU A 104 14.390 1.437 3.607 1.00 1.43 H new ATOM 0 HG LEU A 104 14.461 0.591 0.848 1.00 1.27 H new ATOM 0 HD11 LEU A 104 12.468 -0.855 0.854 1.00 1.68 H new ATOM 0 HD12 LEU A 104 13.837 -1.614 1.700 1.00 1.68 H new ATOM 0 HD13 LEU A 104 12.505 -0.891 2.633 1.00 1.68 H new ATOM 0 HD21 LEU A 104 12.213 1.601 0.846 1.00 1.73 H new ATOM 0 HD22 LEU A 104 12.242 1.658 2.624 1.00 1.73 H new ATOM 0 HD23 LEU A 104 13.397 2.631 1.683 1.00 1.73 H new ATOM 1687 N HIS A 105 16.661 -0.295 0.573 1.00 1.83 N ATOM 1688 CA HIS A 105 17.190 -1.384 -0.237 1.00 2.15 C ATOM 1689 C HIS A 105 18.711 -1.456 -0.077 1.00 2.44 C ATOM 1690 O HIS A 105 19.448 -0.605 -0.577 1.00 2.79 O ATOM 1691 CB HIS A 105 16.754 -1.215 -1.705 1.00 2.42 C ATOM 1692 CG HIS A 105 17.869 -1.152 -2.702 1.00 2.36 C ATOM 1693 ND1 HIS A 105 18.591 -2.257 -3.102 1.00 2.91 N ATOM 1694 CD2 HIS A 105 18.380 -0.102 -3.383 1.00 2.29 C ATOM 1695 CE1 HIS A 105 19.500 -1.888 -3.987 1.00 3.15 C ATOM 1696 NE2 HIS A 105 19.392 -0.585 -4.176 1.00 2.81 N ATOM 0 H HIS A 105 16.178 0.434 0.048 1.00 1.83 H new ATOM 0 HA HIS A 105 16.782 -2.335 0.106 1.00 2.15 H new ATOM 0 HB2 HIS A 105 16.099 -2.045 -1.970 1.00 2.42 H new ATOM 0 HB3 HIS A 105 16.163 -0.303 -1.788 1.00 2.42 H new ATOM 0 HD2 HIS A 105 18.053 0.925 -3.316 1.00 2.29 H new ATOM 0 HE1 HIS A 105 20.210 -2.540 -4.473 1.00 3.15 H new ATOM 0 HE2 HIS A 105 19.967 -0.028 -4.808 1.00 2.81 H new ATOM 1705 N LYS A 106 19.165 -2.463 0.671 1.00 2.38 N ATOM 1706 CA LYS A 106 20.590 -2.660 0.934 1.00 2.72 C ATOM 1707 C LYS A 106 20.806 -3.821 1.901 1.00 2.73 C ATOM 1708 O LYS A 106 21.774 -4.571 1.785 1.00 3.11 O ATOM 1709 CB LYS A 106 21.202 -1.388 1.528 1.00 2.83 C ATOM 1710 CG LYS A 106 20.399 -0.806 2.684 1.00 2.56 C ATOM 1711 CD LYS A 106 21.229 -0.728 3.955 1.00 2.86 C ATOM 1712 CE LYS A 106 21.338 0.701 4.459 1.00 3.00 C ATOM 1713 NZ LYS A 106 22.548 0.903 5.302 1.00 3.43 N ATOM 0 H LYS A 106 18.561 -3.159 1.108 1.00 2.38 H new ATOM 0 HA LYS A 106 21.078 -2.890 -0.013 1.00 2.72 H new ATOM 0 HB2 LYS A 106 22.212 -1.608 1.873 1.00 2.83 H new ATOM 0 HB3 LYS A 106 21.290 -0.637 0.743 1.00 2.83 H new ATOM 0 HG2 LYS A 106 20.045 0.190 2.418 1.00 2.56 H new ATOM 0 HG3 LYS A 106 19.517 -1.421 2.861 1.00 2.56 H new ATOM 0 HD2 LYS A 106 20.778 -1.354 4.725 1.00 2.86 H new ATOM 0 HD3 LYS A 106 22.226 -1.126 3.765 1.00 2.86 H new ATOM 0 HE2 LYS A 106 21.369 1.384 3.610 1.00 3.00 H new ATOM 0 HE3 LYS A 106 20.448 0.951 5.036 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 22.585 1.891 5.625 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 22.507 0.270 6.126 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 23.399 0.690 4.744 1.00 3.43 H new ATOM 1727 N TYR A 107 19.891 -3.954 2.855 1.00 2.40 N ATOM 1728 CA TYR A 107 19.966 -5.008 3.860 1.00 2.46 C ATOM 1729 C TYR A 107 19.244 -6.258 3.375 1.00 2.35 C ATOM 1730 O TYR A 107 19.366 -7.329 3.968 1.00 2.42 O ATOM 1731 CB TYR A 107 19.335 -4.525 5.168 1.00 2.46 C ATOM 1732 CG TYR A 107 17.852 -4.260 5.044 1.00 2.20 C ATOM 1733 CD1 TYR A 107 16.927 -5.275 5.254 1.00 2.20 C ATOM 1734 CD2 TYR A 107 17.378 -3.001 4.697 1.00 2.03 C ATOM 1735 CE1 TYR A 107 15.572 -5.043 5.123 1.00 2.07 C ATOM 1736 CE2 TYR A 107 16.026 -2.760 4.567 1.00 1.88 C ATOM 1737 CZ TYR A 107 15.125 -3.783 4.779 1.00 1.92 C ATOM 1738 OH TYR A 107 13.776 -3.547 4.647 1.00 1.91 O ATOM 0 H TYR A 107 19.083 -3.340 2.953 1.00 2.40 H new ATOM 0 HA TYR A 107 21.015 -5.251 4.031 1.00 2.46 H new ATOM 0 HB2 TYR A 107 19.502 -5.273 5.943 1.00 2.46 H new ATOM 0 HB3 TYR A 107 19.836 -3.613 5.492 1.00 2.46 H new ATOM 0 HD1 TYR A 107 17.273 -6.262 5.524 1.00 2.20 H new ATOM 0 HD2 TYR A 107 18.080 -2.198 4.526 1.00 2.03 H new ATOM 0 HE1 TYR A 107 14.866 -5.843 5.289 1.00 2.07 H new ATOM 0 HE2 TYR A 107 15.674 -1.774 4.300 1.00 1.88 H new ATOM 0 HH TYR A 107 13.630 -2.609 4.402 1.00 1.91 H new ATOM 1748 N ILE A 108 18.490 -6.100 2.294 1.00 2.27 N ATOM 1749 CA ILE A 108 17.724 -7.196 1.720 1.00 2.27 C ATOM 1750 C ILE A 108 18.602 -8.431 1.500 1.00 2.49 C ATOM 1751 O ILE A 108 19.484 -8.427 0.638 1.00 2.67 O ATOM 1752 CB ILE A 108 17.075 -6.764 0.385 1.00 2.29 C ATOM 1753 CG1 ILE A 108 15.758 -6.036 0.653 1.00 2.08 C ATOM 1754 CG2 ILE A 108 16.841 -7.958 -0.527 1.00 2.59 C ATOM 1755 CD1 ILE A 108 15.931 -4.570 0.980 1.00 1.86 C ATOM 0 H ILE A 108 18.393 -5.216 1.795 1.00 2.27 H new ATOM 0 HA ILE A 108 16.938 -7.457 2.428 1.00 2.27 H new ATOM 0 HB ILE A 108 17.762 -6.086 -0.121 1.00 2.29 H new ATOM 0 HG12 ILE A 108 15.116 -6.131 -0.223 1.00 2.08 H new ATOM 0 HG13 ILE A 108 15.244 -6.526 1.480 1.00 2.08 H new ATOM 0 HG21 ILE A 108 16.384 -7.621 -1.457 1.00 2.59 H new ATOM 0 HG22 ILE A 108 17.793 -8.441 -0.745 1.00 2.59 H new ATOM 0 HG23 ILE A 108 16.178 -8.669 -0.033 1.00 2.59 H new ATOM 0 HD11 ILE A 108 14.955 -4.119 1.158 1.00 1.86 H new ATOM 0 HD12 ILE A 108 16.547 -4.467 1.873 1.00 1.86 H new ATOM 0 HD13 ILE A 108 16.417 -4.066 0.145 1.00 1.86 H new ATOM 1767 N PRO A 109 18.380 -9.502 2.290 1.00 2.54 N ATOM 1768 CA PRO A 109 19.148 -10.747 2.175 1.00 2.77 C ATOM 1769 C PRO A 109 19.177 -11.284 0.746 1.00 3.02 C ATOM 1770 O PRO A 109 18.136 -11.430 0.107 1.00 3.11 O ATOM 1771 CB PRO A 109 18.405 -11.729 3.096 1.00 2.80 C ATOM 1772 CG PRO A 109 17.112 -11.062 3.436 1.00 2.70 C ATOM 1773 CD PRO A 109 17.380 -9.590 3.365 1.00 2.48 C ATOM 0 HA PRO A 109 20.192 -10.597 2.448 1.00 2.77 H new ATOM 0 HB2 PRO A 109 18.234 -12.682 2.596 1.00 2.80 H new ATOM 0 HB3 PRO A 109 18.985 -11.939 3.994 1.00 2.80 H new ATOM 0 HG2 PRO A 109 16.328 -11.351 2.736 1.00 2.70 H new ATOM 0 HG3 PRO A 109 16.773 -11.350 4.431 1.00 2.70 H new ATOM 0 HD2 PRO A 109 16.479 -9.024 3.129 1.00 2.48 H new ATOM 0 HD3 PRO A 109 17.763 -9.201 4.309 1.00 2.48 H new ATOM 1781 N ARG A 110 20.378 -11.574 0.254 1.00 3.26 N ATOM 1782 CA ARG A 110 20.546 -12.096 -1.097 1.00 3.61 C ATOM 1783 C ARG A 110 20.280 -13.597 -1.136 1.00 3.87 C ATOM 1784 O ARG A 110 19.391 -14.020 -1.904 1.00 4.38 O ATOM 1785 CB ARG A 110 21.960 -11.804 -1.607 1.00 4.21 C ATOM 1786 CG ARG A 110 22.133 -12.057 -3.095 1.00 4.62 C ATOM 1787 CD ARG A 110 21.909 -10.791 -3.906 1.00 5.34 C ATOM 1788 NE ARG A 110 20.653 -10.832 -4.651 1.00 5.83 N ATOM 1789 CZ ARG A 110 19.791 -9.821 -4.703 1.00 6.55 C ATOM 1790 NH1 ARG A 110 20.046 -8.692 -4.055 1.00 6.84 N ATOM 1791 NH2 ARG A 110 18.671 -9.938 -5.405 1.00 7.27 N ATOM 1792 OXT ARG A 110 20.963 -14.337 -0.397 1.00 4.05 O ATOM 0 H ARG A 110 21.249 -11.456 0.771 1.00 3.26 H new ATOM 0 HA ARG A 110 19.823 -11.599 -1.745 1.00 3.61 H new ATOM 0 HB2 ARG A 110 22.207 -10.764 -1.392 1.00 4.21 H new ATOM 0 HB3 ARG A 110 22.671 -12.421 -1.057 1.00 4.21 H new ATOM 0 HG2 ARG A 110 23.136 -12.440 -3.286 1.00 4.62 H new ATOM 0 HG3 ARG A 110 21.431 -12.826 -3.418 1.00 4.62 H new ATOM 0 HD2 ARG A 110 21.907 -9.929 -3.239 1.00 5.34 H new ATOM 0 HD3 ARG A 110 22.738 -10.654 -4.600 1.00 5.34 H new ATOM 0 HE ARG A 110 20.424 -11.685 -5.161 1.00 5.83 H new ATOM 0 HH11 ARG A 110 20.906 -8.597 -3.514 1.00 6.84 H new ATOM 0 HH12 ARG A 110 19.382 -7.919 -4.097 1.00 6.84 H new ATOM 0 HH21 ARG A 110 18.471 -10.804 -5.905 1.00 7.27 H new ATOM 0 HH22 ARG A 110 18.010 -9.162 -5.444 1.00 7.27 H new TER 1806 ARG A 110