USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN : amide:sc= -2.44 K(o=-2.7,f=-12!) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 142:sc= -0.29 (180deg=-2.53) USER MOD Set 2.1: A 22 GLN : amide:sc= 0.191 K(o=0.12,f=-1.5) USER MOD Set 2.2: A 39 LYS NZ :NH3+ -172:sc= -0.071 (180deg=-0.648) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0286 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 69:sc= 0.461 USER MOD Single : A 29 SER OG : rot 180:sc= -0.006 USER MOD Single : A 34 HIS : no HD1:sc= -1.35! C(o=-1.3!,f=-3.7!) USER MOD Single : A 43 THR OG1 : rot 12:sc= 0.976! USER MOD Single : A 50 GLN : amide:sc= -1.96! C(o=-2!,f=-4.6!) USER MOD Single : A 52 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.6!) USER MOD Single : A 53 SER OG : rot 82:sc= 1.26 USER MOD Single : A 54 HIS : +bothHN:sc= 0.632 K(o=0.63,f=-5.3!) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -0.0266 (180deg=-0.532) USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= -0.0822 (180deg=-0.5) USER MOD Single : A 62 GLN : amide:sc= -0.283 K(o=-0.28,f=-0.89) USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.178 (180deg=-0.879) USER MOD Single : A 68 SER OG : rot -42:sc= 0.74 USER MOD Single : A 69 GLN : amide:sc= 0.0619 K(o=0.062,f=-2.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -1.06 (180deg=-1.41) USER MOD Single : A 82 GLN : amide:sc= -1.56 K(o=-1.6,f=-3.8!) USER MOD Single : A 87 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.9!) USER MOD Single : A 89 GLN : amide:sc= -6.85! C(o=-6.8!,f=-9!) USER MOD Single : A 90 GLN :FLIP amide:sc= -1.99 F(o=-4.8!,f=-2) USER MOD Single : A 100 ASN :FLIP amide:sc= -0.3 F(o=-2.3!,f=-0.3) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.331 F(o=-0.94,f=-0.33) USER MOD Single : A 104 HIS : no HE2:sc= -0.025 X(o=-0.025,f=-0.081) USER MOD Single : A 105 HIS : no HE2:sc= -0.107 K(o=-0.11,f=-1.9) USER MOD Single : A 106 HIS : no HD1:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-7.1!) USER MOD Single : A 108 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.240 25.802 -8.977 1.00 0.00 N ATOM 2 CA MET A 1 -6.023 24.963 -9.171 1.00 0.00 C ATOM 3 C MET A 1 -5.441 24.593 -7.809 1.00 0.00 C ATOM 4 O MET A 1 -5.089 25.466 -7.016 1.00 0.00 O ATOM 5 CB MET A 1 -4.992 25.746 -9.990 1.00 0.00 C ATOM 6 CG MET A 1 -3.845 24.818 -10.398 1.00 0.00 C ATOM 7 SD MET A 1 -2.545 25.785 -11.206 1.00 0.00 S ATOM 8 CE MET A 1 -1.135 24.822 -10.607 1.00 0.00 C ATOM 0 H1 MET A 1 -7.638 26.055 -9.904 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.946 25.268 -8.431 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.986 26.668 -8.461 1.00 0.00 H new ATOM 0 HA MET A 1 -6.284 24.050 -9.706 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.463 26.169 -10.877 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.607 26.581 -9.405 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.444 24.311 -9.521 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.211 24.045 -11.074 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.211 25.252 -10.993 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.118 24.842 -9.517 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.226 23.791 -10.950 1.00 0.00 H new ATOM 20 N ASP A 2 -5.342 23.291 -7.551 1.00 0.00 N ATOM 21 CA ASP A 2 -4.801 22.803 -6.286 1.00 0.00 C ATOM 22 C ASP A 2 -3.302 22.522 -6.422 1.00 0.00 C ATOM 23 O ASP A 2 -2.547 23.374 -6.893 1.00 0.00 O ATOM 24 CB ASP A 2 -5.548 21.530 -5.861 1.00 0.00 C ATOM 25 CG ASP A 2 -5.407 21.301 -4.354 1.00 0.00 C ATOM 26 OD1 ASP A 2 -4.382 21.672 -3.802 1.00 0.00 O ATOM 27 OD2 ASP A 2 -6.328 20.754 -3.773 1.00 0.00 O ATOM 0 H ASP A 2 -5.628 22.557 -8.199 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.939 23.567 -5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.602 21.615 -6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.152 20.671 -6.403 1.00 0.00 H new ATOM 32 N GLY A 3 -2.878 21.330 -6.006 1.00 0.00 N ATOM 33 CA GLY A 3 -1.471 20.953 -6.085 1.00 0.00 C ATOM 34 C GLY A 3 -1.150 19.864 -5.068 1.00 0.00 C ATOM 35 O GLY A 3 -0.316 18.992 -5.316 1.00 0.00 O ATOM 0 H GLY A 3 -3.487 20.612 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.239 20.600 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.844 21.826 -5.902 1.00 0.00 H new ATOM 39 N VAL A 4 -1.822 19.925 -3.919 1.00 0.00 N ATOM 40 CA VAL A 4 -1.610 18.944 -2.859 1.00 0.00 C ATOM 41 C VAL A 4 -2.546 17.753 -3.043 1.00 0.00 C ATOM 42 O VAL A 4 -3.769 17.903 -3.002 1.00 0.00 O ATOM 43 CB VAL A 4 -1.860 19.585 -1.489 1.00 0.00 C ATOM 44 CG1 VAL A 4 -1.141 18.774 -0.408 1.00 0.00 C ATOM 45 CG2 VAL A 4 -1.331 21.024 -1.485 1.00 0.00 C ATOM 0 H VAL A 4 -2.515 20.641 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.578 18.597 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.931 19.595 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.318 19.229 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.521 17.753 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.071 18.762 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.511 21.475 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.261 21.019 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.845 21.603 -2.253 1.00 0.00 H new ATOM 55 N MET A 5 -1.963 16.574 -3.246 1.00 0.00 N ATOM 56 CA MET A 5 -2.749 15.358 -3.437 1.00 0.00 C ATOM 57 C MET A 5 -2.721 14.497 -2.177 1.00 0.00 C ATOM 58 O MET A 5 -1.658 14.038 -1.756 1.00 0.00 O ATOM 59 CB MET A 5 -2.188 14.558 -4.615 1.00 0.00 C ATOM 60 CG MET A 5 -2.318 15.377 -5.900 1.00 0.00 C ATOM 61 SD MET A 5 -1.435 14.540 -7.240 1.00 0.00 S ATOM 62 CE MET A 5 -1.607 15.847 -8.479 1.00 0.00 C ATOM 0 H MET A 5 -0.953 16.435 -3.282 1.00 0.00 H new ATOM 0 HA MET A 5 -3.780 15.642 -3.646 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.142 14.310 -4.434 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.726 13.615 -4.717 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.369 15.498 -6.162 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.910 16.377 -5.750 1.00 0.00 H new ATOM 0 HE1 MET A 5 -1.124 15.536 -9.405 1.00 0.00 H new ATOM 0 HE2 MET A 5 -2.664 16.034 -8.666 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.137 16.760 -8.113 1.00 0.00 H new ATOM 72 N SER A 6 -3.892 14.279 -1.582 1.00 0.00 N ATOM 73 CA SER A 6 -3.983 13.467 -0.372 1.00 0.00 C ATOM 74 C SER A 6 -3.979 11.985 -0.723 1.00 0.00 C ATOM 75 O SER A 6 -4.457 11.591 -1.787 1.00 0.00 O ATOM 76 CB SER A 6 -5.255 13.807 0.407 1.00 0.00 C ATOM 77 OG SER A 6 -6.259 14.257 -0.494 1.00 0.00 O ATOM 0 H SER A 6 -4.782 14.649 -1.914 1.00 0.00 H new ATOM 0 HA SER A 6 -3.116 13.687 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.606 12.930 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.045 14.578 1.148 1.00 0.00 H new ATOM 0 HG SER A 6 -7.074 14.473 0.006 1.00 0.00 H new ATOM 83 N ALA A 7 -3.431 11.177 0.184 1.00 0.00 N ATOM 84 CA ALA A 7 -3.348 9.728 -0.006 1.00 0.00 C ATOM 85 C ALA A 7 -2.214 9.152 0.837 1.00 0.00 C ATOM 86 O ALA A 7 -2.132 7.939 1.034 1.00 0.00 O ATOM 87 CB ALA A 7 -3.101 9.380 -1.479 1.00 0.00 C ATOM 0 H ALA A 7 -3.035 11.504 1.065 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.299 9.296 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.044 8.297 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.920 9.765 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.164 9.829 -1.807 1.00 0.00 H new ATOM 93 N VAL A 8 -1.340 10.032 1.326 1.00 0.00 N ATOM 94 CA VAL A 8 -0.204 9.607 2.142 1.00 0.00 C ATOM 95 C VAL A 8 0.187 10.709 3.126 1.00 0.00 C ATOM 96 O VAL A 8 0.435 11.847 2.728 1.00 0.00 O ATOM 97 CB VAL A 8 0.995 9.277 1.240 1.00 0.00 C ATOM 98 CG1 VAL A 8 2.234 9.013 2.101 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.684 8.028 0.406 1.00 0.00 C ATOM 0 H VAL A 8 -1.397 11.039 1.172 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.493 8.718 2.702 1.00 0.00 H new ATOM 0 HB VAL A 8 1.186 10.121 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.082 8.779 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.461 9.900 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.042 8.172 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.536 7.796 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.489 7.186 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.194 8.213 -0.213 1.00 0.00 H new ATOM 109 N THR A 9 0.237 10.356 4.408 1.00 0.00 N ATOM 110 CA THR A 9 0.598 11.316 5.448 1.00 0.00 C ATOM 111 C THR A 9 1.451 10.642 6.521 1.00 0.00 C ATOM 112 O THR A 9 1.095 9.582 7.033 1.00 0.00 O ATOM 113 CB THR A 9 -0.667 11.899 6.090 1.00 0.00 C ATOM 114 OG1 THR A 9 -1.663 12.081 5.094 1.00 0.00 O ATOM 115 CG2 THR A 9 -0.338 13.247 6.740 1.00 0.00 C ATOM 0 H THR A 9 0.033 9.417 4.751 1.00 0.00 H new ATOM 0 HA THR A 9 1.173 12.121 4.990 1.00 0.00 H new ATOM 0 HB THR A 9 -1.037 11.212 6.851 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.472 12.452 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.238 13.660 7.196 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.425 13.105 7.506 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.034 13.936 5.981 1.00 0.00 H new ATOM 123 N VAL A 10 2.578 11.266 6.856 1.00 0.00 N ATOM 124 CA VAL A 10 3.472 10.720 7.869 1.00 0.00 C ATOM 125 C VAL A 10 2.950 11.033 9.268 1.00 0.00 C ATOM 126 O VAL A 10 2.175 11.973 9.455 1.00 0.00 O ATOM 127 CB VAL A 10 4.876 11.310 7.700 1.00 0.00 C ATOM 128 CG1 VAL A 10 5.554 10.682 6.477 1.00 0.00 C ATOM 129 CG2 VAL A 10 4.784 12.829 7.509 1.00 0.00 C ATOM 0 H VAL A 10 2.891 12.144 6.443 1.00 0.00 H new ATOM 0 HA VAL A 10 3.516 9.638 7.744 1.00 0.00 H new ATOM 0 HB VAL A 10 5.463 11.095 8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.552 11.103 6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.629 9.604 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.963 10.892 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.786 13.242 7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.192 13.049 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.308 13.277 8.381 1.00 0.00 H new ATOM 139 N ASN A 11 3.378 10.236 10.244 1.00 0.00 N ATOM 140 CA ASN A 11 2.951 10.428 11.627 1.00 0.00 C ATOM 141 C ASN A 11 4.107 10.148 12.582 1.00 0.00 C ATOM 142 O ASN A 11 5.040 9.415 12.251 1.00 0.00 O ATOM 143 CB ASN A 11 1.776 9.498 11.968 1.00 0.00 C ATOM 144 CG ASN A 11 0.909 9.244 10.739 1.00 0.00 C ATOM 145 OD1 ASN A 11 0.811 8.109 10.273 1.00 0.00 O ATOM 146 ND2 ASN A 11 0.265 10.235 10.186 1.00 0.00 N ATOM 0 H ASN A 11 4.018 9.454 10.104 1.00 0.00 H new ATOM 0 HA ASN A 11 2.629 11.463 11.739 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.156 8.551 12.352 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.172 9.943 12.759 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.320 10.069 9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.347 11.175 10.573 1.00 0.00 H new ATOM 153 N ASP A 12 4.031 10.746 13.767 1.00 0.00 N ATOM 154 CA ASP A 12 5.064 10.581 14.791 1.00 0.00 C ATOM 155 C ASP A 12 5.282 9.109 15.157 1.00 0.00 C ATOM 156 O ASP A 12 6.149 8.798 15.977 1.00 0.00 O ATOM 157 CB ASP A 12 4.677 11.371 16.044 1.00 0.00 C ATOM 158 CG ASP A 12 3.403 10.792 16.661 1.00 0.00 C ATOM 159 OD1 ASP A 12 2.398 10.751 15.972 1.00 0.00 O ATOM 160 OD2 ASP A 12 3.453 10.400 17.816 1.00 0.00 O ATOM 0 H ASP A 12 3.260 11.354 14.045 1.00 0.00 H new ATOM 0 HA ASP A 12 6.000 10.961 14.381 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.489 11.337 16.770 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.522 12.419 15.788 1.00 0.00 H new ATOM 165 N ASP A 13 4.490 8.210 14.571 1.00 0.00 N ATOM 166 CA ASP A 13 4.615 6.784 14.876 1.00 0.00 C ATOM 167 C ASP A 13 4.566 5.929 13.609 1.00 0.00 C ATOM 168 O ASP A 13 5.136 4.837 13.570 1.00 0.00 O ATOM 169 CB ASP A 13 3.483 6.362 15.821 1.00 0.00 C ATOM 170 CG ASP A 13 3.689 4.923 16.295 1.00 0.00 C ATOM 171 OD1 ASP A 13 4.814 4.575 16.617 1.00 0.00 O ATOM 172 OD2 ASP A 13 2.714 4.188 16.333 1.00 0.00 O ATOM 0 H ASP A 13 3.765 8.439 13.892 1.00 0.00 H new ATOM 0 HA ASP A 13 5.583 6.626 15.352 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.449 7.033 16.680 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.524 6.449 15.311 1.00 0.00 H new ATOM 177 N GLY A 14 3.885 6.420 12.577 1.00 0.00 N ATOM 178 CA GLY A 14 3.777 5.673 11.326 1.00 0.00 C ATOM 179 C GLY A 14 3.370 6.578 10.172 1.00 0.00 C ATOM 180 O GLY A 14 3.721 7.755 10.145 1.00 0.00 O ATOM 0 H GLY A 14 3.405 7.320 12.580 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.732 5.200 11.100 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.044 4.874 11.440 1.00 0.00 H new ATOM 184 N LEU A 15 2.631 6.015 9.218 1.00 0.00 N ATOM 185 CA LEU A 15 2.177 6.780 8.059 1.00 0.00 C ATOM 186 C LEU A 15 0.812 6.281 7.595 1.00 0.00 C ATOM 187 O LEU A 15 0.628 5.090 7.339 1.00 0.00 O ATOM 188 CB LEU A 15 3.188 6.662 6.909 1.00 0.00 C ATOM 189 CG LEU A 15 3.785 5.248 6.870 1.00 0.00 C ATOM 190 CD1 LEU A 15 3.948 4.794 5.416 1.00 0.00 C ATOM 191 CD2 LEU A 15 5.156 5.251 7.555 1.00 0.00 C ATOM 0 H LEU A 15 2.336 5.039 9.224 1.00 0.00 H new ATOM 0 HA LEU A 15 2.093 7.827 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.699 6.884 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.983 7.397 7.037 1.00 0.00 H new ATOM 0 HG LEU A 15 3.116 4.563 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.372 3.790 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.975 4.788 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.614 5.481 4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.579 4.247 7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.821 5.940 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.044 5.569 8.592 1.00 0.00 H new ATOM 203 N VAL A 16 -0.141 7.205 7.490 1.00 0.00 N ATOM 204 CA VAL A 16 -1.492 6.865 7.055 1.00 0.00 C ATOM 205 C VAL A 16 -1.589 6.927 5.532 1.00 0.00 C ATOM 206 O VAL A 16 -0.980 7.792 4.900 1.00 0.00 O ATOM 207 CB VAL A 16 -2.497 7.838 7.680 1.00 0.00 C ATOM 208 CG1 VAL A 16 -3.912 7.493 7.209 1.00 0.00 C ATOM 209 CG2 VAL A 16 -2.427 7.732 9.206 1.00 0.00 C ATOM 0 H VAL A 16 -0.002 8.193 7.700 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.722 5.850 7.380 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.253 8.855 7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.624 8.187 7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.963 7.570 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.159 6.476 7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.142 8.424 9.652 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.668 6.714 9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.421 7.983 9.542 1.00 0.00 H new ATOM 219 N LEU A 17 -2.352 6.005 4.945 1.00 0.00 N ATOM 220 CA LEU A 17 -2.511 5.972 3.491 1.00 0.00 C ATOM 221 C LEU A 17 -3.887 5.439 3.098 1.00 0.00 C ATOM 222 O LEU A 17 -4.379 4.472 3.678 1.00 0.00 O ATOM 223 CB LEU A 17 -1.424 5.091 2.861 1.00 0.00 C ATOM 224 CG LEU A 17 -1.309 3.769 3.634 1.00 0.00 C ATOM 225 CD1 LEU A 17 -0.993 2.628 2.664 1.00 0.00 C ATOM 226 CD2 LEU A 17 -0.187 3.879 4.672 1.00 0.00 C ATOM 0 H LEU A 17 -2.864 5.279 5.446 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.416 6.993 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.665 4.892 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.468 5.614 2.873 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.254 3.564 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.912 1.692 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.791 2.546 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.050 2.832 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.106 2.941 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.756 4.087 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.413 4.687 5.367 1.00 0.00 H new ATOM 238 N ARG A 18 -4.497 6.078 2.099 1.00 0.00 N ATOM 239 CA ARG A 18 -5.814 5.663 1.614 1.00 0.00 C ATOM 240 C ARG A 18 -5.671 4.596 0.525 1.00 0.00 C ATOM 241 O ARG A 18 -5.131 4.862 -0.549 1.00 0.00 O ATOM 242 CB ARG A 18 -6.576 6.872 1.066 1.00 0.00 C ATOM 243 CG ARG A 18 -7.264 7.605 2.223 1.00 0.00 C ATOM 244 CD ARG A 18 -7.560 9.055 1.821 1.00 0.00 C ATOM 245 NE ARG A 18 -6.317 9.801 1.657 1.00 0.00 N ATOM 246 CZ ARG A 18 -5.522 10.059 2.692 1.00 0.00 C ATOM 247 NH1 ARG A 18 -5.814 11.031 3.512 1.00 0.00 N ATOM 248 NH2 ARG A 18 -4.453 9.338 2.889 1.00 0.00 N ATOM 0 H ARG A 18 -4.102 6.882 1.611 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.373 5.238 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.891 7.545 0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.316 6.549 0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.191 7.096 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.626 7.587 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.128 9.073 0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.179 9.531 2.581 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.052 10.132 0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.652 11.593 3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.205 11.229 4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.227 8.576 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.843 9.536 3.683 1.00 0.00 H new ATOM 262 N LEU A 19 -6.151 3.390 0.821 1.00 0.00 N ATOM 263 CA LEU A 19 -6.067 2.274 -0.124 1.00 0.00 C ATOM 264 C LEU A 19 -7.356 2.135 -0.938 1.00 0.00 C ATOM 265 O LEU A 19 -8.335 2.849 -0.712 1.00 0.00 O ATOM 266 CB LEU A 19 -5.830 0.959 0.636 1.00 0.00 C ATOM 267 CG LEU A 19 -4.446 0.942 1.303 1.00 0.00 C ATOM 268 CD1 LEU A 19 -3.351 1.069 0.242 1.00 0.00 C ATOM 269 CD2 LEU A 19 -4.322 2.094 2.305 1.00 0.00 C ATOM 0 H LEU A 19 -6.602 3.159 1.706 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.237 2.479 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.603 0.830 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.915 0.118 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.330 -0.004 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.374 1.056 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.422 0.235 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.476 2.007 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.336 2.068 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.454 3.043 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.088 1.991 3.074 1.00 0.00 H new ATOM 281 N TYR A 20 -7.340 1.179 -1.869 1.00 0.00 N ATOM 282 CA TYR A 20 -8.490 0.890 -2.718 1.00 0.00 C ATOM 283 C TYR A 20 -8.375 -0.553 -3.208 1.00 0.00 C ATOM 284 O TYR A 20 -7.869 -0.818 -4.299 1.00 0.00 O ATOM 285 CB TYR A 20 -8.539 1.855 -3.910 1.00 0.00 C ATOM 286 CG TYR A 20 -9.910 1.793 -4.544 1.00 0.00 C ATOM 287 CD1 TYR A 20 -10.948 2.597 -4.052 1.00 0.00 C ATOM 288 CD2 TYR A 20 -10.146 0.930 -5.622 1.00 0.00 C ATOM 289 CE1 TYR A 20 -12.217 2.537 -4.637 1.00 0.00 C ATOM 290 CE2 TYR A 20 -11.416 0.871 -6.207 1.00 0.00 C ATOM 291 CZ TYR A 20 -12.451 1.674 -5.716 1.00 0.00 C ATOM 292 OH TYR A 20 -13.703 1.613 -6.291 1.00 0.00 O ATOM 0 H TYR A 20 -6.530 0.587 -2.053 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.410 1.020 -2.148 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.324 2.871 -3.580 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.775 1.589 -4.640 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.768 3.263 -3.221 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -9.347 0.310 -6.002 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.017 3.156 -4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.597 0.205 -7.038 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.694 0.966 -7.027 1.00 0.00 H new ATOM 302 N ILE A 21 -8.814 -1.480 -2.361 1.00 0.00 N ATOM 303 CA ILE A 21 -8.730 -2.905 -2.669 1.00 0.00 C ATOM 304 C ILE A 21 -9.836 -3.346 -3.627 1.00 0.00 C ATOM 305 O ILE A 21 -10.872 -2.698 -3.745 1.00 0.00 O ATOM 306 CB ILE A 21 -8.818 -3.715 -1.364 1.00 0.00 C ATOM 307 CG1 ILE A 21 -7.517 -3.549 -0.563 1.00 0.00 C ATOM 308 CG2 ILE A 21 -9.022 -5.198 -1.682 1.00 0.00 C ATOM 309 CD1 ILE A 21 -7.374 -2.103 -0.081 1.00 0.00 C ATOM 0 H ILE A 21 -9.232 -1.270 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.775 -3.088 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.661 -3.349 -0.779 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.518 -4.226 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.662 -3.820 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.083 -5.764 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.946 -5.325 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.182 -5.562 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.449 -1.998 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.351 -1.433 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.220 -1.847 0.556 1.00 0.00 H new ATOM 321 N GLN A 22 -9.592 -4.470 -4.299 1.00 0.00 N ATOM 322 CA GLN A 22 -10.550 -5.033 -5.246 1.00 0.00 C ATOM 323 C GLN A 22 -10.583 -6.556 -5.092 1.00 0.00 C ATOM 324 O GLN A 22 -9.763 -7.264 -5.678 1.00 0.00 O ATOM 325 CB GLN A 22 -10.150 -4.665 -6.679 1.00 0.00 C ATOM 326 CG GLN A 22 -10.474 -3.191 -6.943 1.00 0.00 C ATOM 327 CD GLN A 22 -9.693 -2.695 -8.155 1.00 0.00 C ATOM 328 OE1 GLN A 22 -10.284 -2.386 -9.190 1.00 0.00 O ATOM 329 NE2 GLN A 22 -8.394 -2.598 -8.089 1.00 0.00 N ATOM 0 H GLN A 22 -8.733 -5.011 -4.203 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.540 -4.625 -5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.085 -4.846 -6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.683 -5.297 -7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.544 -3.070 -7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.222 -2.592 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.906 -2.854 -7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.866 -2.266 -8.896 1.00 0.00 H new ATOM 338 N PRO A 23 -11.502 -7.061 -4.306 1.00 0.00 N ATOM 339 CA PRO A 23 -11.632 -8.525 -4.058 1.00 0.00 C ATOM 340 C PRO A 23 -12.139 -9.276 -5.287 1.00 0.00 C ATOM 341 O PRO A 23 -12.969 -8.763 -6.040 1.00 0.00 O ATOM 342 CB PRO A 23 -12.627 -8.641 -2.894 1.00 0.00 C ATOM 343 CG PRO A 23 -13.025 -7.248 -2.506 1.00 0.00 C ATOM 344 CD PRO A 23 -12.516 -6.291 -3.583 1.00 0.00 C ATOM 0 HA PRO A 23 -10.666 -8.974 -3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.500 -9.221 -3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -12.172 -9.160 -2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -14.108 -7.174 -2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.603 -6.988 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.321 -5.974 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.091 -5.388 -3.144 1.00 0.00 H new ATOM 352 N LYS A 24 -11.632 -10.494 -5.475 1.00 0.00 N ATOM 353 CA LYS A 24 -12.031 -11.321 -6.612 1.00 0.00 C ATOM 354 C LYS A 24 -11.879 -10.545 -7.919 1.00 0.00 C ATOM 355 O LYS A 24 -12.871 -10.184 -8.555 1.00 0.00 O ATOM 356 CB LYS A 24 -13.489 -11.774 -6.446 1.00 0.00 C ATOM 357 CG LYS A 24 -13.693 -12.380 -5.052 1.00 0.00 C ATOM 358 CD LYS A 24 -15.159 -12.805 -4.887 1.00 0.00 C ATOM 359 CE LYS A 24 -16.016 -11.583 -4.544 1.00 0.00 C ATOM 360 NZ LYS A 24 -17.362 -12.032 -4.085 1.00 0.00 N ATOM 0 H LYS A 24 -10.947 -10.928 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.383 -12.196 -6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.160 -10.926 -6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.740 -12.508 -7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.037 -13.240 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.426 -11.653 -4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.519 -13.267 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.244 -13.553 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.532 -10.994 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.114 -10.938 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.944 -11.202 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.823 -12.577 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.259 -12.631 -3.241 1.00 0.00 H new ATOM 373 N ALA A 25 -10.633 -10.282 -8.314 1.00 0.00 N ATOM 374 CA ALA A 25 -10.381 -9.537 -9.544 1.00 0.00 C ATOM 375 C ALA A 25 -8.921 -9.648 -9.981 1.00 0.00 C ATOM 376 O ALA A 25 -8.008 -9.390 -9.197 1.00 0.00 O ATOM 377 CB ALA A 25 -10.736 -8.064 -9.338 1.00 0.00 C ATOM 0 H ALA A 25 -9.795 -10.569 -7.808 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.005 -9.968 -10.327 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.546 -7.512 -10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.790 -7.977 -9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.125 -7.651 -8.535 1.00 0.00 H new ATOM 383 N SER A 26 -8.726 -10.015 -11.251 1.00 0.00 N ATOM 384 CA SER A 26 -7.390 -10.152 -11.842 1.00 0.00 C ATOM 385 C SER A 26 -6.349 -10.636 -10.829 1.00 0.00 C ATOM 386 O SER A 26 -5.208 -10.172 -10.831 1.00 0.00 O ATOM 387 CB SER A 26 -6.953 -8.807 -12.430 1.00 0.00 C ATOM 388 OG SER A 26 -6.553 -7.937 -11.379 1.00 0.00 O ATOM 0 H SER A 26 -9.487 -10.225 -11.897 1.00 0.00 H new ATOM 0 HA SER A 26 -7.453 -10.907 -12.626 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.129 -8.954 -13.128 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.773 -8.361 -12.993 1.00 0.00 H new ATOM 0 HG SER A 26 -5.716 -8.262 -10.986 1.00 0.00 H new ATOM 394 N ARG A 27 -6.746 -11.581 -9.976 1.00 0.00 N ATOM 395 CA ARG A 27 -5.838 -12.134 -8.968 1.00 0.00 C ATOM 396 C ARG A 27 -5.045 -11.024 -8.273 1.00 0.00 C ATOM 397 O ARG A 27 -5.506 -9.885 -8.173 1.00 0.00 O ATOM 398 CB ARG A 27 -4.873 -13.122 -9.636 1.00 0.00 C ATOM 399 CG ARG A 27 -4.581 -14.286 -8.684 1.00 0.00 C ATOM 400 CD ARG A 27 -3.458 -15.150 -9.265 1.00 0.00 C ATOM 401 NE ARG A 27 -3.471 -16.476 -8.653 1.00 0.00 N ATOM 402 CZ ARG A 27 -4.242 -17.448 -9.130 1.00 0.00 C ATOM 403 NH1 ARG A 27 -5.477 -17.559 -8.724 1.00 0.00 N ATOM 404 NH2 ARG A 27 -3.764 -18.292 -10.005 1.00 0.00 N ATOM 0 H ARG A 27 -7.685 -11.978 -9.962 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.432 -12.650 -8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.307 -13.498 -10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.945 -12.615 -9.901 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.292 -13.905 -7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.479 -14.886 -8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.580 -15.239 -10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.494 -14.671 -9.091 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.877 -16.660 -7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.850 -16.900 -8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.069 -18.305 -9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.799 -18.205 -10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.356 -19.038 -10.371 1.00 0.00 H new ATOM 418 N ASP A 28 -3.852 -11.368 -7.790 1.00 0.00 N ATOM 419 CA ASP A 28 -3.000 -10.401 -7.107 1.00 0.00 C ATOM 420 C ASP A 28 -2.481 -9.356 -8.089 1.00 0.00 C ATOM 421 O ASP A 28 -1.683 -9.667 -8.973 1.00 0.00 O ATOM 422 CB ASP A 28 -1.819 -11.120 -6.449 1.00 0.00 C ATOM 423 CG ASP A 28 -2.297 -11.992 -5.284 1.00 0.00 C ATOM 424 OD1 ASP A 28 -3.492 -12.019 -5.027 1.00 0.00 O ATOM 425 OD2 ASP A 28 -1.458 -12.625 -4.667 1.00 0.00 O ATOM 0 H ASP A 28 -3.456 -12.306 -7.859 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.592 -9.899 -6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.307 -11.738 -7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.096 -10.388 -6.089 1.00 0.00 H new ATOM 430 N SER A 29 -2.941 -8.117 -7.928 1.00 0.00 N ATOM 431 CA SER A 29 -2.516 -7.032 -8.807 1.00 0.00 C ATOM 432 C SER A 29 -2.171 -5.787 -7.996 1.00 0.00 C ATOM 433 O SER A 29 -3.021 -5.237 -7.294 1.00 0.00 O ATOM 434 CB SER A 29 -3.624 -6.711 -9.815 1.00 0.00 C ATOM 435 OG SER A 29 -3.539 -5.346 -10.205 1.00 0.00 O ATOM 0 H SER A 29 -3.603 -7.841 -7.203 1.00 0.00 H new ATOM 0 HA SER A 29 -1.624 -7.352 -9.346 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.531 -7.355 -10.689 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.600 -6.913 -9.373 1.00 0.00 H new ATOM 0 HG SER A 29 -4.248 -5.145 -10.851 1.00 0.00 H new ATOM 441 N ILE A 30 -0.919 -5.348 -8.107 1.00 0.00 N ATOM 442 CA ILE A 30 -0.460 -4.163 -7.390 1.00 0.00 C ATOM 443 C ILE A 30 -0.340 -2.988 -8.355 1.00 0.00 C ATOM 444 O ILE A 30 0.767 -2.583 -8.718 1.00 0.00 O ATOM 445 CB ILE A 30 0.902 -4.428 -6.729 1.00 0.00 C ATOM 446 CG1 ILE A 30 0.983 -5.886 -6.267 1.00 0.00 C ATOM 447 CG2 ILE A 30 1.078 -3.498 -5.524 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.372 -6.163 -5.684 1.00 0.00 C ATOM 0 H ILE A 30 -0.207 -5.794 -8.685 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.187 -3.924 -6.614 1.00 0.00 H new ATOM 0 HB ILE A 30 1.693 -4.238 -7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.217 -6.084 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.789 -6.555 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.044 -3.687 -5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.032 -2.461 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.283 -3.684 -4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.428 -7.201 -5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.129 -5.982 -6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.548 -5.503 -4.834 1.00 0.00 H new ATOM 460 N VAL A 31 -1.482 -2.448 -8.776 1.00 0.00 N ATOM 461 CA VAL A 31 -1.482 -1.325 -9.707 1.00 0.00 C ATOM 462 C VAL A 31 -0.632 -0.183 -9.150 1.00 0.00 C ATOM 463 O VAL A 31 0.567 -0.111 -9.417 1.00 0.00 O ATOM 464 CB VAL A 31 -2.920 -0.846 -9.948 1.00 0.00 C ATOM 465 CG1 VAL A 31 -2.918 0.330 -10.930 1.00 0.00 C ATOM 466 CG2 VAL A 31 -3.749 -1.995 -10.535 1.00 0.00 C ATOM 0 H VAL A 31 -2.408 -2.766 -8.491 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.055 -1.650 -10.656 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.354 -0.525 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.941 0.666 -11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.330 1.149 -10.515 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.481 0.013 -11.877 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.771 -1.656 -10.707 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.309 -2.315 -11.480 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.757 -2.832 -9.837 1.00 0.00 H new ATOM 476 N GLY A 32 -1.252 0.696 -8.364 1.00 0.00 N ATOM 477 CA GLY A 32 -0.522 1.809 -7.768 1.00 0.00 C ATOM 478 C GLY A 32 -1.219 3.136 -8.037 1.00 0.00 C ATOM 479 O GLY A 32 -0.580 4.088 -8.487 1.00 0.00 O ATOM 0 H GLY A 32 -2.244 0.659 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.433 1.654 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.491 1.840 -8.170 1.00 0.00 H new ATOM 483 N LEU A 33 -2.524 3.209 -7.776 1.00 0.00 N ATOM 484 CA LEU A 33 -3.249 4.450 -8.025 1.00 0.00 C ATOM 485 C LEU A 33 -2.710 5.574 -7.148 1.00 0.00 C ATOM 486 O LEU A 33 -2.206 5.346 -6.051 1.00 0.00 O ATOM 487 CB LEU A 33 -4.761 4.275 -7.814 1.00 0.00 C ATOM 488 CG LEU A 33 -5.520 4.814 -9.035 1.00 0.00 C ATOM 489 CD1 LEU A 33 -7.012 4.500 -8.896 1.00 0.00 C ATOM 490 CD2 LEU A 33 -5.326 6.330 -9.145 1.00 0.00 C ATOM 0 H LEU A 33 -3.087 2.445 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.091 4.719 -9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.997 3.222 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.076 4.805 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.130 4.336 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.547 4.884 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.152 3.421 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.400 4.971 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.868 6.704 -10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.707 6.812 -8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.265 6.554 -9.255 1.00 0.00 H new ATOM 502 N HIS A 34 -2.809 6.787 -7.667 1.00 0.00 N ATOM 503 CA HIS A 34 -2.331 7.974 -6.964 1.00 0.00 C ATOM 504 C HIS A 34 -3.303 9.139 -7.173 1.00 0.00 C ATOM 505 O HIS A 34 -4.204 9.062 -8.008 1.00 0.00 O ATOM 506 CB HIS A 34 -0.937 8.353 -7.481 1.00 0.00 C ATOM 507 CG HIS A 34 -0.486 9.642 -6.850 1.00 0.00 C ATOM 508 ND1 HIS A 34 -0.303 9.769 -5.483 1.00 0.00 N ATOM 509 CD2 HIS A 34 -0.185 10.870 -7.384 1.00 0.00 C ATOM 510 CE1 HIS A 34 0.091 11.032 -5.240 1.00 0.00 C ATOM 511 NE2 HIS A 34 0.179 11.747 -6.365 1.00 0.00 N ATOM 0 H HIS A 34 -3.219 6.980 -8.581 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.271 7.757 -5.898 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.227 7.559 -7.252 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.959 8.458 -8.566 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.224 11.118 -8.434 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.309 11.420 -4.256 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.454 12.725 -6.458 1.00 0.00 H new ATOM 519 N GLY A 35 -3.108 10.215 -6.413 1.00 0.00 N ATOM 520 CA GLY A 35 -3.966 11.391 -6.525 1.00 0.00 C ATOM 521 C GLY A 35 -4.949 11.470 -5.364 1.00 0.00 C ATOM 522 O GLY A 35 -5.233 12.552 -4.850 1.00 0.00 O ATOM 0 H GLY A 35 -2.367 10.296 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.352 12.291 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.514 11.356 -7.467 1.00 0.00 H new ATOM 526 N ASP A 36 -5.465 10.314 -4.954 1.00 0.00 N ATOM 527 CA ASP A 36 -6.420 10.258 -3.851 1.00 0.00 C ATOM 528 C ASP A 36 -6.348 8.907 -3.144 1.00 0.00 C ATOM 529 O ASP A 36 -6.487 8.826 -1.922 1.00 0.00 O ATOM 530 CB ASP A 36 -7.841 10.484 -4.380 1.00 0.00 C ATOM 531 CG ASP A 36 -8.826 10.571 -3.216 1.00 0.00 C ATOM 532 OD1 ASP A 36 -8.763 11.543 -2.482 1.00 0.00 O ATOM 533 OD2 ASP A 36 -9.632 9.662 -3.079 1.00 0.00 O ATOM 0 H ASP A 36 -5.240 9.409 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.167 11.042 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.877 11.402 -4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.124 9.669 -5.046 1.00 0.00 H new ATOM 538 N GLU A 37 -6.139 7.851 -3.925 1.00 0.00 N ATOM 539 CA GLU A 37 -6.058 6.500 -3.378 1.00 0.00 C ATOM 540 C GLU A 37 -5.087 5.652 -4.195 1.00 0.00 C ATOM 541 O GLU A 37 -4.420 6.160 -5.094 1.00 0.00 O ATOM 542 CB GLU A 37 -7.447 5.854 -3.391 1.00 0.00 C ATOM 543 CG GLU A 37 -7.996 5.840 -4.824 1.00 0.00 C ATOM 544 CD GLU A 37 -9.497 5.554 -4.815 1.00 0.00 C ATOM 545 OE1 GLU A 37 -10.182 6.085 -3.956 1.00 0.00 O ATOM 546 OE2 GLU A 37 -9.941 4.810 -5.674 1.00 0.00 O ATOM 0 H GLU A 37 -6.023 7.904 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.694 6.558 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.390 4.837 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.122 6.407 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.805 6.800 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.478 5.082 -5.412 1.00 0.00 H new ATOM 553 N VAL A 38 -5.021 4.361 -3.874 1.00 0.00 N ATOM 554 CA VAL A 38 -4.135 3.434 -4.581 1.00 0.00 C ATOM 555 C VAL A 38 -4.868 2.125 -4.843 1.00 0.00 C ATOM 556 O VAL A 38 -5.482 1.546 -3.939 1.00 0.00 O ATOM 557 CB VAL A 38 -2.875 3.163 -3.754 1.00 0.00 C ATOM 558 CG1 VAL A 38 -1.806 2.526 -4.647 1.00 0.00 C ATOM 559 CG2 VAL A 38 -2.343 4.480 -3.179 1.00 0.00 C ATOM 0 H VAL A 38 -5.570 3.932 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.841 3.884 -5.529 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.118 2.484 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.909 2.333 -4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.183 1.587 -5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.564 3.204 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.446 4.284 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.101 5.161 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.103 4.932 -2.542 1.00 0.00 H new ATOM 569 N LYS A 39 -4.818 1.681 -6.094 1.00 0.00 N ATOM 570 CA LYS A 39 -5.501 0.455 -6.496 1.00 0.00 C ATOM 571 C LYS A 39 -4.760 -0.793 -6.027 1.00 0.00 C ATOM 572 O LYS A 39 -3.530 -0.860 -6.072 1.00 0.00 O ATOM 573 CB LYS A 39 -5.646 0.416 -8.020 1.00 0.00 C ATOM 574 CG LYS A 39 -7.071 0.812 -8.411 1.00 0.00 C ATOM 575 CD LYS A 39 -7.279 0.558 -9.906 1.00 0.00 C ATOM 576 CE LYS A 39 -8.647 1.097 -10.336 1.00 0.00 C ATOM 577 NZ LYS A 39 -9.693 0.624 -9.383 1.00 0.00 N ATOM 0 H LYS A 39 -4.313 2.150 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.484 0.459 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.930 1.096 -8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.421 -0.584 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.792 0.237 -7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.243 1.864 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.490 1.043 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.216 -0.510 -10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.629 2.187 -10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.881 0.760 -11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.634 0.875 -9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.626 -0.409 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.549 1.076 -8.457 1.00 0.00 H new ATOM 590 N VAL A 40 -5.540 -1.785 -5.604 1.00 0.00 N ATOM 591 CA VAL A 40 -5.008 -3.063 -5.139 1.00 0.00 C ATOM 592 C VAL A 40 -6.066 -4.136 -5.374 1.00 0.00 C ATOM 593 O VAL A 40 -7.260 -3.867 -5.238 1.00 0.00 O ATOM 594 CB VAL A 40 -4.664 -3.008 -3.642 1.00 0.00 C ATOM 595 CG1 VAL A 40 -3.731 -4.170 -3.287 1.00 0.00 C ATOM 596 CG2 VAL A 40 -3.969 -1.683 -3.305 1.00 0.00 C ATOM 0 H VAL A 40 -6.558 -1.725 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.094 -3.290 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.587 -3.085 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.488 -4.130 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.226 -5.115 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.815 -4.093 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.731 -1.657 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.050 -1.596 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.631 -0.852 -3.549 1.00 0.00 H new ATOM 606 N ALA A 41 -5.641 -5.340 -5.744 1.00 0.00 N ATOM 607 CA ALA A 41 -6.600 -6.410 -6.003 1.00 0.00 C ATOM 608 C ALA A 41 -6.045 -7.774 -5.616 1.00 0.00 C ATOM 609 O ALA A 41 -4.870 -8.068 -5.837 1.00 0.00 O ATOM 610 CB ALA A 41 -6.985 -6.417 -7.485 1.00 0.00 C ATOM 0 H ALA A 41 -4.662 -5.597 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.480 -6.218 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.701 -7.218 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.435 -5.460 -7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.094 -6.579 -8.092 1.00 0.00 H new ATOM 616 N ILE A 42 -6.920 -8.602 -5.052 1.00 0.00 N ATOM 617 CA ILE A 42 -6.557 -9.954 -4.639 1.00 0.00 C ATOM 618 C ILE A 42 -7.743 -10.883 -4.883 1.00 0.00 C ATOM 619 O ILE A 42 -8.898 -10.470 -4.762 1.00 0.00 O ATOM 620 CB ILE A 42 -6.168 -9.982 -3.149 1.00 0.00 C ATOM 621 CG1 ILE A 42 -6.959 -8.912 -2.382 1.00 0.00 C ATOM 622 CG2 ILE A 42 -4.666 -9.714 -2.999 1.00 0.00 C ATOM 623 CD1 ILE A 42 -6.724 -9.073 -0.876 1.00 0.00 C ATOM 0 H ILE A 42 -7.893 -8.357 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.698 -10.287 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.402 -10.965 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.649 -7.918 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -8.022 -9.003 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.396 -9.735 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.104 -10.481 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.428 -8.735 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.287 -8.312 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.056 -10.062 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.662 -8.960 -0.659 1.00 0.00 H new ATOM 635 N THR A 43 -7.456 -12.132 -5.232 1.00 0.00 N ATOM 636 CA THR A 43 -8.516 -13.103 -5.498 1.00 0.00 C ATOM 637 C THR A 43 -9.203 -13.525 -4.195 1.00 0.00 C ATOM 638 O THR A 43 -10.062 -14.409 -4.192 1.00 0.00 O ATOM 639 CB THR A 43 -7.927 -14.330 -6.218 1.00 0.00 C ATOM 640 OG1 THR A 43 -8.807 -15.438 -6.087 1.00 0.00 O ATOM 641 CG2 THR A 43 -6.566 -14.684 -5.613 1.00 0.00 C ATOM 0 H THR A 43 -6.509 -12.496 -5.337 1.00 0.00 H new ATOM 0 HA THR A 43 -9.265 -12.639 -6.140 1.00 0.00 H new ATOM 0 HB THR A 43 -7.802 -14.093 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.669 -15.131 -5.736 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.154 -15.553 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.886 -13.839 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.687 -14.912 -4.554 1.00 0.00 H new ATOM 649 N ALA A 44 -8.826 -12.877 -3.092 1.00 0.00 N ATOM 650 CA ALA A 44 -9.414 -13.184 -1.789 1.00 0.00 C ATOM 651 C ALA A 44 -10.568 -12.227 -1.479 1.00 0.00 C ATOM 652 O ALA A 44 -10.386 -11.009 -1.491 1.00 0.00 O ATOM 653 CB ALA A 44 -8.349 -13.069 -0.696 1.00 0.00 C ATOM 0 H ALA A 44 -8.120 -12.141 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.799 -14.203 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.795 -13.299 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.541 -13.772 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.952 -12.054 -0.680 1.00 0.00 H new ATOM 659 N PRO A 45 -11.741 -12.755 -1.203 1.00 0.00 N ATOM 660 CA PRO A 45 -12.938 -11.924 -0.879 1.00 0.00 C ATOM 661 C PRO A 45 -12.675 -10.975 0.294 1.00 0.00 C ATOM 662 O PRO A 45 -11.581 -10.968 0.856 1.00 0.00 O ATOM 663 CB PRO A 45 -14.041 -12.929 -0.516 1.00 0.00 C ATOM 664 CG PRO A 45 -13.458 -14.305 -0.629 1.00 0.00 C ATOM 665 CD PRO A 45 -12.038 -14.192 -1.183 1.00 0.00 C ATOM 0 HA PRO A 45 -13.212 -11.289 -1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.404 -12.749 0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.894 -12.819 -1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.445 -14.791 0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.071 -14.923 -1.285 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.328 -14.731 -0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.971 -14.621 -2.183 1.00 0.00 H new ATOM 673 N PRO A 46 -13.653 -10.184 0.667 1.00 0.00 N ATOM 674 CA PRO A 46 -13.532 -9.216 1.793 1.00 0.00 C ATOM 675 C PRO A 46 -13.612 -9.902 3.159 1.00 0.00 C ATOM 676 O PRO A 46 -13.716 -9.237 4.190 1.00 0.00 O ATOM 677 CB PRO A 46 -14.714 -8.249 1.596 1.00 0.00 C ATOM 678 CG PRO A 46 -15.450 -8.704 0.371 1.00 0.00 C ATOM 679 CD PRO A 46 -14.978 -10.121 0.054 1.00 0.00 C ATOM 0 HA PRO A 46 -12.566 -8.712 1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.370 -8.259 2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.359 -7.225 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.526 -8.687 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.250 -8.036 -0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.650 -10.871 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -14.932 -10.298 -1.021 1.00 0.00 H new ATOM 687 N VAL A 47 -13.559 -11.234 3.157 1.00 0.00 N ATOM 688 CA VAL A 47 -13.626 -11.999 4.400 1.00 0.00 C ATOM 689 C VAL A 47 -12.359 -11.778 5.226 1.00 0.00 C ATOM 690 O VAL A 47 -11.281 -12.239 4.854 1.00 0.00 O ATOM 691 CB VAL A 47 -13.786 -13.493 4.086 1.00 0.00 C ATOM 692 CG1 VAL A 47 -13.789 -14.301 5.387 1.00 0.00 C ATOM 693 CG2 VAL A 47 -15.109 -13.722 3.347 1.00 0.00 C ATOM 0 H VAL A 47 -13.470 -11.802 2.314 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.487 -11.658 4.975 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.954 -13.817 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.903 -15.360 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.849 -14.143 5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.618 -13.975 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.222 -14.783 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -15.938 -13.392 3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -15.109 -13.154 2.417 1.00 0.00 H new ATOM 703 N ASP A 48 -12.504 -11.071 6.347 1.00 0.00 N ATOM 704 CA ASP A 48 -11.370 -10.785 7.231 1.00 0.00 C ATOM 705 C ASP A 48 -10.495 -12.024 7.415 1.00 0.00 C ATOM 706 O ASP A 48 -9.290 -11.915 7.640 1.00 0.00 O ATOM 707 CB ASP A 48 -11.885 -10.308 8.592 1.00 0.00 C ATOM 708 CG ASP A 48 -10.752 -10.312 9.620 1.00 0.00 C ATOM 709 OD1 ASP A 48 -9.827 -9.532 9.459 1.00 0.00 O ATOM 710 OD2 ASP A 48 -10.826 -11.099 10.550 1.00 0.00 O ATOM 0 H ASP A 48 -13.393 -10.686 6.665 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.765 -10.002 6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.298 -9.304 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.694 -10.956 8.930 1.00 0.00 H new ATOM 715 N GLY A 49 -11.115 -13.199 7.318 1.00 0.00 N ATOM 716 CA GLY A 49 -10.395 -14.458 7.476 1.00 0.00 C ATOM 717 C GLY A 49 -9.154 -14.511 6.588 1.00 0.00 C ATOM 718 O GLY A 49 -8.029 -14.471 7.084 1.00 0.00 O ATOM 0 H GLY A 49 -12.112 -13.304 7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.103 -14.582 8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.056 -15.289 7.229 1.00 0.00 H new ATOM 722 N GLN A 50 -9.369 -14.614 5.278 1.00 0.00 N ATOM 723 CA GLN A 50 -8.256 -14.690 4.328 1.00 0.00 C ATOM 724 C GLN A 50 -7.971 -13.333 3.687 1.00 0.00 C ATOM 725 O GLN A 50 -6.850 -13.077 3.243 1.00 0.00 O ATOM 726 CB GLN A 50 -8.564 -15.722 3.235 1.00 0.00 C ATOM 727 CG GLN A 50 -10.038 -15.631 2.816 1.00 0.00 C ATOM 728 CD GLN A 50 -10.903 -16.510 3.717 1.00 0.00 C ATOM 729 OE1 GLN A 50 -10.420 -17.061 4.707 1.00 0.00 O ATOM 730 NE2 GLN A 50 -12.168 -16.676 3.433 1.00 0.00 N ATOM 0 H GLN A 50 -10.295 -14.647 4.851 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.369 -14.997 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.922 -15.549 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.344 -16.725 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.376 -14.596 2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.148 -15.944 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.571 -16.221 2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.752 -17.261 4.031 1.00 0.00 H new ATOM 739 N ALA A 51 -8.981 -12.470 3.631 1.00 0.00 N ATOM 740 CA ALA A 51 -8.809 -11.148 3.031 1.00 0.00 C ATOM 741 C ALA A 51 -7.722 -10.368 3.765 1.00 0.00 C ATOM 742 O ALA A 51 -6.773 -9.879 3.150 1.00 0.00 O ATOM 743 CB ALA A 51 -10.125 -10.366 3.082 1.00 0.00 C ATOM 0 H ALA A 51 -9.918 -12.657 3.989 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.511 -11.280 1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.982 -9.384 2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.893 -10.909 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.438 -10.248 4.119 1.00 0.00 H new ATOM 749 N ASN A 52 -7.870 -10.259 5.081 1.00 0.00 N ATOM 750 CA ASN A 52 -6.898 -9.539 5.895 1.00 0.00 C ATOM 751 C ASN A 52 -5.578 -10.304 5.967 1.00 0.00 C ATOM 752 O ASN A 52 -4.514 -9.706 6.132 1.00 0.00 O ATOM 753 CB ASN A 52 -7.457 -9.335 7.305 1.00 0.00 C ATOM 754 CG ASN A 52 -6.623 -8.311 8.069 1.00 0.00 C ATOM 755 OD1 ASN A 52 -5.627 -7.804 7.552 1.00 0.00 O ATOM 756 ND2 ASN A 52 -6.974 -7.974 9.278 1.00 0.00 N ATOM 0 H ASN A 52 -8.649 -10.658 5.604 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.709 -8.570 5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.492 -8.999 7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.460 -10.284 7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.424 -7.290 9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.799 -8.394 9.705 1.00 0.00 H new ATOM 763 N SER A 53 -5.649 -11.630 5.841 1.00 0.00 N ATOM 764 CA SER A 53 -4.445 -12.453 5.891 1.00 0.00 C ATOM 765 C SER A 53 -3.449 -11.998 4.829 1.00 0.00 C ATOM 766 O SER A 53 -2.425 -11.393 5.149 1.00 0.00 O ATOM 767 CB SER A 53 -4.797 -13.926 5.666 1.00 0.00 C ATOM 768 OG SER A 53 -5.452 -14.435 6.821 1.00 0.00 O ATOM 0 H SER A 53 -6.516 -12.149 5.705 1.00 0.00 H new ATOM 0 HA SER A 53 -3.993 -12.341 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.442 -14.028 4.793 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.893 -14.501 5.463 1.00 0.00 H new ATOM 0 HG SER A 53 -6.402 -14.194 6.791 1.00 0.00 H new ATOM 774 N HIS A 54 -3.761 -12.287 3.566 1.00 0.00 N ATOM 775 CA HIS A 54 -2.890 -11.894 2.463 1.00 0.00 C ATOM 776 C HIS A 54 -2.557 -10.409 2.555 1.00 0.00 C ATOM 777 O HIS A 54 -1.410 -10.014 2.376 1.00 0.00 O ATOM 778 CB HIS A 54 -3.560 -12.193 1.116 1.00 0.00 C ATOM 779 CG HIS A 54 -2.514 -12.260 0.031 1.00 0.00 C ATOM 780 ND1 HIS A 54 -1.274 -11.651 0.159 1.00 0.00 N ATOM 781 CD2 HIS A 54 -2.509 -12.863 -1.203 1.00 0.00 C ATOM 782 CE1 HIS A 54 -0.583 -11.898 -0.969 1.00 0.00 C ATOM 783 NE2 HIS A 54 -1.288 -12.631 -1.832 1.00 0.00 N ATOM 0 H HIS A 54 -4.604 -12.788 3.284 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.968 -12.471 2.533 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.102 -13.137 1.170 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -4.291 -11.419 0.883 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -0.946 -11.114 0.962 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.327 -13.430 -1.622 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.421 -11.545 -1.153 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.996 -12.953 -2.755 1.00 0.00 H new ATOM 791 N LEU A 55 -3.574 -9.595 2.836 1.00 0.00 N ATOM 792 CA LEU A 55 -3.387 -8.150 2.952 1.00 0.00 C ATOM 793 C LEU A 55 -2.136 -7.828 3.771 1.00 0.00 C ATOM 794 O LEU A 55 -1.238 -7.131 3.298 1.00 0.00 O ATOM 795 CB LEU A 55 -4.620 -7.524 3.613 1.00 0.00 C ATOM 796 CG LEU A 55 -4.481 -5.998 3.647 1.00 0.00 C ATOM 797 CD1 LEU A 55 -4.767 -5.422 2.256 1.00 0.00 C ATOM 798 CD2 LEU A 55 -5.485 -5.424 4.653 1.00 0.00 C ATOM 0 H LEU A 55 -4.532 -9.910 2.987 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.258 -7.734 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.519 -7.803 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.734 -7.909 4.626 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.467 -5.731 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.667 -4.337 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.057 -5.833 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.781 -5.686 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.391 -4.338 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.497 -5.693 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.282 -5.832 5.643 1.00 0.00 H new ATOM 810 N VAL A 56 -2.083 -8.345 4.998 1.00 0.00 N ATOM 811 CA VAL A 56 -0.936 -8.107 5.874 1.00 0.00 C ATOM 812 C VAL A 56 0.339 -8.688 5.265 1.00 0.00 C ATOM 813 O VAL A 56 1.357 -8.003 5.169 1.00 0.00 O ATOM 814 CB VAL A 56 -1.191 -8.738 7.252 1.00 0.00 C ATOM 815 CG1 VAL A 56 0.108 -8.764 8.069 1.00 0.00 C ATOM 816 CG2 VAL A 56 -2.242 -7.911 8.002 1.00 0.00 C ATOM 0 H VAL A 56 -2.815 -8.927 5.406 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.806 -7.031 5.988 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.549 -9.759 7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.084 -9.213 9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.859 -9.351 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.473 -7.746 8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.425 -8.356 8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.879 -6.891 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.170 -7.897 7.430 1.00 0.00 H new ATOM 826 N LYS A 57 0.273 -9.954 4.859 1.00 0.00 N ATOM 827 CA LYS A 57 1.427 -10.625 4.262 1.00 0.00 C ATOM 828 C LYS A 57 1.935 -9.861 3.039 1.00 0.00 C ATOM 829 O LYS A 57 3.137 -9.634 2.897 1.00 0.00 O ATOM 830 CB LYS A 57 1.048 -12.054 3.859 1.00 0.00 C ATOM 831 CG LYS A 57 1.180 -12.982 5.072 1.00 0.00 C ATOM 832 CD LYS A 57 2.621 -13.494 5.179 1.00 0.00 C ATOM 833 CE LYS A 57 2.847 -14.130 6.555 1.00 0.00 C ATOM 834 NZ LYS A 57 1.691 -15.007 6.899 1.00 0.00 N ATOM 0 H LYS A 57 -0.563 -10.534 4.932 1.00 0.00 H new ATOM 0 HA LYS A 57 2.225 -10.654 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.026 -12.077 3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.695 -12.399 3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.906 -12.448 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.492 -13.822 4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.816 -14.225 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.321 -12.672 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.769 -14.712 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.964 -13.353 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.971 -15.672 7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.899 -14.422 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.396 -15.539 6.056 1.00 0.00 H new ATOM 847 N PHE A 58 1.012 -9.470 2.165 1.00 0.00 N ATOM 848 CA PHE A 58 1.369 -8.731 0.955 1.00 0.00 C ATOM 849 C PHE A 58 2.224 -7.519 1.317 1.00 0.00 C ATOM 850 O PHE A 58 3.422 -7.486 1.035 1.00 0.00 O ATOM 851 CB PHE A 58 0.097 -8.275 0.227 1.00 0.00 C ATOM 852 CG PHE A 58 0.291 -8.363 -1.272 1.00 0.00 C ATOM 853 CD1 PHE A 58 1.525 -8.031 -1.849 1.00 0.00 C ATOM 854 CD2 PHE A 58 -0.771 -8.776 -2.087 1.00 0.00 C ATOM 855 CE1 PHE A 58 1.695 -8.113 -3.235 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.600 -8.857 -3.474 1.00 0.00 C ATOM 857 CZ PHE A 58 0.633 -8.525 -4.048 1.00 0.00 C ATOM 0 H PHE A 58 0.014 -9.651 2.270 1.00 0.00 H new ATOM 0 HA PHE A 58 1.941 -9.384 0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.746 -8.897 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.145 -7.251 0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.345 -7.712 -1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.722 -9.032 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.646 -7.858 -3.678 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.419 -9.176 -4.101 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.765 -8.587 -5.118 1.00 0.00 H new ATOM 867 N LEU A 59 1.598 -6.532 1.957 1.00 0.00 N ATOM 868 CA LEU A 59 2.308 -5.326 2.371 1.00 0.00 C ATOM 869 C LEU A 59 3.442 -5.690 3.326 1.00 0.00 C ATOM 870 O LEU A 59 4.358 -4.898 3.553 1.00 0.00 O ATOM 871 CB LEU A 59 1.341 -4.362 3.069 1.00 0.00 C ATOM 872 CG LEU A 59 0.578 -3.542 2.023 1.00 0.00 C ATOM 873 CD1 LEU A 59 -0.451 -4.431 1.318 1.00 0.00 C ATOM 874 CD2 LEU A 59 -0.143 -2.381 2.716 1.00 0.00 C ATOM 0 H LEU A 59 0.607 -6.545 2.198 1.00 0.00 H new ATOM 0 HA LEU A 59 2.723 -4.842 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.640 -4.921 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.893 -3.697 3.734 1.00 0.00 H new ATOM 0 HG LEU A 59 1.281 -3.152 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.991 -3.844 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.060 -5.258 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.155 -4.824 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.687 -1.796 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.844 -2.775 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.588 -1.745 3.215 1.00 0.00 H new ATOM 886 N GLY A 60 3.367 -6.898 3.881 1.00 0.00 N ATOM 887 CA GLY A 60 4.378 -7.377 4.815 1.00 0.00 C ATOM 888 C GLY A 60 5.740 -7.486 4.144 1.00 0.00 C ATOM 889 O GLY A 60 6.684 -6.806 4.537 1.00 0.00 O ATOM 0 H GLY A 60 2.615 -7.562 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.442 -6.698 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.083 -8.351 5.206 1.00 0.00 H new ATOM 893 N LYS A 61 5.834 -8.346 3.134 1.00 0.00 N ATOM 894 CA LYS A 61 7.093 -8.541 2.417 1.00 0.00 C ATOM 895 C LYS A 61 7.518 -7.264 1.696 1.00 0.00 C ATOM 896 O LYS A 61 8.710 -6.981 1.569 1.00 0.00 O ATOM 897 CB LYS A 61 6.940 -9.678 1.402 1.00 0.00 C ATOM 898 CG LYS A 61 8.324 -10.133 0.925 1.00 0.00 C ATOM 899 CD LYS A 61 8.183 -11.376 0.039 1.00 0.00 C ATOM 900 CE LYS A 61 7.988 -10.954 -1.421 1.00 0.00 C ATOM 901 NZ LYS A 61 9.257 -10.377 -1.950 1.00 0.00 N ATOM 0 H LYS A 61 5.060 -8.916 2.794 1.00 0.00 H new ATOM 0 HA LYS A 61 7.863 -8.798 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.408 -10.514 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.344 -9.343 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.809 -9.331 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.959 -10.356 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.071 -12.002 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.335 -11.975 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.690 -11.813 -2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.185 -10.220 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.297 -10.513 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.293 -9.361 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.067 -10.855 -1.506 1.00 0.00 H new ATOM 914 N GLN A 62 6.537 -6.501 1.216 1.00 0.00 N ATOM 915 CA GLN A 62 6.821 -5.263 0.496 1.00 0.00 C ATOM 916 C GLN A 62 7.663 -4.306 1.342 1.00 0.00 C ATOM 917 O GLN A 62 8.831 -4.073 1.044 1.00 0.00 O ATOM 918 CB GLN A 62 5.511 -4.581 0.088 1.00 0.00 C ATOM 919 CG GLN A 62 4.849 -5.375 -1.043 1.00 0.00 C ATOM 920 CD GLN A 62 5.635 -5.197 -2.341 1.00 0.00 C ATOM 921 OE1 GLN A 62 6.562 -5.960 -2.615 1.00 0.00 O ATOM 922 NE2 GLN A 62 5.316 -4.232 -3.159 1.00 0.00 N ATOM 0 H GLN A 62 5.545 -6.717 1.312 1.00 0.00 H new ATOM 0 HA GLN A 62 7.392 -5.518 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.839 -4.519 0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.707 -3.559 -0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.804 -6.431 -0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.822 -5.037 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.548 -3.602 -2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.835 -4.108 -4.028 1.00 0.00 H new ATOM 931 N PHE A 63 7.060 -3.752 2.393 1.00 0.00 N ATOM 932 CA PHE A 63 7.763 -2.810 3.268 1.00 0.00 C ATOM 933 C PHE A 63 8.489 -3.552 4.391 1.00 0.00 C ATOM 934 O PHE A 63 9.060 -2.927 5.286 1.00 0.00 O ATOM 935 CB PHE A 63 6.748 -1.846 3.903 1.00 0.00 C ATOM 936 CG PHE A 63 6.247 -0.850 2.884 1.00 0.00 C ATOM 937 CD1 PHE A 63 5.550 -1.288 1.751 1.00 0.00 C ATOM 938 CD2 PHE A 63 6.472 0.519 3.078 1.00 0.00 C ATOM 939 CE1 PHE A 63 5.081 -0.359 0.814 1.00 0.00 C ATOM 940 CE2 PHE A 63 6.004 1.447 2.142 1.00 0.00 C ATOM 941 CZ PHE A 63 5.310 1.008 1.008 1.00 0.00 C ATOM 0 H PHE A 63 6.093 -3.936 2.660 1.00 0.00 H new ATOM 0 HA PHE A 63 8.490 -2.263 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.909 -2.410 4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.212 -1.319 4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.374 -2.343 1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.008 0.859 3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.542 -0.698 -0.059 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.178 2.502 2.294 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.952 1.724 0.283 1.00 0.00 H new ATOM 951 N ARG A 64 8.451 -4.884 4.345 1.00 0.00 N ATOM 952 CA ARG A 64 9.092 -5.706 5.371 1.00 0.00 C ATOM 953 C ARG A 64 8.687 -5.228 6.765 1.00 0.00 C ATOM 954 O ARG A 64 9.506 -4.693 7.510 1.00 0.00 O ATOM 955 CB ARG A 64 10.619 -5.651 5.231 1.00 0.00 C ATOM 956 CG ARG A 64 11.238 -6.789 6.050 1.00 0.00 C ATOM 957 CD ARG A 64 12.728 -6.920 5.722 1.00 0.00 C ATOM 958 NE ARG A 64 13.360 -7.872 6.631 1.00 0.00 N ATOM 959 CZ ARG A 64 13.350 -7.677 7.946 1.00 0.00 C ATOM 960 NH1 ARG A 64 12.309 -8.030 8.649 1.00 0.00 N ATOM 961 NH2 ARG A 64 14.382 -7.137 8.535 1.00 0.00 N ATOM 0 H ARG A 64 7.984 -5.415 3.610 1.00 0.00 H new ATOM 0 HA ARG A 64 8.762 -6.736 5.236 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.904 -5.743 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.994 -4.689 5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.107 -6.595 7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.725 -7.726 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.854 -7.251 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.214 -5.948 5.806 1.00 0.00 H new ATOM 0 HE ARG A 64 13.817 -8.701 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.504 -8.455 8.190 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.301 -7.881 9.658 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.197 -6.864 7.986 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.373 -6.988 9.544 1.00 0.00 H new ATOM 975 N VAL A 65 7.418 -5.424 7.107 1.00 0.00 N ATOM 976 CA VAL A 65 6.914 -5.006 8.414 1.00 0.00 C ATOM 977 C VAL A 65 6.467 -6.214 9.226 1.00 0.00 C ATOM 978 O VAL A 65 6.025 -7.223 8.673 1.00 0.00 O ATOM 979 CB VAL A 65 5.742 -4.033 8.242 1.00 0.00 C ATOM 980 CG1 VAL A 65 6.273 -2.660 7.819 1.00 0.00 C ATOM 981 CG2 VAL A 65 4.782 -4.561 7.168 1.00 0.00 C ATOM 0 H VAL A 65 6.723 -5.866 6.505 1.00 0.00 H new ATOM 0 HA VAL A 65 7.720 -4.504 8.949 1.00 0.00 H new ATOM 0 HB VAL A 65 5.210 -3.943 9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.439 -1.969 7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.950 -2.280 8.584 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.809 -2.752 6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.951 -3.866 7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.313 -4.657 6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.399 -5.536 7.470 1.00 0.00 H new ATOM 991 N ALA A 66 6.600 -6.102 10.543 1.00 0.00 N ATOM 992 CA ALA A 66 6.225 -7.187 11.442 1.00 0.00 C ATOM 993 C ALA A 66 4.719 -7.445 11.412 1.00 0.00 C ATOM 994 O ALA A 66 3.931 -6.578 11.030 1.00 0.00 O ATOM 995 CB ALA A 66 6.657 -6.845 12.871 1.00 0.00 C ATOM 0 H ALA A 66 6.964 -5.272 11.011 1.00 0.00 H new ATOM 0 HA ALA A 66 6.731 -8.092 11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.375 -7.658 13.541 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.738 -6.708 12.901 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.166 -5.926 13.190 1.00 0.00 H new ATOM 1001 N LYS A 67 4.342 -8.647 11.833 1.00 0.00 N ATOM 1002 CA LYS A 67 2.942 -9.059 11.882 1.00 0.00 C ATOM 1003 C LYS A 67 2.225 -8.395 13.059 1.00 0.00 C ATOM 1004 O LYS A 67 1.248 -8.929 13.585 1.00 0.00 O ATOM 1005 CB LYS A 67 2.847 -10.584 12.006 1.00 0.00 C ATOM 1006 CG LYS A 67 3.479 -11.237 10.772 1.00 0.00 C ATOM 1007 CD LYS A 67 2.824 -12.600 10.516 1.00 0.00 C ATOM 1008 CE LYS A 67 3.177 -13.569 11.649 1.00 0.00 C ATOM 1009 NZ LYS A 67 4.658 -13.677 11.777 1.00 0.00 N ATOM 0 H LYS A 67 4.996 -9.363 12.150 1.00 0.00 H new ATOM 0 HA LYS A 67 2.458 -8.744 10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.357 -10.919 12.909 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.804 -10.888 12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.352 -10.592 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.551 -11.361 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.742 -12.486 10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.164 -13.003 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.746 -13.219 12.587 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.748 -14.550 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.900 -14.552 12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.088 -13.696 10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.021 -12.859 12.306 1.00 0.00 H new ATOM 1022 N SER A 68 2.730 -7.236 13.475 1.00 0.00 N ATOM 1023 CA SER A 68 2.149 -6.512 14.602 1.00 0.00 C ATOM 1024 C SER A 68 2.607 -5.053 14.589 1.00 0.00 C ATOM 1025 O SER A 68 2.495 -4.339 15.587 1.00 0.00 O ATOM 1026 CB SER A 68 2.570 -7.175 15.918 1.00 0.00 C ATOM 1027 OG SER A 68 1.868 -6.571 16.998 1.00 0.00 O ATOM 0 H SER A 68 3.537 -6.780 13.050 1.00 0.00 H new ATOM 0 HA SER A 68 1.063 -6.541 14.514 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.357 -8.243 15.884 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.645 -7.069 16.064 1.00 0.00 H new ATOM 0 HG SER A 68 1.837 -5.600 16.866 1.00 0.00 H new ATOM 1033 N GLN A 69 3.064 -4.615 13.418 1.00 0.00 N ATOM 1034 CA GLN A 69 3.478 -3.233 13.207 1.00 0.00 C ATOM 1035 C GLN A 69 2.497 -2.597 12.228 1.00 0.00 C ATOM 1036 O GLN A 69 2.363 -1.377 12.149 1.00 0.00 O ATOM 1037 CB GLN A 69 4.899 -3.175 12.634 1.00 0.00 C ATOM 1038 CG GLN A 69 5.913 -3.086 13.778 1.00 0.00 C ATOM 1039 CD GLN A 69 7.319 -2.896 13.217 1.00 0.00 C ATOM 1040 OE1 GLN A 69 7.800 -3.728 12.447 1.00 0.00 O ATOM 1041 NE2 GLN A 69 8.011 -1.843 13.558 1.00 0.00 N ATOM 0 H GLN A 69 3.157 -5.207 12.593 1.00 0.00 H new ATOM 0 HA GLN A 69 3.479 -2.696 14.156 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.094 -4.061 12.030 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.001 -2.312 11.976 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.660 -2.254 14.435 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.873 -3.993 14.381 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.611 -1.155 14.196 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.951 -1.708 13.187 1.00 0.00 H new ATOM 1050 N VAL A 70 1.799 -3.470 11.501 1.00 0.00 N ATOM 1051 CA VAL A 70 0.798 -3.062 10.528 1.00 0.00 C ATOM 1052 C VAL A 70 -0.569 -3.008 11.210 1.00 0.00 C ATOM 1053 O VAL A 70 -1.022 -4.005 11.776 1.00 0.00 O ATOM 1054 CB VAL A 70 0.788 -4.080 9.373 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -0.622 -4.230 8.793 1.00 0.00 C ATOM 1056 CG2 VAL A 70 1.743 -3.611 8.274 1.00 0.00 C ATOM 0 H VAL A 70 1.916 -4.481 11.574 1.00 0.00 H new ATOM 0 HA VAL A 70 1.030 -2.074 10.130 1.00 0.00 H new ATOM 0 HB VAL A 70 1.110 -5.047 9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.605 -4.954 7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.301 -4.576 9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.964 -3.267 8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.737 -4.331 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.422 -2.638 7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.752 -3.530 8.679 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.213 -1.845 11.173 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.517 -1.689 11.815 1.00 0.00 C ATOM 1068 C VAL A 71 -3.532 -1.066 10.860 1.00 0.00 C ATOM 1069 O VAL A 71 -3.351 0.058 10.388 1.00 0.00 O ATOM 1070 CB VAL A 71 -2.384 -0.810 13.064 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -3.743 -0.700 13.765 1.00 0.00 C ATOM 1072 CG2 VAL A 71 -1.366 -1.435 14.026 1.00 0.00 C ATOM 0 H VAL A 71 -0.860 -1.006 10.712 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.873 -2.680 12.098 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.046 0.183 12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.645 -0.075 14.652 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.468 -0.254 13.085 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.083 -1.694 14.057 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.272 -0.809 14.914 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.704 -2.430 14.317 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.397 -1.511 13.532 1.00 0.00 H new ATOM 1082 N ILE A 72 -4.607 -1.808 10.596 1.00 0.00 N ATOM 1083 CA ILE A 72 -5.670 -1.330 9.717 1.00 0.00 C ATOM 1084 C ILE A 72 -6.537 -0.316 10.455 1.00 0.00 C ATOM 1085 O ILE A 72 -6.865 -0.511 11.626 1.00 0.00 O ATOM 1086 CB ILE A 72 -6.529 -2.508 9.248 1.00 0.00 C ATOM 1087 CG1 ILE A 72 -5.665 -3.474 8.431 1.00 0.00 C ATOM 1088 CG2 ILE A 72 -7.683 -2.000 8.378 1.00 0.00 C ATOM 1089 CD1 ILE A 72 -6.297 -4.866 8.449 1.00 0.00 C ATOM 0 H ILE A 72 -4.763 -2.741 10.978 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.222 -0.849 8.847 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.936 -3.023 10.118 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.574 -3.118 7.405 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.657 -3.515 8.844 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.289 -2.844 8.049 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.301 -1.314 8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.281 -1.480 7.508 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.682 -5.553 7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.365 -5.222 9.477 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.296 -4.818 8.015 1.00 0.00 H new ATOM 1101 N GLU A 73 -6.896 0.767 9.773 1.00 0.00 N ATOM 1102 CA GLU A 73 -7.715 1.805 10.390 1.00 0.00 C ATOM 1103 C GLU A 73 -9.204 1.546 10.169 1.00 0.00 C ATOM 1104 O GLU A 73 -9.929 1.238 11.114 1.00 0.00 O ATOM 1105 CB GLU A 73 -7.335 3.176 9.824 1.00 0.00 C ATOM 1106 CG GLU A 73 -5.951 3.583 10.350 1.00 0.00 C ATOM 1107 CD GLU A 73 -5.668 5.055 10.045 1.00 0.00 C ATOM 1108 OE1 GLU A 73 -6.602 5.775 9.727 1.00 0.00 O ATOM 1109 OE2 GLU A 73 -4.517 5.444 10.139 1.00 0.00 O ATOM 0 H GLU A 73 -6.636 0.948 8.803 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.526 1.788 11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.326 3.141 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.078 3.919 10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.901 3.413 11.426 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.184 2.958 9.893 1.00 0.00 H new ATOM 1116 N LYS A 74 -9.658 1.680 8.921 1.00 0.00 N ATOM 1117 CA LYS A 74 -11.073 1.469 8.600 1.00 0.00 C ATOM 1118 C LYS A 74 -11.254 1.089 7.135 1.00 0.00 C ATOM 1119 O LYS A 74 -10.282 0.967 6.390 1.00 0.00 O ATOM 1120 CB LYS A 74 -11.868 2.752 8.865 1.00 0.00 C ATOM 1121 CG LYS A 74 -11.952 3.022 10.370 1.00 0.00 C ATOM 1122 CD LYS A 74 -13.020 4.089 10.647 1.00 0.00 C ATOM 1123 CE LYS A 74 -12.587 5.426 10.037 1.00 0.00 C ATOM 1124 NZ LYS A 74 -13.334 6.540 10.689 1.00 0.00 N ATOM 0 H LYS A 74 -9.074 1.931 8.123 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.436 0.658 9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.391 3.594 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.871 2.659 8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.197 2.102 10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.984 3.357 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.976 3.779 10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.167 4.199 11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.514 5.567 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.778 5.426 8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.038 7.446 10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.355 6.407 10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.131 6.544 11.709 1.00 0.00 H new ATOM 1137 N GLY A 75 -12.513 0.915 6.733 1.00 0.00 N ATOM 1138 CA GLY A 75 -12.836 0.558 5.355 1.00 0.00 C ATOM 1139 C GLY A 75 -12.375 -0.858 5.032 1.00 0.00 C ATOM 1140 O GLY A 75 -12.316 -1.250 3.865 1.00 0.00 O ATOM 0 H GLY A 75 -13.324 1.016 7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.912 0.638 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.361 1.263 4.673 1.00 0.00 H new ATOM 1144 N GLU A 76 -12.046 -1.615 6.075 1.00 0.00 N ATOM 1145 CA GLU A 76 -11.582 -2.992 5.904 1.00 0.00 C ATOM 1146 C GLU A 76 -12.528 -3.795 5.010 1.00 0.00 C ATOM 1147 O GLU A 76 -12.091 -4.660 4.252 1.00 0.00 O ATOM 1148 CB GLU A 76 -11.456 -3.683 7.271 1.00 0.00 C ATOM 1149 CG GLU A 76 -12.638 -3.297 8.172 1.00 0.00 C ATOM 1150 CD GLU A 76 -12.306 -2.044 8.983 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -11.281 -2.040 9.646 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -13.084 -1.106 8.928 1.00 0.00 O ATOM 0 H GLU A 76 -12.091 -1.302 7.045 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.605 -2.954 5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.428 -4.765 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.518 -3.396 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.524 -3.119 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.874 -4.121 8.845 1.00 0.00 H new ATOM 1159 N LEU A 77 -13.825 -3.509 5.110 1.00 0.00 N ATOM 1160 CA LEU A 77 -14.823 -4.221 4.310 1.00 0.00 C ATOM 1161 C LEU A 77 -15.124 -3.486 3.000 1.00 0.00 C ATOM 1162 O LEU A 77 -16.272 -3.132 2.732 1.00 0.00 O ATOM 1163 CB LEU A 77 -16.120 -4.378 5.116 1.00 0.00 C ATOM 1164 CG LEU A 77 -15.818 -4.994 6.488 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -17.133 -5.246 7.230 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -15.068 -6.321 6.308 1.00 0.00 C ATOM 0 H LEU A 77 -14.208 -2.796 5.731 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.415 -5.201 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.598 -3.407 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.821 -5.010 4.571 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.198 -4.308 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.922 -5.684 8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.663 -4.303 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -17.752 -5.931 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.856 -6.754 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.683 -7.011 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.132 -6.141 5.780 1.00 0.00 H new ATOM 1178 N GLY A 78 -14.095 -3.266 2.180 1.00 0.00 N ATOM 1179 CA GLY A 78 -14.291 -2.580 0.902 1.00 0.00 C ATOM 1180 C GLY A 78 -12.977 -2.067 0.319 1.00 0.00 C ATOM 1181 O GLY A 78 -11.902 -2.295 0.878 1.00 0.00 O ATOM 0 H GLY A 78 -13.134 -3.547 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.760 -3.262 0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.976 -1.744 1.041 1.00 0.00 H new ATOM 1185 N ARG A 79 -13.082 -1.359 -0.808 1.00 0.00 N ATOM 1186 CA ARG A 79 -11.911 -0.794 -1.476 1.00 0.00 C ATOM 1187 C ARG A 79 -11.401 0.393 -0.678 1.00 0.00 C ATOM 1188 O ARG A 79 -10.274 0.373 -0.181 1.00 0.00 O ATOM 1189 CB ARG A 79 -12.275 -0.338 -2.897 1.00 0.00 C ATOM 1190 CG ARG A 79 -13.263 -1.322 -3.531 1.00 0.00 C ATOM 1191 CD ARG A 79 -14.674 -0.729 -3.500 1.00 0.00 C ATOM 1192 NE ARG A 79 -15.658 -1.742 -3.864 1.00 0.00 N ATOM 1193 CZ ARG A 79 -16.180 -2.555 -2.951 1.00 0.00 C ATOM 1194 NH1 ARG A 79 -17.118 -2.126 -2.154 1.00 0.00 N ATOM 1195 NH2 ARG A 79 -15.753 -3.785 -2.855 1.00 0.00 N ATOM 0 H ARG A 79 -13.967 -1.164 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.136 -1.558 -1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.713 0.659 -2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.374 -0.271 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.970 -1.535 -4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.244 -2.269 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -14.891 -0.343 -2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.737 0.113 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.951 -1.828 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.452 -1.165 -2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -17.518 -2.751 -1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -15.020 -4.121 -3.480 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -16.152 -4.410 -2.155 1.00 0.00 H new ATOM 1209 N HIS A 80 -12.246 1.414 -0.543 1.00 0.00 N ATOM 1210 CA HIS A 80 -11.881 2.598 0.222 1.00 0.00 C ATOM 1211 C HIS A 80 -11.499 2.175 1.635 1.00 0.00 C ATOM 1212 O HIS A 80 -12.351 2.057 2.516 1.00 0.00 O ATOM 1213 CB HIS A 80 -13.055 3.584 0.260 1.00 0.00 C ATOM 1214 CG HIS A 80 -12.550 4.964 0.590 1.00 0.00 C ATOM 1215 ND1 HIS A 80 -13.228 6.110 0.206 1.00 0.00 N ATOM 1216 CD2 HIS A 80 -11.436 5.398 1.268 1.00 0.00 C ATOM 1217 CE1 HIS A 80 -12.525 7.167 0.653 1.00 0.00 C ATOM 1218 NE2 HIS A 80 -11.423 6.789 1.306 1.00 0.00 N ATOM 0 H HIS A 80 -13.180 1.443 -0.951 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.033 3.094 -0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -13.565 3.594 -0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.785 3.266 1.004 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.685 4.757 1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.817 8.196 0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.722 7.391 1.739 1.00 0.00 H new ATOM 1226 N LYS A 81 -10.210 1.915 1.825 1.00 0.00 N ATOM 1227 CA LYS A 81 -9.702 1.466 3.114 1.00 0.00 C ATOM 1228 C LYS A 81 -8.452 2.247 3.482 1.00 0.00 C ATOM 1229 O LYS A 81 -7.699 2.669 2.609 1.00 0.00 O ATOM 1230 CB LYS A 81 -9.371 -0.030 3.024 1.00 0.00 C ATOM 1231 CG LYS A 81 -8.990 -0.582 4.402 1.00 0.00 C ATOM 1232 CD LYS A 81 -8.073 -1.800 4.236 1.00 0.00 C ATOM 1233 CE LYS A 81 -8.706 -2.804 3.266 1.00 0.00 C ATOM 1234 NZ LYS A 81 -8.082 -4.142 3.465 1.00 0.00 N ATOM 0 H LYS A 81 -9.498 2.008 1.101 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.457 1.633 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.230 -0.575 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.550 -0.185 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.486 0.188 4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.888 -0.863 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.099 -1.484 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.904 -2.273 5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.781 -2.863 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.563 -2.473 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.666 -4.869 3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.130 -4.147 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.013 -4.345 4.483 1.00 0.00 H new ATOM 1247 N GLN A 82 -8.238 2.441 4.777 1.00 0.00 N ATOM 1248 CA GLN A 82 -7.074 3.178 5.243 1.00 0.00 C ATOM 1249 C GLN A 82 -6.227 2.304 6.161 1.00 0.00 C ATOM 1250 O GLN A 82 -6.754 1.565 6.992 1.00 0.00 O ATOM 1251 CB GLN A 82 -7.525 4.441 5.983 1.00 0.00 C ATOM 1252 CG GLN A 82 -6.310 5.317 6.301 1.00 0.00 C ATOM 1253 CD GLN A 82 -6.730 6.781 6.393 1.00 0.00 C ATOM 1254 OE1 GLN A 82 -6.459 7.564 5.483 1.00 0.00 O ATOM 1255 NE2 GLN A 82 -7.380 7.201 7.444 1.00 0.00 N ATOM 0 H GLN A 82 -8.851 2.100 5.518 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.468 3.465 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.236 4.997 5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.040 4.169 6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.859 5.000 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.552 5.196 5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.604 6.552 8.198 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.664 8.178 7.511 1.00 0.00 H new ATOM 1264 N ILE A 83 -4.908 2.396 5.998 1.00 0.00 N ATOM 1265 CA ILE A 83 -3.984 1.614 6.810 1.00 0.00 C ATOM 1266 C ILE A 83 -2.968 2.537 7.479 1.00 0.00 C ATOM 1267 O ILE A 83 -2.912 3.732 7.182 1.00 0.00 O ATOM 1268 CB ILE A 83 -3.240 0.583 5.942 1.00 0.00 C ATOM 1269 CG1 ILE A 83 -4.215 -0.097 4.968 1.00 0.00 C ATOM 1270 CG2 ILE A 83 -2.605 -0.479 6.845 1.00 0.00 C ATOM 1271 CD1 ILE A 83 -3.433 -0.995 4.006 1.00 0.00 C ATOM 0 H ILE A 83 -4.459 3.003 5.313 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.559 1.088 7.572 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.466 1.096 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.945 -0.688 5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.771 0.655 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.078 -1.210 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.901 -0.003 7.528 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.384 -0.981 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.125 -1.477 3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.720 -0.392 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.897 -1.756 4.573 1.00 0.00 H new ATOM 1283 N LYS A 84 -2.171 1.974 8.385 1.00 0.00 N ATOM 1284 CA LYS A 84 -1.161 2.751 9.096 1.00 0.00 C ATOM 1285 C LYS A 84 0.073 1.894 9.365 1.00 0.00 C ATOM 1286 O LYS A 84 0.042 0.980 10.189 1.00 0.00 O ATOM 1287 CB LYS A 84 -1.741 3.256 10.420 1.00 0.00 C ATOM 1288 CG LYS A 84 -0.826 4.335 11.009 1.00 0.00 C ATOM 1289 CD LYS A 84 -1.250 4.639 12.450 1.00 0.00 C ATOM 1290 CE LYS A 84 -0.721 6.014 12.864 1.00 0.00 C ATOM 1291 NZ LYS A 84 -1.362 7.068 12.025 1.00 0.00 N ATOM 0 H LYS A 84 -2.205 0.988 8.642 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.869 3.601 8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.740 3.661 10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.842 2.429 11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.210 3.998 10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.879 5.241 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.337 4.617 12.532 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.864 3.873 13.122 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.933 6.195 13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.362 6.049 12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.556 7.906 12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.723 7.329 11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.254 6.705 11.633 1.00 0.00 H new ATOM 1304 N ILE A 85 1.158 2.200 8.656 1.00 0.00 N ATOM 1305 CA ILE A 85 2.406 1.456 8.813 1.00 0.00 C ATOM 1306 C ILE A 85 3.266 2.091 9.904 1.00 0.00 C ATOM 1307 O ILE A 85 3.696 3.238 9.774 1.00 0.00 O ATOM 1308 CB ILE A 85 3.185 1.439 7.492 1.00 0.00 C ATOM 1309 CG1 ILE A 85 2.217 1.256 6.309 1.00 0.00 C ATOM 1310 CG2 ILE A 85 4.199 0.292 7.508 1.00 0.00 C ATOM 1311 CD1 ILE A 85 1.549 -0.121 6.374 1.00 0.00 C ATOM 0 H ILE A 85 1.198 2.954 7.970 1.00 0.00 H new ATOM 0 HA ILE A 85 2.163 0.432 9.098 1.00 0.00 H new ATOM 0 HB ILE A 85 3.710 2.387 7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.457 2.037 6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.758 1.361 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.751 0.282 6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.894 0.432 8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.675 -0.656 7.631 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.868 -0.235 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.312 -0.898 6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.991 -0.211 7.306 1.00 0.00 H new ATOM 1323 N ILE A 86 3.509 1.342 10.977 1.00 0.00 N ATOM 1324 CA ILE A 86 4.313 1.847 12.087 1.00 0.00 C ATOM 1325 C ILE A 86 5.802 1.654 11.811 1.00 0.00 C ATOM 1326 O ILE A 86 6.281 0.525 11.710 1.00 0.00 O ATOM 1327 CB ILE A 86 3.930 1.119 13.384 1.00 0.00 C ATOM 1328 CG1 ILE A 86 2.427 1.287 13.653 1.00 0.00 C ATOM 1329 CG2 ILE A 86 4.729 1.697 14.557 1.00 0.00 C ATOM 1330 CD1 ILE A 86 2.040 2.766 13.581 1.00 0.00 C ATOM 0 H ILE A 86 3.164 0.390 11.101 1.00 0.00 H new ATOM 0 HA ILE A 86 4.115 2.913 12.195 1.00 0.00 H new ATOM 0 HB ILE A 86 4.159 0.059 13.278 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.853 0.717 12.922 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.179 0.886 14.636 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.454 1.178 15.475 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.795 1.566 14.371 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.507 2.759 14.660 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.972 2.873 13.773 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.601 3.326 14.329 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.270 3.155 12.589 1.00 0.00 H new ATOM 1342 N ASN A 87 6.523 2.775 11.703 1.00 0.00 N ATOM 1343 CA ASN A 87 7.968 2.757 11.450 1.00 0.00 C ATOM 1344 C ASN A 87 8.374 1.577 10.560 1.00 0.00 C ATOM 1345 O ASN A 87 8.761 0.518 11.058 1.00 0.00 O ATOM 1346 CB ASN A 87 8.726 2.689 12.780 1.00 0.00 C ATOM 1347 CG ASN A 87 8.177 3.727 13.753 1.00 0.00 C ATOM 1348 OD1 ASN A 87 7.360 3.402 14.617 1.00 0.00 O ATOM 1349 ND2 ASN A 87 8.576 4.967 13.667 1.00 0.00 N ATOM 0 H ASN A 87 6.127 3.711 11.787 1.00 0.00 H new ATOM 0 HA ASN A 87 8.226 3.676 10.923 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.632 1.692 13.210 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.788 2.865 12.611 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.212 5.666 14.314 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.252 5.237 12.952 1.00 0.00 H new ATOM 1356 N PRO A 88 8.300 1.741 9.260 1.00 0.00 N ATOM 1357 CA PRO A 88 8.667 0.672 8.290 1.00 0.00 C ATOM 1358 C PRO A 88 10.183 0.473 8.208 1.00 0.00 C ATOM 1359 O PRO A 88 10.918 0.893 9.103 1.00 0.00 O ATOM 1360 CB PRO A 88 8.097 1.150 6.947 1.00 0.00 C ATOM 1361 CG PRO A 88 7.419 2.466 7.199 1.00 0.00 C ATOM 1362 CD PRO A 88 7.859 2.958 8.578 1.00 0.00 C ATOM 0 HA PRO A 88 8.266 -0.297 8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.891 1.261 6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 88 7.390 0.423 6.548 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.690 3.190 6.430 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.336 2.352 7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.664 3.689 8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.039 3.440 9.111 1.00 0.00 H new ATOM 1370 N GLN A 89 10.641 -0.174 7.137 1.00 0.00 N ATOM 1371 CA GLN A 89 12.071 -0.427 6.963 1.00 0.00 C ATOM 1372 C GLN A 89 12.414 -0.684 5.497 1.00 0.00 C ATOM 1373 O GLN A 89 13.495 -0.315 5.036 1.00 0.00 O ATOM 1374 CB GLN A 89 12.503 -1.635 7.807 1.00 0.00 C ATOM 1375 CG GLN A 89 11.370 -2.667 7.871 1.00 0.00 C ATOM 1376 CD GLN A 89 10.374 -2.299 8.969 1.00 0.00 C ATOM 1377 OE1 GLN A 89 9.164 -2.420 8.775 1.00 0.00 O ATOM 1378 NE2 GLN A 89 10.807 -1.856 10.118 1.00 0.00 N ATOM 0 H GLN A 89 10.051 -0.529 6.385 1.00 0.00 H new ATOM 0 HA GLN A 89 12.608 0.462 7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.395 -2.089 7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.766 -1.310 8.813 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.859 -2.715 6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.782 -3.658 8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.809 -1.755 10.281 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.144 -1.611 10.853 1.00 0.00 H new ATOM 1387 N GLN A 90 11.496 -1.319 4.769 1.00 0.00 N ATOM 1388 CA GLN A 90 11.729 -1.619 3.356 1.00 0.00 C ATOM 1389 C GLN A 90 10.675 -0.956 2.472 1.00 0.00 C ATOM 1390 O GLN A 90 9.648 -0.485 2.963 1.00 0.00 O ATOM 1391 CB GLN A 90 11.710 -3.134 3.129 1.00 0.00 C ATOM 1392 CG GLN A 90 12.838 -3.527 2.164 1.00 0.00 C ATOM 1393 CD GLN A 90 12.503 -4.835 1.448 1.00 0.00 C ATOM 1394 OE1 GLN A 90 11.439 -5.513 1.789 1.00 0.00 O flip ATOM 1395 NE2 GLN A 90 13.232 -5.252 0.549 1.00 0.00 N flip ATOM 0 H GLN A 90 10.594 -1.633 5.128 1.00 0.00 H new ATOM 0 HA GLN A 90 12.707 -1.222 3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.833 -3.655 4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.746 -3.438 2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.990 -2.734 1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.773 -3.636 2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.063 -4.725 0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.005 -6.125 0.072 1.00 0.00 H new ATOM 1404 N ILE A 91 10.955 -0.923 1.168 1.00 0.00 N ATOM 1405 CA ILE A 91 10.053 -0.320 0.182 1.00 0.00 C ATOM 1406 C ILE A 91 9.318 0.889 0.782 1.00 0.00 C ATOM 1407 O ILE A 91 8.099 0.977 0.732 1.00 0.00 O ATOM 1408 CB ILE A 91 9.057 -1.375 -0.347 1.00 0.00 C ATOM 1409 CG1 ILE A 91 9.788 -2.381 -1.254 1.00 0.00 C ATOM 1410 CG2 ILE A 91 7.957 -0.698 -1.175 1.00 0.00 C ATOM 1411 CD1 ILE A 91 11.009 -2.970 -0.543 1.00 0.00 C ATOM 0 H ILE A 91 11.808 -1.311 0.766 1.00 0.00 H new ATOM 0 HA ILE A 91 10.646 0.039 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 91 8.618 -1.888 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.106 -3.182 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.101 -1.887 -2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.261 -1.453 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.421 0.017 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.406 -0.177 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.509 -3.678 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.700 -2.168 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.689 -3.484 0.364 1.00 0.00 H new ATOM 1423 N PRO A 92 10.068 1.810 1.340 1.00 0.00 N ATOM 1424 CA PRO A 92 9.559 3.073 1.968 1.00 0.00 C ATOM 1425 C PRO A 92 8.395 3.729 1.206 1.00 0.00 C ATOM 1426 O PRO A 92 7.973 3.256 0.152 1.00 0.00 O ATOM 1427 CB PRO A 92 10.796 3.998 1.958 1.00 0.00 C ATOM 1428 CG PRO A 92 11.913 3.210 1.334 1.00 0.00 C ATOM 1429 CD PRO A 92 11.516 1.746 1.451 1.00 0.00 C ATOM 0 HA PRO A 92 9.147 2.876 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.597 4.906 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.057 4.307 2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.054 3.493 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 92 12.856 3.400 1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.958 1.140 0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 92 11.833 1.313 2.400 1.00 0.00 H new ATOM 1437 N PRO A 93 7.875 4.814 1.732 1.00 0.00 N ATOM 1438 CA PRO A 93 6.739 5.548 1.105 1.00 0.00 C ATOM 1439 C PRO A 93 7.138 6.226 -0.204 1.00 0.00 C ATOM 1440 O PRO A 93 6.370 6.223 -1.166 1.00 0.00 O ATOM 1441 CB PRO A 93 6.305 6.581 2.154 1.00 0.00 C ATOM 1442 CG PRO A 93 7.188 6.402 3.352 1.00 0.00 C ATOM 1443 CD PRO A 93 8.326 5.456 2.971 1.00 0.00 C ATOM 0 HA PRO A 93 5.932 4.867 0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.396 7.592 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.259 6.438 2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.586 7.363 3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.618 5.994 4.187 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.259 5.999 2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.509 4.721 3.754 1.00 0.00 H new ATOM 1451 N GLU A 94 8.339 6.798 -0.239 1.00 0.00 N ATOM 1452 CA GLU A 94 8.822 7.464 -1.449 1.00 0.00 C ATOM 1453 C GLU A 94 8.719 6.522 -2.647 1.00 0.00 C ATOM 1454 O GLU A 94 8.679 6.961 -3.797 1.00 0.00 O ATOM 1455 CB GLU A 94 10.276 7.914 -1.269 1.00 0.00 C ATOM 1456 CG GLU A 94 11.056 6.862 -0.477 1.00 0.00 C ATOM 1457 CD GLU A 94 12.556 7.088 -0.635 1.00 0.00 C ATOM 1458 OE1 GLU A 94 13.028 8.127 -0.201 1.00 0.00 O ATOM 1459 OE2 GLU A 94 13.213 6.218 -1.183 1.00 0.00 O ATOM 0 H GLU A 94 8.990 6.815 0.546 1.00 0.00 H new ATOM 0 HA GLU A 94 8.201 8.341 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.741 8.067 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.307 8.871 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.782 6.913 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.793 5.864 -0.827 1.00 0.00 H new ATOM 1466 N VAL A 95 8.680 5.222 -2.361 1.00 0.00 N ATOM 1467 CA VAL A 95 8.583 4.206 -3.407 1.00 0.00 C ATOM 1468 C VAL A 95 7.194 4.213 -4.045 1.00 0.00 C ATOM 1469 O VAL A 95 7.048 3.912 -5.229 1.00 0.00 O ATOM 1470 CB VAL A 95 8.862 2.821 -2.810 1.00 0.00 C ATOM 1471 CG1 VAL A 95 8.967 1.781 -3.931 1.00 0.00 C ATOM 1472 CG2 VAL A 95 10.177 2.856 -2.025 1.00 0.00 C ATOM 0 H VAL A 95 8.714 4.847 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 95 9.321 4.433 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 95 8.044 2.550 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.165 0.800 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.030 1.750 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.780 2.052 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.374 1.871 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.992 3.133 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.102 3.588 -1.221 1.00 0.00 H new ATOM 1482 N ALA A 96 6.178 4.547 -3.249 1.00 0.00 N ATOM 1483 CA ALA A 96 4.801 4.579 -3.740 1.00 0.00 C ATOM 1484 C ALA A 96 4.692 5.401 -5.023 1.00 0.00 C ATOM 1485 O ALA A 96 4.344 4.872 -6.080 1.00 0.00 O ATOM 1486 CB ALA A 96 3.874 5.169 -2.673 1.00 0.00 C ATOM 0 H ALA A 96 6.282 4.798 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 96 4.500 3.555 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.851 5.188 -3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.918 4.555 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.192 6.184 -2.436 1.00 0.00 H new ATOM 1492 N ALA A 97 4.986 6.696 -4.920 1.00 0.00 N ATOM 1493 CA ALA A 97 4.913 7.587 -6.077 1.00 0.00 C ATOM 1494 C ALA A 97 5.730 7.027 -7.239 1.00 0.00 C ATOM 1495 O ALA A 97 5.302 7.087 -8.394 1.00 0.00 O ATOM 1496 CB ALA A 97 5.440 8.973 -5.700 1.00 0.00 C ATOM 0 H ALA A 97 5.275 7.150 -4.053 1.00 0.00 H new ATOM 0 HA ALA A 97 3.871 7.666 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.383 9.632 -6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.836 9.384 -4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.477 8.892 -5.374 1.00 0.00 H new ATOM 1502 N LEU A 98 6.899 6.476 -6.921 1.00 0.00 N ATOM 1503 CA LEU A 98 7.773 5.896 -7.930 1.00 0.00 C ATOM 1504 C LEU A 98 7.964 6.859 -9.104 1.00 0.00 C ATOM 1505 O LEU A 98 7.969 6.448 -10.267 1.00 0.00 O ATOM 1506 CB LEU A 98 7.175 4.575 -8.420 1.00 0.00 C ATOM 1507 CG LEU A 98 8.253 3.736 -9.116 1.00 0.00 C ATOM 1508 CD1 LEU A 98 9.010 2.906 -8.076 1.00 0.00 C ATOM 1509 CD2 LEU A 98 7.591 2.798 -10.131 1.00 0.00 C ATOM 0 H LEU A 98 7.261 6.420 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 98 8.751 5.710 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.758 4.021 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.354 4.772 -9.110 1.00 0.00 H new ATOM 0 HG LEU A 98 8.951 4.397 -9.629 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.776 2.310 -8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.481 3.571 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.313 2.244 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.356 2.201 -10.627 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.893 2.138 -9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.053 3.387 -10.873 1.00 0.00 H new ATOM 1521 N ILE A 99 8.120 8.142 -8.787 1.00 0.00 N ATOM 1522 CA ILE A 99 8.311 9.160 -9.819 1.00 0.00 C ATOM 1523 C ILE A 99 9.701 9.039 -10.440 1.00 0.00 C ATOM 1524 O ILE A 99 10.016 9.714 -11.421 1.00 0.00 O ATOM 1525 CB ILE A 99 8.126 10.557 -9.212 1.00 0.00 C ATOM 1526 CG1 ILE A 99 8.191 11.616 -10.322 1.00 0.00 C ATOM 1527 CG2 ILE A 99 9.226 10.830 -8.181 1.00 0.00 C ATOM 1528 CD1 ILE A 99 7.520 12.906 -9.846 1.00 0.00 C ATOM 0 H ILE A 99 8.118 8.500 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 99 7.568 9.008 -10.602 1.00 0.00 H new ATOM 0 HB ILE A 99 7.154 10.604 -8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.229 11.812 -10.590 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.695 11.247 -11.219 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.087 11.824 -7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.174 10.085 -7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.201 10.776 -8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.569 13.655 -10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.477 12.705 -9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.036 13.279 -8.961 1.00 0.00 H new ATOM 1540 N ASN A 100 10.527 8.168 -9.865 1.00 0.00 N ATOM 1541 CA ASN A 100 11.880 7.958 -10.368 1.00 0.00 C ATOM 1542 C ASN A 100 11.844 7.238 -11.716 1.00 0.00 C ATOM 1543 O ASN A 100 12.888 6.965 -12.312 1.00 0.00 O ATOM 1544 CB ASN A 100 12.686 7.129 -9.359 1.00 0.00 C ATOM 1545 CG ASN A 100 14.179 7.179 -9.686 1.00 0.00 C ATOM 1546 OD1 ASN A 100 14.630 8.042 -10.557 1.00 0.00 O flip ATOM 1547 ND2 ASN A 100 14.958 6.404 -9.131 1.00 0.00 N flip ATOM 0 H ASN A 100 10.284 7.599 -9.054 1.00 0.00 H new ATOM 0 HA ASN A 100 12.357 8.929 -10.503 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.517 7.509 -8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.340 6.095 -9.372 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.608 5.729 -8.451 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.953 6.436 -9.351 1.00 0.00 H new ATOM 1554 N LEU A 101 10.633 6.942 -12.192 1.00 0.00 N ATOM 1555 CA LEU A 101 10.451 6.257 -13.471 1.00 0.00 C ATOM 1556 C LEU A 101 11.491 5.151 -13.649 1.00 0.00 C ATOM 1557 O LEU A 101 12.433 5.286 -14.434 1.00 0.00 O ATOM 1558 CB LEU A 101 10.561 7.270 -14.621 1.00 0.00 C ATOM 1559 CG LEU A 101 9.853 6.720 -15.865 1.00 0.00 C ATOM 1560 CD1 LEU A 101 8.371 7.101 -15.826 1.00 0.00 C ATOM 1561 CD2 LEU A 101 10.496 7.309 -17.126 1.00 0.00 C ATOM 0 H LEU A 101 9.763 7.167 -11.709 1.00 0.00 H new ATOM 0 HA LEU A 101 9.461 5.801 -13.482 1.00 0.00 H new ATOM 0 HB2 LEU A 101 10.114 8.219 -14.326 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.609 7.468 -14.845 1.00 0.00 H new ATOM 0 HG LEU A 101 9.948 5.634 -15.881 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.871 6.709 -16.712 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.910 6.680 -14.932 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.275 8.187 -15.806 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.991 6.917 -18.009 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.404 8.395 -17.108 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.550 7.035 -17.159 1.00 0.00 H new ATOM 1573 N GLU A 102 11.313 4.058 -12.908 1.00 0.00 N ATOM 1574 CA GLU A 102 12.238 2.929 -12.978 1.00 0.00 C ATOM 1575 C GLU A 102 13.671 3.400 -12.721 1.00 0.00 C ATOM 1576 O GLU A 102 13.945 4.040 -11.704 1.00 0.00 O ATOM 1577 CB GLU A 102 12.135 2.250 -14.351 1.00 0.00 C ATOM 1578 CG GLU A 102 10.726 1.675 -14.542 1.00 0.00 C ATOM 1579 CD GLU A 102 10.666 0.235 -14.027 1.00 0.00 C ATOM 1580 OE1 GLU A 102 11.034 0.016 -12.885 1.00 0.00 O ATOM 1581 OE2 GLU A 102 10.249 -0.625 -14.785 1.00 0.00 O ATOM 0 H GLU A 102 10.540 3.931 -12.255 1.00 0.00 H new ATOM 0 HA GLU A 102 11.970 2.205 -12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.354 2.969 -15.140 1.00 0.00 H new ATOM 0 HB3 GLU A 102 12.876 1.455 -14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.000 2.289 -14.010 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.454 1.703 -15.597 1.00 0.00 H new ATOM 1588 N HIS A 103 14.581 3.083 -13.641 1.00 0.00 N ATOM 1589 CA HIS A 103 15.979 3.482 -13.496 1.00 0.00 C ATOM 1590 C HIS A 103 16.724 3.335 -14.824 1.00 0.00 C ATOM 1591 O HIS A 103 17.928 3.589 -14.899 1.00 0.00 O ATOM 1592 CB HIS A 103 16.670 2.633 -12.416 1.00 0.00 C ATOM 1593 CG HIS A 103 16.030 1.271 -12.336 1.00 0.00 C ATOM 1594 ND1 HIS A 103 15.567 0.412 -13.304 1.00 0.00 N flip ATOM 1595 CD2 HIS A 103 15.798 0.635 -11.126 1.00 0.00 C flip ATOM 1596 CE1 HIS A 103 15.058 -0.737 -12.707 1.00 0.00 C flip ATOM 1597 NE2 HIS A 103 15.220 -0.552 -11.395 1.00 0.00 N flip ATOM 0 H HIS A 103 14.377 2.555 -14.489 1.00 0.00 H new ATOM 0 HA HIS A 103 16.002 4.529 -13.195 1.00 0.00 H new ATOM 0 HB2 HIS A 103 17.731 2.531 -12.646 1.00 0.00 H new ATOM 0 HB3 HIS A 103 16.600 3.133 -11.450 1.00 0.00 H new ATOM 0 HD2 HIS A 103 16.037 1.021 -10.146 1.00 0.00 H new ATOM 0 HE1 HIS A 103 14.625 -1.595 -13.200 1.00 0.00 H new ATOM 0 HE2 HIS A 103 14.940 -1.227 -10.683 1.00 0.00 H new ATOM 1605 N HIS A 104 15.997 2.924 -15.865 1.00 0.00 N ATOM 1606 CA HIS A 104 16.591 2.742 -17.192 1.00 0.00 C ATOM 1607 C HIS A 104 17.763 1.762 -17.132 1.00 0.00 C ATOM 1608 O HIS A 104 18.539 1.652 -18.082 1.00 0.00 O ATOM 1609 CB HIS A 104 17.073 4.088 -17.749 1.00 0.00 C ATOM 1610 CG HIS A 104 15.900 5.017 -17.929 1.00 0.00 C ATOM 1611 ND1 HIS A 104 16.015 6.390 -17.773 1.00 0.00 N ATOM 1612 CD2 HIS A 104 14.588 4.784 -18.255 1.00 0.00 C ATOM 1613 CE1 HIS A 104 14.802 6.926 -18.004 1.00 0.00 C ATOM 1614 NE2 HIS A 104 13.897 5.991 -18.301 1.00 0.00 N ATOM 0 H HIS A 104 15.001 2.712 -15.816 1.00 0.00 H new ATOM 0 HA HIS A 104 15.825 2.333 -17.852 1.00 0.00 H new ATOM 0 HB2 HIS A 104 17.800 4.533 -17.070 1.00 0.00 H new ATOM 0 HB3 HIS A 104 17.578 3.937 -18.703 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.863 6.900 -17.528 1.00 0.00 H new ATOM 0 HD2 HIS A 104 14.157 3.812 -18.447 1.00 0.00 H new ATOM 0 HE1 HIS A 104 14.587 7.983 -17.955 1.00 0.00 H new ATOM 1622 N HIS A 105 17.885 1.061 -16.004 1.00 0.00 N ATOM 1623 CA HIS A 105 18.963 0.091 -15.808 1.00 0.00 C ATOM 1624 C HIS A 105 20.312 0.798 -15.649 1.00 0.00 C ATOM 1625 O HIS A 105 21.275 0.203 -15.168 1.00 0.00 O ATOM 1626 CB HIS A 105 19.029 -0.886 -16.987 1.00 0.00 C ATOM 1627 CG HIS A 105 19.654 -2.179 -16.534 1.00 0.00 C ATOM 1628 ND1 HIS A 105 21.002 -2.282 -16.232 1.00 0.00 N ATOM 1629 CD2 HIS A 105 19.125 -3.428 -16.321 1.00 0.00 C ATOM 1630 CE1 HIS A 105 21.238 -3.553 -15.857 1.00 0.00 C ATOM 1631 NE2 HIS A 105 20.128 -4.293 -15.893 1.00 0.00 N ATOM 0 H HIS A 105 17.249 1.147 -15.211 1.00 0.00 H new ATOM 0 HA HIS A 105 18.749 -0.465 -14.895 1.00 0.00 H new ATOM 0 HB2 HIS A 105 18.028 -1.071 -17.376 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.612 -0.453 -17.800 1.00 0.00 H new ATOM 0 HD1 HIS A 105 21.691 -1.531 -16.284 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.089 -3.698 -16.464 1.00 0.00 H new ATOM 0 HE1 HIS A 105 22.207 -3.928 -15.563 1.00 0.00 H new ATOM 1639 N HIS A 106 20.373 2.068 -16.051 1.00 0.00 N ATOM 1640 CA HIS A 106 21.609 2.840 -15.945 1.00 0.00 C ATOM 1641 C HIS A 106 22.022 2.978 -14.480 1.00 0.00 C ATOM 1642 O HIS A 106 21.214 3.358 -13.633 1.00 0.00 O ATOM 1643 CB HIS A 106 21.409 4.232 -16.558 1.00 0.00 C ATOM 1644 CG HIS A 106 22.718 4.752 -17.095 1.00 0.00 C ATOM 1645 ND1 HIS A 106 22.776 5.663 -18.139 1.00 0.00 N ATOM 1646 CD2 HIS A 106 24.024 4.502 -16.745 1.00 0.00 C ATOM 1647 CE1 HIS A 106 24.074 5.927 -18.377 1.00 0.00 C ATOM 1648 NE2 HIS A 106 24.877 5.246 -17.557 1.00 0.00 N ATOM 0 H HIS A 106 19.586 2.580 -16.450 1.00 0.00 H new ATOM 0 HA HIS A 106 22.396 2.317 -16.487 1.00 0.00 H new ATOM 0 HB2 HIS A 106 20.672 4.183 -17.359 1.00 0.00 H new ATOM 0 HB3 HIS A 106 21.017 4.917 -15.806 1.00 0.00 H new ATOM 0 HD2 HIS A 106 24.340 3.831 -15.960 1.00 0.00 H new ATOM 0 HE1 HIS A 106 24.423 6.608 -19.139 1.00 0.00 H new ATOM 0 HE2 HIS A 106 25.896 5.266 -17.531 1.00 0.00 H new ATOM 1656 N HIS A 107 23.282 2.662 -14.191 1.00 0.00 N ATOM 1657 CA HIS A 107 23.791 2.748 -12.827 1.00 0.00 C ATOM 1658 C HIS A 107 25.315 2.857 -12.821 1.00 0.00 C ATOM 1659 O HIS A 107 26.020 1.854 -12.704 1.00 0.00 O ATOM 1660 CB HIS A 107 23.344 1.517 -12.021 1.00 0.00 C ATOM 1661 CG HIS A 107 23.742 0.250 -12.736 1.00 0.00 C ATOM 1662 ND1 HIS A 107 23.620 0.101 -14.109 1.00 0.00 N ATOM 1663 CD2 HIS A 107 24.253 -0.940 -12.278 1.00 0.00 C ATOM 1664 CE1 HIS A 107 24.046 -1.134 -14.425 1.00 0.00 C ATOM 1665 NE2 HIS A 107 24.445 -1.811 -13.345 1.00 0.00 N ATOM 0 H HIS A 107 23.965 2.346 -14.879 1.00 0.00 H new ATOM 0 HA HIS A 107 23.383 3.646 -12.363 1.00 0.00 H new ATOM 0 HB2 HIS A 107 23.795 1.540 -11.029 1.00 0.00 H new ATOM 0 HB3 HIS A 107 22.263 1.539 -11.880 1.00 0.00 H new ATOM 0 HD2 HIS A 107 24.473 -1.165 -11.245 1.00 0.00 H new ATOM 0 HE1 HIS A 107 24.064 -1.530 -15.429 1.00 0.00 H new ATOM 0 HE2 HIS A 107 24.812 -2.762 -13.310 1.00 0.00 H new ATOM 1673 N HIS A 108 25.812 4.089 -12.944 1.00 0.00 N ATOM 1674 CA HIS A 108 27.253 4.339 -12.949 1.00 0.00 C ATOM 1675 C HIS A 108 27.952 3.490 -14.018 1.00 0.00 C ATOM 1676 O HIS A 108 28.493 2.450 -13.673 1.00 0.00 O ATOM 1677 CB HIS A 108 27.837 4.034 -11.563 1.00 0.00 C ATOM 1678 CG HIS A 108 29.251 4.545 -11.481 1.00 0.00 C ATOM 1679 ND1 HIS A 108 29.808 5.356 -12.460 1.00 0.00 N ATOM 1680 CD2 HIS A 108 30.232 4.370 -10.537 1.00 0.00 C ATOM 1681 CE1 HIS A 108 31.070 5.635 -12.084 1.00 0.00 C ATOM 1682 NE2 HIS A 108 31.379 5.059 -10.920 1.00 0.00 N ATOM 1683 OXT HIS A 108 27.934 3.897 -15.168 1.00 0.00 O ATOM 0 H HIS A 108 25.239 4.927 -13.041 1.00 0.00 H new ATOM 0 HA HIS A 108 27.422 5.389 -13.187 1.00 0.00 H new ATOM 0 HB2 HIS A 108 27.226 4.501 -10.790 1.00 0.00 H new ATOM 0 HB3 HIS A 108 27.818 2.960 -11.379 1.00 0.00 H new ATOM 0 HD2 HIS A 108 30.129 3.786 -9.634 1.00 0.00 H new ATOM 0 HE1 HIS A 108 31.750 6.250 -12.655 1.00 0.00 H new ATOM 0 HE2 HIS A 108 32.266 5.112 -10.419 1.00 0.00 H new TER 1691 HIS A 108