USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1125 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 114 ASN : amide:sc= 0.665 K(o=0.67,f=-0.81) USER MOD Set 1.2: A 117 MET CE :methyl -154:sc= 0 (180deg=-0.192) USER MOD Set 2.1: A 64 GLN : amide:sc= 0.961 K(o=2.1,f=0.78) USER MOD Set 2.2: A 69 HIS : no HD1:sc= 1.18 K(o=2.1,f=-8.8!) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.1 K(o=2.2,f=-0.15) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.12 K(o=2.2,f=1.1) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl -117:sc=-0.00444 (180deg=-0.272) USER MOD Single : A 9 THR OG1 : rot 152:sc= 1.23 USER MOD Single : A 11 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0.965 (180deg=0.962) USER MOD Single : A 16 MET CE :methyl -159:sc= -0.329 (180deg=-1.22) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.712 K(o=0.71,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0801 X(o=-0.08,f=-0.0072) USER MOD Single : A 30 MET CE :methyl 170:sc= -0.0021 (180deg=-0.0726) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00537) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0202 K(o=0.02,f=-0.88) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 0.0734 (180deg=0.046) USER MOD Single : A 66 MET CE :methyl 165:sc= -0.012 (180deg=-0.307) USER MOD Single : A 67 ASN : amide:sc= 0.709 K(o=0.71,f=-1.1) USER MOD Single : A 70 HIS : no HD1:sc= 0.337 K(o=1.9,f=-7.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 164:sc= -0.0149 (180deg=-0.329) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.173 K(o=0.17,f=-5.7!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.246 X(o=-0.25,f=0.0014) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 1.04 (180deg=0.837) USER MOD Single : A 95 HIS : no HE2:sc= 0.377 K(o=2.1,f=-7.6!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00135) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.97 K(o=-2,f=-0.0032) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.236 USER MOD Single : A 112 MET CE :methyl 170:sc= 0 (180deg=-0.222) USER MOD Single : A 120 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.089) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -167:sc= 0.917 (180deg=0.807) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.537 -10.668 -0.554 1.00 2.00 N ATOM 2 CA SER A 1 9.047 -10.703 -0.705 1.00 34.22 C ATOM 3 C SER A 1 9.815 -9.735 0.178 1.00 22.02 C ATOM 4 O SER A 1 10.859 -10.075 0.726 1.00 22.33 O ATOM 5 CB SER A 1 9.467 -10.432 -2.184 1.00 51.23 C ATOM 6 OG SER A 1 9.043 -11.480 -3.059 1.00 1.23 O ATOM 0 H1 SER A 1 7.108 -11.363 -1.197 1.00 2.00 H new ATOM 0 H2 SER A 1 7.281 -10.900 0.427 1.00 2.00 H new ATOM 0 H3 SER A 1 7.187 -9.717 -0.788 1.00 2.00 H new ATOM 0 HA SER A 1 9.313 -11.710 -0.383 1.00 34.22 H new ATOM 0 HB2 SER A 1 9.038 -9.486 -2.516 1.00 51.23 H new ATOM 0 HB3 SER A 1 10.551 -10.328 -2.240 1.00 51.23 H new ATOM 0 HG SER A 1 9.322 -11.274 -3.975 1.00 1.23 H new ATOM 14 N LYS A 2 9.332 -8.483 0.337 1.00 13.03 N ATOM 15 CA LYS A 2 9.988 -7.442 1.105 1.00 45.45 C ATOM 16 C LYS A 2 10.016 -7.727 2.596 1.00 44.12 C ATOM 17 O LYS A 2 11.010 -7.468 3.271 1.00 51.34 O ATOM 18 CB LYS A 2 9.362 -6.046 0.820 1.00 33.00 C ATOM 19 CG LYS A 2 7.895 -5.852 1.243 1.00 64.25 C ATOM 20 CD LYS A 2 7.361 -4.447 0.918 1.00 10.43 C ATOM 21 CE LYS A 2 5.921 -4.247 1.392 1.00 62.31 C ATOM 22 NZ LYS A 2 5.484 -2.870 1.094 1.00 50.50 N ATOM 0 H LYS A 2 8.453 -8.177 -0.081 1.00 13.03 H new ATOM 0 HA LYS A 2 11.025 -7.432 0.771 1.00 45.45 H new ATOM 0 HB2 LYS A 2 9.965 -5.292 1.325 1.00 33.00 H new ATOM 0 HB3 LYS A 2 9.437 -5.850 -0.250 1.00 33.00 H new ATOM 0 HG2 LYS A 2 7.276 -6.596 0.742 1.00 64.25 H new ATOM 0 HG3 LYS A 2 7.804 -6.031 2.314 1.00 64.25 H new ATOM 0 HD2 LYS A 2 8.002 -3.700 1.387 1.00 10.43 H new ATOM 0 HD3 LYS A 2 7.413 -4.281 -0.158 1.00 10.43 H new ATOM 0 HE2 LYS A 2 5.263 -4.962 0.898 1.00 62.31 H new ATOM 0 HE3 LYS A 2 5.851 -4.437 2.463 1.00 62.31 H new ATOM 0 HZ1 LYS A 2 4.505 -2.739 1.418 1.00 50.50 H new ATOM 0 HZ2 LYS A 2 6.104 -2.195 1.585 1.00 50.50 H new ATOM 0 HZ3 LYS A 2 5.535 -2.704 0.069 1.00 50.50 H new ATOM 36 N GLU A 3 8.934 -8.335 3.151 1.00 70.10 N ATOM 37 CA GLU A 3 8.799 -8.581 4.579 1.00 60.43 C ATOM 38 C GLU A 3 9.496 -9.830 5.038 1.00 62.42 C ATOM 39 O GLU A 3 9.503 -10.181 6.215 1.00 3.02 O ATOM 40 CB GLU A 3 7.318 -8.626 5.050 1.00 1.30 C ATOM 41 CG GLU A 3 6.553 -7.292 4.865 1.00 31.51 C ATOM 42 CD GLU A 3 5.141 -7.369 5.449 1.00 3.41 C ATOM 43 OE1 GLU A 3 4.385 -8.284 5.029 1.00 41.44 O ATOM 44 OE2 GLU A 3 4.823 -6.520 6.321 1.00 51.44 O ATOM 0 H GLU A 3 8.138 -8.663 2.603 1.00 70.10 H new ATOM 0 HA GLU A 3 9.290 -7.724 5.041 1.00 60.43 H new ATOM 0 HB2 GLU A 3 6.797 -9.410 4.500 1.00 1.30 H new ATOM 0 HB3 GLU A 3 7.292 -8.904 6.104 1.00 1.30 H new ATOM 0 HG2 GLU A 3 7.104 -6.485 5.348 1.00 31.51 H new ATOM 0 HG3 GLU A 3 6.496 -7.048 3.804 1.00 31.51 H new ATOM 51 N VAL A 4 10.123 -10.502 4.073 1.00 24.55 N ATOM 52 CA VAL A 4 11.088 -11.577 4.306 1.00 74.00 C ATOM 53 C VAL A 4 12.361 -11.015 4.905 1.00 31.00 C ATOM 54 O VAL A 4 12.959 -11.584 5.814 1.00 51.40 O ATOM 55 CB VAL A 4 11.511 -12.321 3.041 1.00 4.00 C ATOM 56 CG1 VAL A 4 12.589 -13.400 3.311 1.00 61.41 C ATOM 57 CG2 VAL A 4 10.307 -12.962 2.349 1.00 41.43 C ATOM 0 H VAL A 4 9.970 -10.309 3.083 1.00 24.55 H new ATOM 0 HA VAL A 4 10.574 -12.271 4.971 1.00 74.00 H new ATOM 0 HB VAL A 4 11.951 -11.570 2.384 1.00 4.00 H new ATOM 0 HG11 VAL A 4 12.850 -13.895 2.376 1.00 61.41 H new ATOM 0 HG12 VAL A 4 13.477 -12.929 3.733 1.00 61.41 H new ATOM 0 HG13 VAL A 4 12.199 -14.136 4.015 1.00 61.41 H new ATOM 0 HG21 VAL A 4 10.639 -13.485 1.452 1.00 41.43 H new ATOM 0 HG22 VAL A 4 9.832 -13.671 3.027 1.00 41.43 H new ATOM 0 HG23 VAL A 4 9.591 -12.188 2.074 1.00 41.43 H new ATOM 67 N MET A 5 12.830 -9.902 4.295 1.00 41.32 N ATOM 68 CA MET A 5 14.227 -9.562 4.207 1.00 32.15 C ATOM 69 C MET A 5 14.875 -9.185 5.530 1.00 74.21 C ATOM 70 O MET A 5 16.023 -9.531 5.800 1.00 61.53 O ATOM 71 CB MET A 5 14.438 -8.411 3.190 1.00 15.32 C ATOM 72 CG MET A 5 14.115 -8.824 1.740 1.00 3.45 C ATOM 73 SD MET A 5 14.325 -7.480 0.535 1.00 64.24 S ATOM 74 CE MET A 5 13.837 -8.497 -0.887 1.00 3.03 C ATOM 0 H MET A 5 12.219 -9.218 3.849 1.00 41.32 H new ATOM 0 HA MET A 5 14.720 -10.475 3.874 1.00 32.15 H new ATOM 0 HB2 MET A 5 13.809 -7.566 3.470 1.00 15.32 H new ATOM 0 HB3 MET A 5 15.472 -8.071 3.244 1.00 15.32 H new ATOM 0 HG2 MET A 5 14.758 -9.658 1.457 1.00 3.45 H new ATOM 0 HG3 MET A 5 13.087 -9.184 1.694 1.00 3.45 H new ATOM 0 HE1 MET A 5 13.879 -7.896 -1.795 1.00 3.03 H new ATOM 0 HE2 MET A 5 14.518 -9.343 -0.980 1.00 3.03 H new ATOM 0 HE3 MET A 5 12.821 -8.863 -0.741 1.00 3.03 H new ATOM 84 N LYS A 6 14.148 -8.407 6.362 1.00 3.43 N ATOM 85 CA LYS A 6 14.657 -7.842 7.594 1.00 75.22 C ATOM 86 C LYS A 6 14.610 -8.853 8.737 1.00 2.15 C ATOM 87 O LYS A 6 13.819 -9.792 8.746 1.00 60.45 O ATOM 88 CB LYS A 6 13.895 -6.553 7.996 1.00 11.31 C ATOM 89 CG LYS A 6 14.511 -5.776 9.179 1.00 31.10 C ATOM 90 CD LYS A 6 13.687 -4.547 9.560 1.00 61.35 C ATOM 91 CE LYS A 6 14.236 -3.740 10.738 1.00 30.51 C ATOM 92 NZ LYS A 6 15.485 -3.051 10.357 1.00 14.31 N ATOM 0 H LYS A 6 13.176 -8.160 6.177 1.00 3.43 H new ATOM 0 HA LYS A 6 15.698 -7.579 7.407 1.00 75.22 H new ATOM 0 HB2 LYS A 6 13.848 -5.892 7.131 1.00 11.31 H new ATOM 0 HB3 LYS A 6 12.869 -6.819 8.250 1.00 11.31 H new ATOM 0 HG2 LYS A 6 14.592 -6.437 10.042 1.00 31.10 H new ATOM 0 HG3 LYS A 6 15.523 -5.465 8.919 1.00 31.10 H new ATOM 0 HD2 LYS A 6 13.617 -3.892 8.692 1.00 61.35 H new ATOM 0 HD3 LYS A 6 12.673 -4.868 9.800 1.00 61.35 H new ATOM 0 HE2 LYS A 6 13.495 -3.009 11.062 1.00 30.51 H new ATOM 0 HE3 LYS A 6 14.422 -4.402 11.584 1.00 30.51 H new ATOM 0 HZ1 LYS A 6 15.843 -2.508 11.168 1.00 14.31 H new ATOM 0 HZ2 LYS A 6 16.195 -3.754 10.070 1.00 14.31 H new ATOM 0 HZ3 LYS A 6 15.297 -2.405 9.564 1.00 14.31 H new ATOM 106 N GLN A 7 15.505 -8.676 9.735 1.00 35.03 N ATOM 107 CA GLN A 7 15.673 -9.559 10.881 1.00 41.12 C ATOM 108 C GLN A 7 14.442 -9.609 11.777 1.00 52.45 C ATOM 109 O GLN A 7 14.039 -10.673 12.240 1.00 30.12 O ATOM 110 CB GLN A 7 16.904 -9.144 11.731 1.00 11.11 C ATOM 111 CG GLN A 7 18.245 -9.354 10.988 1.00 22.24 C ATOM 112 CD GLN A 7 19.446 -8.966 11.856 1.00 60.34 C ATOM 113 OE1 GLN A 7 20.209 -9.824 12.303 1.00 2.41 O ATOM 114 NE2 GLN A 7 19.628 -7.640 12.094 1.00 60.53 N ATOM 0 H GLN A 7 16.146 -7.883 9.753 1.00 35.03 H new ATOM 0 HA GLN A 7 15.828 -10.556 10.468 1.00 41.12 H new ATOM 0 HB2 GLN A 7 16.809 -8.095 12.011 1.00 11.11 H new ATOM 0 HB3 GLN A 7 16.912 -9.721 12.656 1.00 11.11 H new ATOM 0 HG2 GLN A 7 18.335 -10.399 10.690 1.00 22.24 H new ATOM 0 HG3 GLN A 7 18.251 -8.760 10.074 1.00 22.24 H new ATOM 0 HE21 GLN A 7 18.975 -6.958 11.707 1.00 60.53 H new ATOM 0 HE22 GLN A 7 20.417 -7.327 12.659 1.00 60.53 H new ATOM 123 N MET A 8 13.807 -8.443 12.027 1.00 11.53 N ATOM 124 CA MET A 8 12.528 -8.356 12.697 1.00 32.11 C ATOM 125 C MET A 8 11.462 -8.175 11.634 1.00 13.30 C ATOM 126 O MET A 8 11.568 -7.303 10.772 1.00 14.11 O ATOM 127 CB MET A 8 12.482 -7.160 13.683 1.00 32.21 C ATOM 128 CG MET A 8 11.160 -7.028 14.472 1.00 61.45 C ATOM 129 SD MET A 8 11.113 -5.620 15.624 1.00 71.52 S ATOM 130 CE MET A 8 10.928 -4.320 14.367 1.00 74.34 C ATOM 0 H MET A 8 14.188 -7.536 11.759 1.00 11.53 H new ATOM 0 HA MET A 8 12.362 -9.265 13.275 1.00 32.11 H new ATOM 0 HB2 MET A 8 13.305 -7.258 14.391 1.00 32.21 H new ATOM 0 HB3 MET A 8 12.650 -6.239 13.125 1.00 32.21 H new ATOM 0 HG2 MET A 8 10.336 -6.931 13.765 1.00 61.45 H new ATOM 0 HG3 MET A 8 10.992 -7.947 15.033 1.00 61.45 H new ATOM 0 HE1 MET A 8 11.795 -3.660 14.396 1.00 74.34 H new ATOM 0 HE2 MET A 8 10.852 -4.776 13.380 1.00 74.34 H new ATOM 0 HE3 MET A 8 10.026 -3.743 14.571 1.00 74.34 H new ATOM 140 N THR A 9 10.394 -8.996 11.675 1.00 51.02 N ATOM 141 CA THR A 9 9.262 -8.862 10.778 1.00 44.53 C ATOM 142 C THR A 9 8.048 -9.188 11.614 1.00 34.14 C ATOM 143 O THR A 9 8.170 -9.846 12.648 1.00 24.22 O ATOM 144 CB THR A 9 9.374 -9.732 9.527 1.00 52.12 C ATOM 145 OG1 THR A 9 8.343 -9.436 8.594 1.00 53.10 O ATOM 146 CG2 THR A 9 9.336 -11.239 9.845 1.00 63.22 C ATOM 0 H THR A 9 10.306 -9.767 12.337 1.00 51.02 H new ATOM 0 HA THR A 9 9.205 -7.852 10.371 1.00 44.53 H new ATOM 0 HB THR A 9 10.345 -9.495 9.092 1.00 52.12 H new ATOM 0 HG1 THR A 9 8.657 -9.632 7.687 1.00 53.10 H new ATOM 0 HG21 THR A 9 9.419 -11.808 8.919 1.00 63.22 H new ATOM 0 HG22 THR A 9 10.167 -11.493 10.503 1.00 63.22 H new ATOM 0 HG23 THR A 9 8.395 -11.483 10.338 1.00 63.22 H new ATOM 154 N ILE A 10 6.857 -8.672 11.236 1.00 21.44 N ATOM 155 CA ILE A 10 5.688 -8.694 12.100 1.00 30.32 C ATOM 156 C ILE A 10 4.608 -9.545 11.452 1.00 42.33 C ATOM 157 O ILE A 10 4.092 -9.222 10.384 1.00 52.10 O ATOM 158 CB ILE A 10 5.173 -7.280 12.381 1.00 22.44 C ATOM 159 CG1 ILE A 10 6.248 -6.370 13.039 1.00 3.02 C ATOM 160 CG2 ILE A 10 3.898 -7.316 13.251 1.00 12.11 C ATOM 161 CD1 ILE A 10 6.776 -6.851 14.398 1.00 12.44 C ATOM 0 H ILE A 10 6.695 -8.235 10.329 1.00 21.44 H new ATOM 0 HA ILE A 10 5.966 -9.129 13.060 1.00 30.32 H new ATOM 0 HB ILE A 10 4.929 -6.844 11.412 1.00 22.44 H new ATOM 0 HG12 ILE A 10 7.090 -6.277 12.353 1.00 3.02 H new ATOM 0 HG13 ILE A 10 5.828 -5.372 13.164 1.00 3.02 H new ATOM 0 HG21 ILE A 10 3.554 -6.298 13.435 1.00 12.11 H new ATOM 0 HG22 ILE A 10 3.119 -7.874 12.732 1.00 12.11 H new ATOM 0 HG23 ILE A 10 4.120 -7.801 14.201 1.00 12.11 H new ATOM 0 HD11 ILE A 10 7.520 -6.146 14.769 1.00 12.44 H new ATOM 0 HD12 ILE A 10 5.951 -6.915 15.107 1.00 12.44 H new ATOM 0 HD13 ILE A 10 7.233 -7.834 14.284 1.00 12.44 H new ATOM 173 N ASN A 11 4.212 -10.657 12.119 1.00 52.41 N ATOM 174 CA ASN A 11 3.215 -11.608 11.638 1.00 64.51 C ATOM 175 C ASN A 11 1.818 -11.011 11.516 1.00 61.02 C ATOM 176 O ASN A 11 1.087 -11.284 10.567 1.00 32.30 O ATOM 177 CB ASN A 11 3.139 -12.858 12.559 1.00 4.21 C ATOM 178 CG ASN A 11 4.396 -13.720 12.406 1.00 52.04 C ATOM 179 OD1 ASN A 11 5.138 -13.626 11.429 1.00 42.12 O ATOM 180 ND2 ASN A 11 4.639 -14.606 13.408 1.00 52.21 N ATOM 0 H ASN A 11 4.596 -10.912 13.029 1.00 52.41 H new ATOM 0 HA ASN A 11 3.550 -11.892 10.640 1.00 64.51 H new ATOM 0 HB2 ASN A 11 3.031 -12.545 13.597 1.00 4.21 H new ATOM 0 HB3 ASN A 11 2.256 -13.446 12.310 1.00 4.21 H new ATOM 0 HD21 ASN A 11 5.455 -15.216 13.362 1.00 52.21 H new ATOM 0 HD22 ASN A 11 4.005 -14.661 14.205 1.00 52.21 H new ATOM 187 N PHE A 12 1.407 -10.169 12.488 1.00 60.52 N ATOM 188 CA PHE A 12 0.081 -9.582 12.555 1.00 14.41 C ATOM 189 C PHE A 12 -0.097 -8.341 11.685 1.00 53.21 C ATOM 190 O PHE A 12 -1.156 -7.717 11.685 1.00 33.23 O ATOM 191 CB PHE A 12 -0.332 -9.297 14.034 1.00 43.30 C ATOM 192 CG PHE A 12 0.618 -8.406 14.801 1.00 5.41 C ATOM 193 CD1 PHE A 12 0.520 -7.008 14.708 1.00 11.45 C ATOM 194 CD2 PHE A 12 1.551 -8.960 15.695 1.00 74.13 C ATOM 195 CE1 PHE A 12 1.343 -6.177 15.479 1.00 4.24 C ATOM 196 CE2 PHE A 12 2.375 -8.135 16.472 1.00 42.44 C ATOM 197 CZ PHE A 12 2.272 -6.742 16.362 1.00 22.41 C ATOM 0 H PHE A 12 2.012 -9.882 13.257 1.00 60.52 H new ATOM 0 HA PHE A 12 -0.592 -10.330 12.137 1.00 14.41 H new ATOM 0 HB2 PHE A 12 -1.320 -8.837 14.038 1.00 43.30 H new ATOM 0 HB3 PHE A 12 -0.420 -10.247 14.561 1.00 43.30 H new ATOM 0 HD1 PHE A 12 -0.199 -6.568 14.033 1.00 11.45 H new ATOM 0 HD2 PHE A 12 1.633 -10.033 15.784 1.00 74.13 H new ATOM 0 HE1 PHE A 12 1.261 -5.104 15.393 1.00 4.24 H new ATOM 0 HE2 PHE A 12 3.089 -8.572 17.155 1.00 42.44 H new ATOM 0 HZ PHE A 12 2.908 -6.104 16.958 1.00 22.41 H new ATOM 207 N ALA A 13 0.940 -7.946 10.915 1.00 12.21 N ATOM 208 CA ALA A 13 0.905 -6.802 10.029 1.00 44.35 C ATOM 209 C ALA A 13 0.076 -6.962 8.771 1.00 23.52 C ATOM 210 O ALA A 13 -0.404 -5.965 8.234 1.00 53.22 O ATOM 211 CB ALA A 13 2.326 -6.417 9.613 1.00 35.10 C ATOM 0 H ALA A 13 1.835 -8.435 10.905 1.00 12.21 H new ATOM 0 HA ALA A 13 0.417 -6.026 10.619 1.00 44.35 H new ATOM 0 HB1 ALA A 13 2.289 -5.555 8.946 1.00 35.10 H new ATOM 0 HB2 ALA A 13 2.909 -6.166 10.499 1.00 35.10 H new ATOM 0 HB3 ALA A 13 2.794 -7.255 9.097 1.00 35.10 H new ATOM 217 N LYS A 14 -0.134 -8.199 8.262 1.00 53.24 N ATOM 218 CA LYS A 14 -0.849 -8.432 7.018 1.00 14.23 C ATOM 219 C LYS A 14 -2.292 -7.924 7.021 1.00 14.32 C ATOM 220 O LYS A 14 -2.633 -7.231 6.061 1.00 33.34 O ATOM 221 CB LYS A 14 -0.849 -9.936 6.606 1.00 15.10 C ATOM 222 CG LYS A 14 0.470 -10.481 6.016 1.00 54.50 C ATOM 223 CD LYS A 14 1.675 -10.548 6.972 1.00 22.42 C ATOM 224 CE LYS A 14 2.825 -11.425 6.462 1.00 14.32 C ATOM 225 NZ LYS A 14 3.304 -10.946 5.150 1.00 4.33 N ATOM 0 H LYS A 14 0.194 -9.053 8.714 1.00 53.24 H new ATOM 0 HA LYS A 14 -0.292 -7.849 6.285 1.00 14.23 H new ATOM 0 HB2 LYS A 14 -1.104 -10.531 7.483 1.00 15.10 H new ATOM 0 HB3 LYS A 14 -1.642 -10.091 5.874 1.00 15.10 H new ATOM 0 HG2 LYS A 14 0.283 -11.484 5.632 1.00 54.50 H new ATOM 0 HG3 LYS A 14 0.745 -9.859 5.164 1.00 54.50 H new ATOM 0 HD2 LYS A 14 2.049 -9.538 7.141 1.00 22.42 H new ATOM 0 HD3 LYS A 14 1.340 -10.930 7.937 1.00 22.42 H new ATOM 0 HE2 LYS A 14 3.645 -11.413 7.181 1.00 14.32 H new ATOM 0 HE3 LYS A 14 2.491 -12.459 6.377 1.00 14.32 H new ATOM 0 HZ1 LYS A 14 4.104 -11.532 4.838 1.00 4.33 H new ATOM 0 HZ2 LYS A 14 2.534 -11.012 4.454 1.00 4.33 H new ATOM 0 HZ3 LYS A 14 3.611 -9.956 5.233 1.00 4.33 H new ATOM 239 N PRO A 15 -3.178 -8.131 8.007 1.00 24.13 N ATOM 240 CA PRO A 15 -4.452 -7.424 8.059 1.00 33.21 C ATOM 241 C PRO A 15 -4.323 -5.945 8.343 1.00 52.23 C ATOM 242 O PRO A 15 -5.228 -5.187 7.999 1.00 3.45 O ATOM 243 CB PRO A 15 -5.220 -8.126 9.182 1.00 11.55 C ATOM 244 CG PRO A 15 -4.161 -8.732 10.102 1.00 0.32 C ATOM 245 CD PRO A 15 -2.994 -9.023 9.158 1.00 24.10 C ATOM 0 HA PRO A 15 -4.952 -7.462 7.091 1.00 33.21 H new ATOM 0 HB2 PRO A 15 -5.850 -7.421 9.724 1.00 11.55 H new ATOM 0 HB3 PRO A 15 -5.877 -8.898 8.782 1.00 11.55 H new ATOM 0 HG2 PRO A 15 -3.874 -8.040 10.894 1.00 0.32 H new ATOM 0 HG3 PRO A 15 -4.522 -9.639 10.586 1.00 0.32 H new ATOM 0 HD2 PRO A 15 -2.039 -8.836 9.648 1.00 24.10 H new ATOM 0 HD3 PRO A 15 -2.994 -10.068 8.847 1.00 24.10 H new ATOM 253 N MET A 16 -3.239 -5.504 9.006 1.00 45.43 N ATOM 254 CA MET A 16 -3.129 -4.153 9.496 1.00 33.23 C ATOM 255 C MET A 16 -2.730 -3.193 8.382 1.00 33.44 C ATOM 256 O MET A 16 -3.286 -2.102 8.249 1.00 3.42 O ATOM 257 CB MET A 16 -2.150 -4.186 10.683 1.00 73.42 C ATOM 258 CG MET A 16 -2.100 -2.904 11.521 1.00 3.33 C ATOM 259 SD MET A 16 -1.061 -3.078 13.004 1.00 63.42 S ATOM 260 CE MET A 16 -2.030 -4.356 13.864 1.00 41.35 C ATOM 0 H MET A 16 -2.426 -6.086 9.208 1.00 45.43 H new ATOM 0 HA MET A 16 -4.088 -3.769 9.846 1.00 33.23 H new ATOM 0 HB2 MET A 16 -2.421 -5.017 11.334 1.00 73.42 H new ATOM 0 HB3 MET A 16 -1.149 -4.392 10.303 1.00 73.42 H new ATOM 0 HG2 MET A 16 -1.718 -2.088 10.908 1.00 3.33 H new ATOM 0 HG3 MET A 16 -3.112 -2.630 11.821 1.00 3.33 H new ATOM 0 HE1 MET A 16 -1.790 -4.341 14.927 1.00 41.35 H new ATOM 0 HE2 MET A 16 -3.093 -4.158 13.730 1.00 41.35 H new ATOM 0 HE3 MET A 16 -1.788 -5.335 13.451 1.00 41.35 H new ATOM 270 N GLU A 17 -1.776 -3.610 7.507 1.00 25.21 N ATOM 271 CA GLU A 17 -1.395 -2.883 6.307 1.00 62.04 C ATOM 272 C GLU A 17 -2.500 -2.920 5.269 1.00 62.31 C ATOM 273 O GLU A 17 -2.710 -1.972 4.512 1.00 73.13 O ATOM 274 CB GLU A 17 -0.075 -3.420 5.674 1.00 73.44 C ATOM 275 CG GLU A 17 -0.128 -4.844 5.060 1.00 12.04 C ATOM 276 CD GLU A 17 1.226 -5.302 4.515 1.00 34.40 C ATOM 277 OE1 GLU A 17 1.698 -6.379 4.959 1.00 5.01 O ATOM 278 OE2 GLU A 17 1.779 -4.591 3.635 1.00 31.23 O ATOM 0 H GLU A 17 -1.253 -4.476 7.635 1.00 25.21 H new ATOM 0 HA GLU A 17 -1.224 -1.853 6.621 1.00 62.04 H new ATOM 0 HB2 GLU A 17 0.237 -2.724 4.895 1.00 73.44 H new ATOM 0 HB3 GLU A 17 0.700 -3.408 6.441 1.00 73.44 H new ATOM 0 HG2 GLU A 17 -0.468 -5.550 5.818 1.00 12.04 H new ATOM 0 HG3 GLU A 17 -0.864 -4.861 4.256 1.00 12.04 H new ATOM 285 N ALA A 18 -3.256 -4.043 5.229 1.00 65.35 N ATOM 286 CA ALA A 18 -4.429 -4.210 4.408 1.00 13.54 C ATOM 287 C ALA A 18 -5.529 -3.267 4.795 1.00 63.12 C ATOM 288 O ALA A 18 -6.140 -2.671 3.916 1.00 73.31 O ATOM 289 CB ALA A 18 -5.009 -5.624 4.465 1.00 41.53 C ATOM 0 H ALA A 18 -3.042 -4.867 5.791 1.00 65.35 H new ATOM 0 HA ALA A 18 -4.080 -4.000 3.397 1.00 13.54 H new ATOM 0 HB1 ALA A 18 -5.890 -5.682 3.825 1.00 41.53 H new ATOM 0 HB2 ALA A 18 -4.262 -6.338 4.119 1.00 41.53 H new ATOM 0 HB3 ALA A 18 -5.290 -5.861 5.491 1.00 41.53 H new ATOM 295 N CYS A 19 -5.787 -3.061 6.111 1.00 51.02 N ATOM 296 CA CYS A 19 -6.822 -2.148 6.560 1.00 42.01 C ATOM 297 C CYS A 19 -6.496 -0.753 6.044 1.00 23.11 C ATOM 298 O CYS A 19 -7.328 -0.133 5.400 1.00 24.05 O ATOM 299 CB CYS A 19 -6.936 -2.097 8.102 1.00 50.24 C ATOM 300 SG CYS A 19 -8.466 -1.365 8.538 1.00 0.43 S ATOM 0 H CYS A 19 -5.282 -3.524 6.866 1.00 51.02 H new ATOM 0 HA CYS A 19 -7.775 -2.505 6.171 1.00 42.01 H new ATOM 0 HB2 CYS A 19 -6.868 -3.102 8.518 1.00 50.24 H new ATOM 0 HB3 CYS A 19 -6.111 -1.522 8.522 1.00 50.24 H new ATOM 305 N LYS A 20 -5.239 -0.271 6.167 1.00 63.33 N ATOM 306 CA LYS A 20 -4.906 1.115 5.859 1.00 73.15 C ATOM 307 C LYS A 20 -5.222 1.485 4.409 1.00 73.50 C ATOM 308 O LYS A 20 -5.806 2.533 4.125 1.00 4.53 O ATOM 309 CB LYS A 20 -3.410 1.362 6.202 1.00 64.32 C ATOM 310 CG LYS A 20 -2.908 2.814 6.059 1.00 1.44 C ATOM 311 CD LYS A 20 -2.364 3.227 4.679 1.00 45.14 C ATOM 312 CE LYS A 20 -0.953 2.711 4.396 1.00 10.24 C ATOM 313 NZ LYS A 20 -0.539 3.111 3.037 1.00 42.33 N ATOM 0 H LYS A 20 -4.446 -0.832 6.479 1.00 63.33 H new ATOM 0 HA LYS A 20 -5.531 1.766 6.471 1.00 73.15 H new ATOM 0 HB2 LYS A 20 -3.236 1.039 7.229 1.00 64.32 H new ATOM 0 HB3 LYS A 20 -2.802 0.725 5.560 1.00 64.32 H new ATOM 0 HG2 LYS A 20 -3.729 3.484 6.315 1.00 1.44 H new ATOM 0 HG3 LYS A 20 -2.122 2.976 6.797 1.00 1.44 H new ATOM 0 HD2 LYS A 20 -3.038 2.857 3.907 1.00 45.14 H new ATOM 0 HD3 LYS A 20 -2.365 4.315 4.609 1.00 45.14 H new ATOM 0 HE2 LYS A 20 -0.255 3.111 5.131 1.00 10.24 H new ATOM 0 HE3 LYS A 20 -0.927 1.625 4.489 1.00 10.24 H new ATOM 0 HZ1 LYS A 20 0.421 2.758 2.849 1.00 42.33 H new ATOM 0 HZ2 LYS A 20 -1.199 2.709 2.341 1.00 42.33 H new ATOM 0 HZ3 LYS A 20 -0.547 4.148 2.963 1.00 42.33 H new ATOM 327 N GLN A 21 -4.895 0.591 3.451 1.00 23.42 N ATOM 328 CA GLN A 21 -5.233 0.794 2.053 1.00 24.41 C ATOM 329 C GLN A 21 -6.687 0.520 1.714 1.00 3.22 C ATOM 330 O GLN A 21 -7.296 1.252 0.938 1.00 12.21 O ATOM 331 CB GLN A 21 -4.346 -0.061 1.138 1.00 63.55 C ATOM 332 CG GLN A 21 -4.541 -1.574 1.320 1.00 53.33 C ATOM 333 CD GLN A 21 -3.383 -2.394 0.782 1.00 70.32 C ATOM 334 OE1 GLN A 21 -3.284 -2.739 -0.396 1.00 0.32 O ATOM 335 NE2 GLN A 21 -2.504 -2.789 1.739 1.00 75.24 N ATOM 0 H GLN A 21 -4.395 -0.278 3.637 1.00 23.42 H new ATOM 0 HA GLN A 21 -5.055 1.855 1.880 1.00 24.41 H new ATOM 0 HB2 GLN A 21 -4.553 0.200 0.100 1.00 63.55 H new ATOM 0 HB3 GLN A 21 -3.301 0.186 1.327 1.00 63.55 H new ATOM 0 HG2 GLN A 21 -4.671 -1.792 2.380 1.00 53.33 H new ATOM 0 HG3 GLN A 21 -5.459 -1.879 0.817 1.00 53.33 H new ATOM 0 HE21 GLN A 21 -2.626 -2.478 2.703 1.00 75.24 H new ATOM 0 HE22 GLN A 21 -1.722 -3.397 1.494 1.00 75.24 H new ATOM 344 N GLU A 22 -7.283 -0.524 2.340 1.00 62.21 N ATOM 345 CA GLU A 22 -8.676 -0.950 2.196 1.00 4.22 C ATOM 346 C GLU A 22 -9.613 0.152 2.578 1.00 15.42 C ATOM 347 O GLU A 22 -10.648 0.372 1.954 1.00 14.32 O ATOM 348 CB GLU A 22 -8.984 -2.197 3.040 1.00 23.40 C ATOM 349 CG GLU A 22 -10.401 -2.780 2.822 1.00 21.33 C ATOM 350 CD GLU A 22 -10.658 -3.288 1.400 1.00 64.23 C ATOM 351 OE1 GLU A 22 -9.850 -4.128 0.924 1.00 12.54 O ATOM 352 OE2 GLU A 22 -11.676 -2.864 0.796 1.00 40.10 O ATOM 0 H GLU A 22 -6.768 -1.116 2.991 1.00 62.21 H new ATOM 0 HA GLU A 22 -8.821 -1.202 1.145 1.00 4.22 H new ATOM 0 HB2 GLU A 22 -8.248 -2.967 2.811 1.00 23.40 H new ATOM 0 HB3 GLU A 22 -8.865 -1.946 4.094 1.00 23.40 H new ATOM 0 HG2 GLU A 22 -10.556 -3.600 3.523 1.00 21.33 H new ATOM 0 HG3 GLU A 22 -11.138 -2.013 3.061 1.00 21.33 H new ATOM 359 N LEU A 23 -9.240 0.882 3.637 1.00 52.20 N ATOM 360 CA LEU A 23 -10.087 1.933 4.164 1.00 62.11 C ATOM 361 C LEU A 23 -9.845 3.224 3.400 1.00 41.14 C ATOM 362 O LEU A 23 -10.602 4.181 3.544 1.00 34.43 O ATOM 363 CB LEU A 23 -9.811 2.218 5.652 1.00 2.42 C ATOM 364 CG LEU A 23 -9.958 1.005 6.592 1.00 23.10 C ATOM 365 CD1 LEU A 23 -10.048 1.329 8.086 1.00 2.52 C ATOM 366 CD2 LEU A 23 -10.721 -0.252 6.151 1.00 11.35 C ATOM 0 H LEU A 23 -8.359 0.757 4.136 1.00 52.20 H new ATOM 0 HA LEU A 23 -11.115 1.588 4.053 1.00 62.11 H new ATOM 0 HB2 LEU A 23 -8.799 2.611 5.748 1.00 2.42 H new ATOM 0 HB3 LEU A 23 -10.491 3.001 5.987 1.00 2.42 H new ATOM 0 HG LEU A 23 -8.955 0.614 6.421 1.00 23.10 H new ATOM 0 HD11 LEU A 23 -10.149 0.404 8.653 1.00 2.52 H new ATOM 0 HD12 LEU A 23 -9.144 1.851 8.400 1.00 2.52 H new ATOM 0 HD13 LEU A 23 -10.915 1.964 8.269 1.00 2.52 H new ATOM 0 HD21 LEU A 23 -10.708 -0.987 6.956 1.00 11.35 H new ATOM 0 HD22 LEU A 23 -11.752 0.012 5.917 1.00 11.35 H new ATOM 0 HD23 LEU A 23 -10.245 -0.675 5.266 1.00 11.35 H new ATOM 378 N ASN A 24 -8.767 3.256 2.572 1.00 4.53 N ATOM 379 CA ASN A 24 -8.275 4.403 1.824 1.00 3.22 C ATOM 380 C ASN A 24 -7.914 5.587 2.720 1.00 72.23 C ATOM 381 O ASN A 24 -8.275 6.735 2.469 1.00 54.20 O ATOM 382 CB ASN A 24 -9.310 4.775 0.718 1.00 43.11 C ATOM 383 CG ASN A 24 -8.770 5.691 -0.382 1.00 11.21 C ATOM 384 OD1 ASN A 24 -9.351 6.729 -0.707 1.00 70.41 O ATOM 385 ND2 ASN A 24 -7.643 5.270 -1.016 1.00 14.14 N ATOM 0 H ASN A 24 -8.198 2.425 2.412 1.00 4.53 H new ATOM 0 HA ASN A 24 -7.336 4.127 1.344 1.00 3.22 H new ATOM 0 HB2 ASN A 24 -9.677 3.857 0.259 1.00 43.11 H new ATOM 0 HB3 ASN A 24 -10.165 5.260 1.188 1.00 43.11 H new ATOM 0 HD21 ASN A 24 -7.255 5.818 -1.784 1.00 14.14 H new ATOM 0 HD22 ASN A 24 -7.186 4.407 -0.723 1.00 14.14 H new ATOM 392 N VAL A 25 -7.167 5.304 3.805 1.00 52.52 N ATOM 393 CA VAL A 25 -6.816 6.270 4.834 1.00 31.03 C ATOM 394 C VAL A 25 -5.305 6.421 4.882 1.00 53.35 C ATOM 395 O VAL A 25 -4.590 5.531 4.422 1.00 33.11 O ATOM 396 CB VAL A 25 -7.364 5.894 6.212 1.00 3.53 C ATOM 397 CG1 VAL A 25 -8.904 5.910 6.175 1.00 12.45 C ATOM 398 CG2 VAL A 25 -6.837 4.516 6.660 1.00 34.53 C ATOM 0 H VAL A 25 -6.788 4.374 3.983 1.00 52.52 H new ATOM 0 HA VAL A 25 -7.279 7.221 4.570 1.00 31.03 H new ATOM 0 HB VAL A 25 -7.019 6.627 6.941 1.00 3.53 H new ATOM 0 HG11 VAL A 25 -9.294 5.642 7.157 1.00 12.45 H new ATOM 0 HG12 VAL A 25 -9.251 6.908 5.906 1.00 12.45 H new ATOM 0 HG13 VAL A 25 -9.258 5.192 5.436 1.00 12.45 H new ATOM 0 HG21 VAL A 25 -7.242 4.273 7.642 1.00 34.53 H new ATOM 0 HG22 VAL A 25 -7.147 3.757 5.942 1.00 34.53 H new ATOM 0 HG23 VAL A 25 -5.749 4.542 6.713 1.00 34.53 H new ATOM 408 N PRO A 26 -4.739 7.519 5.378 1.00 64.13 N ATOM 409 CA PRO A 26 -3.296 7.674 5.484 1.00 72.25 C ATOM 410 C PRO A 26 -2.681 6.877 6.623 1.00 41.14 C ATOM 411 O PRO A 26 -3.360 6.410 7.537 1.00 32.40 O ATOM 412 CB PRO A 26 -3.115 9.188 5.696 1.00 43.25 C ATOM 413 CG PRO A 26 -4.393 9.616 6.416 1.00 2.04 C ATOM 414 CD PRO A 26 -5.451 8.749 5.740 1.00 44.44 C ATOM 0 HA PRO A 26 -2.786 7.291 4.600 1.00 72.25 H new ATOM 0 HB2 PRO A 26 -2.229 9.404 6.293 1.00 43.25 H new ATOM 0 HB3 PRO A 26 -2.996 9.712 4.748 1.00 43.25 H new ATOM 0 HG2 PRO A 26 -4.338 9.429 7.488 1.00 2.04 H new ATOM 0 HG3 PRO A 26 -4.596 10.679 6.288 1.00 2.04 H new ATOM 0 HD2 PRO A 26 -6.284 8.543 6.412 1.00 44.44 H new ATOM 0 HD3 PRO A 26 -5.865 9.242 4.860 1.00 44.44 H new ATOM 422 N ASP A 27 -1.335 6.767 6.585 1.00 44.45 N ATOM 423 CA ASP A 27 -0.460 6.101 7.532 1.00 72.22 C ATOM 424 C ASP A 27 -0.526 6.795 8.887 1.00 75.41 C ATOM 425 O ASP A 27 -0.288 6.202 9.933 1.00 4.04 O ATOM 426 CB ASP A 27 0.983 6.079 6.952 1.00 25.51 C ATOM 427 CG ASP A 27 1.945 5.211 7.764 1.00 42.14 C ATOM 428 OD1 ASP A 27 2.934 5.777 8.295 1.00 61.32 O ATOM 429 OD2 ASP A 27 1.703 3.979 7.830 1.00 61.13 O ATOM 0 H ASP A 27 -0.803 7.182 5.820 1.00 44.45 H new ATOM 0 HA ASP A 27 -0.782 5.071 7.688 1.00 72.22 H new ATOM 0 HB2 ASP A 27 0.950 5.712 5.926 1.00 25.51 H new ATOM 0 HB3 ASP A 27 1.368 7.098 6.913 1.00 25.51 H new ATOM 434 N ALA A 28 -0.899 8.088 8.871 1.00 40.44 N ATOM 435 CA ALA A 28 -1.159 8.913 10.021 1.00 12.40 C ATOM 436 C ALA A 28 -2.266 8.382 10.912 1.00 12.51 C ATOM 437 O ALA A 28 -2.246 8.577 12.124 1.00 43.25 O ATOM 438 CB ALA A 28 -1.541 10.325 9.558 1.00 13.10 C ATOM 0 H ALA A 28 -1.029 8.595 7.996 1.00 40.44 H new ATOM 0 HA ALA A 28 -0.242 8.917 10.611 1.00 12.40 H new ATOM 0 HB1 ALA A 28 -1.739 10.952 10.427 1.00 13.10 H new ATOM 0 HB2 ALA A 28 -0.721 10.753 8.981 1.00 13.10 H new ATOM 0 HB3 ALA A 28 -2.435 10.275 8.936 1.00 13.10 H new ATOM 444 N VAL A 29 -3.288 7.709 10.348 1.00 52.21 N ATOM 445 CA VAL A 29 -4.426 7.363 11.179 1.00 31.20 C ATOM 446 C VAL A 29 -4.403 5.912 11.604 1.00 13.15 C ATOM 447 O VAL A 29 -4.981 5.553 12.626 1.00 74.14 O ATOM 448 CB VAL A 29 -5.735 7.710 10.525 1.00 22.11 C ATOM 449 CG1 VAL A 29 -5.742 9.174 10.030 1.00 62.20 C ATOM 450 CG2 VAL A 29 -6.243 6.673 9.523 1.00 65.13 C ATOM 0 H VAL A 29 -3.340 7.413 9.373 1.00 52.21 H new ATOM 0 HA VAL A 29 -4.338 7.971 12.080 1.00 31.20 H new ATOM 0 HB VAL A 29 -6.500 7.655 11.300 1.00 22.11 H new ATOM 0 HG11 VAL A 29 -6.701 9.395 9.562 1.00 62.20 H new ATOM 0 HG12 VAL A 29 -5.588 9.845 10.875 1.00 62.20 H new ATOM 0 HG13 VAL A 29 -4.942 9.316 9.303 1.00 62.20 H new ATOM 0 HG21 VAL A 29 -7.191 7.008 9.102 1.00 65.13 H new ATOM 0 HG22 VAL A 29 -5.513 6.553 8.722 1.00 65.13 H new ATOM 0 HG23 VAL A 29 -6.387 5.718 10.029 1.00 65.13 H new ATOM 460 N MET A 30 -3.680 5.029 10.885 1.00 11.11 N ATOM 461 CA MET A 30 -3.398 3.695 11.404 1.00 72.22 C ATOM 462 C MET A 30 -2.434 3.767 12.586 1.00 22.43 C ATOM 463 O MET A 30 -2.536 2.994 13.534 1.00 11.52 O ATOM 464 CB MET A 30 -2.857 2.733 10.309 1.00 13.23 C ATOM 465 CG MET A 30 -1.431 3.028 9.807 1.00 40.10 C ATOM 466 SD MET A 30 -0.084 2.150 10.668 1.00 4.22 S ATOM 467 CE MET A 30 -0.349 0.546 9.854 1.00 23.42 C ATOM 0 H MET A 30 -3.292 5.220 9.961 1.00 11.11 H new ATOM 0 HA MET A 30 -4.346 3.282 11.749 1.00 72.22 H new ATOM 0 HB2 MET A 30 -2.882 1.716 10.700 1.00 13.23 H new ATOM 0 HB3 MET A 30 -3.536 2.763 9.457 1.00 13.23 H new ATOM 0 HG2 MET A 30 -1.381 2.779 8.747 1.00 40.10 H new ATOM 0 HG3 MET A 30 -1.252 4.100 9.891 1.00 40.10 H new ATOM 0 HE1 MET A 30 0.479 -0.123 10.090 1.00 23.42 H new ATOM 0 HE2 MET A 30 -1.282 0.108 10.208 1.00 23.42 H new ATOM 0 HE3 MET A 30 -0.402 0.690 8.775 1.00 23.42 H new ATOM 477 N GLN A 31 -1.499 4.754 12.595 1.00 40.22 N ATOM 478 CA GLN A 31 -0.596 4.970 13.707 1.00 35.13 C ATOM 479 C GLN A 31 -1.271 5.634 14.882 1.00 32.23 C ATOM 480 O GLN A 31 -0.811 5.529 16.017 1.00 74.23 O ATOM 481 CB GLN A 31 0.693 5.716 13.278 1.00 14.52 C ATOM 482 CG GLN A 31 0.640 7.195 12.852 1.00 42.10 C ATOM 483 CD GLN A 31 0.679 8.164 14.029 1.00 0.21 C ATOM 484 OE1 GLN A 31 1.668 8.274 14.757 1.00 13.13 O ATOM 485 NE2 GLN A 31 -0.456 8.879 14.210 1.00 43.03 N ATOM 0 H GLN A 31 -1.368 5.409 11.824 1.00 40.22 H new ATOM 0 HA GLN A 31 -0.290 3.981 14.047 1.00 35.13 H new ATOM 0 HB2 GLN A 31 1.395 5.646 14.109 1.00 14.52 H new ATOM 0 HB3 GLN A 31 1.125 5.158 12.447 1.00 14.52 H new ATOM 0 HG2 GLN A 31 1.480 7.405 12.189 1.00 42.10 H new ATOM 0 HG3 GLN A 31 -0.270 7.368 12.278 1.00 42.10 H new ATOM 0 HE21 GLN A 31 -1.246 8.750 13.578 1.00 43.03 H new ATOM 0 HE22 GLN A 31 -0.521 9.547 14.978 1.00 43.03 H new ATOM 494 N ASP A 32 -2.446 6.268 14.662 1.00 53.05 N ATOM 495 CA ASP A 32 -3.292 6.725 15.756 1.00 1.44 C ATOM 496 C ASP A 32 -3.753 5.579 16.668 1.00 73.10 C ATOM 497 O ASP A 32 -3.755 5.706 17.887 1.00 64.14 O ATOM 498 CB ASP A 32 -4.539 7.476 15.238 1.00 50.54 C ATOM 499 CG ASP A 32 -4.298 8.889 14.721 1.00 10.32 C ATOM 500 OD1 ASP A 32 -3.240 9.487 15.033 1.00 11.23 O ATOM 501 OD2 ASP A 32 -5.235 9.399 14.045 1.00 51.10 O ATOM 0 H ASP A 32 -2.817 6.468 13.733 1.00 53.05 H new ATOM 0 HA ASP A 32 -2.669 7.404 16.338 1.00 1.44 H new ATOM 0 HB2 ASP A 32 -4.986 6.888 14.437 1.00 50.54 H new ATOM 0 HB3 ASP A 32 -5.271 7.525 16.044 1.00 50.54 H new ATOM 506 N PHE A 33 -4.096 4.418 16.082 1.00 35.23 N ATOM 507 CA PHE A 33 -4.315 3.141 16.750 1.00 34.10 C ATOM 508 C PHE A 33 -3.118 2.596 17.522 1.00 73.51 C ATOM 509 O PHE A 33 -3.264 2.075 18.621 1.00 13.20 O ATOM 510 CB PHE A 33 -4.910 2.182 15.692 1.00 51.12 C ATOM 511 CG PHE A 33 -4.883 0.707 15.956 1.00 71.02 C ATOM 512 CD1 PHE A 33 -3.993 -0.092 15.219 1.00 22.31 C ATOM 513 CD2 PHE A 33 -5.744 0.100 16.869 1.00 31.42 C ATOM 514 CE1 PHE A 33 -4.022 -1.485 15.344 1.00 64.34 C ATOM 515 CE2 PHE A 33 -5.836 -1.296 16.936 1.00 42.24 C ATOM 516 CZ PHE A 33 -4.965 -2.093 16.182 1.00 50.41 C ATOM 0 H PHE A 33 -4.233 4.352 15.073 1.00 35.23 H new ATOM 0 HA PHE A 33 -5.023 3.271 17.568 1.00 34.10 H new ATOM 0 HB2 PHE A 33 -5.949 2.470 15.534 1.00 51.12 H new ATOM 0 HB3 PHE A 33 -4.384 2.359 14.754 1.00 51.12 H new ATOM 0 HD1 PHE A 33 -3.282 0.372 14.552 1.00 22.31 H new ATOM 0 HD2 PHE A 33 -6.344 0.710 17.529 1.00 31.42 H new ATOM 0 HE1 PHE A 33 -3.317 -2.091 14.794 1.00 64.34 H new ATOM 0 HE2 PHE A 33 -6.579 -1.758 17.569 1.00 42.24 H new ATOM 0 HZ PHE A 33 -5.020 -3.170 16.247 1.00 50.41 H new ATOM 526 N PHE A 34 -1.894 2.711 16.988 1.00 23.44 N ATOM 527 CA PHE A 34 -0.683 2.387 17.751 1.00 21.10 C ATOM 528 C PHE A 34 -0.478 3.278 18.982 1.00 34.55 C ATOM 529 O PHE A 34 -0.176 2.793 20.071 1.00 0.34 O ATOM 530 CB PHE A 34 0.602 2.471 16.882 1.00 11.42 C ATOM 531 CG PHE A 34 0.785 1.257 16.013 1.00 14.42 C ATOM 532 CD1 PHE A 34 1.562 0.189 16.498 1.00 0.24 C ATOM 533 CD2 PHE A 34 0.236 1.164 14.724 1.00 34.13 C ATOM 534 CE1 PHE A 34 1.830 -0.926 15.695 1.00 53.35 C ATOM 535 CE2 PHE A 34 0.501 0.050 13.917 1.00 11.21 C ATOM 536 CZ PHE A 34 1.310 -0.987 14.398 1.00 15.22 C ATOM 0 H PHE A 34 -1.718 3.025 16.034 1.00 23.44 H new ATOM 0 HA PHE A 34 -0.846 1.361 18.082 1.00 21.10 H new ATOM 0 HB2 PHE A 34 0.555 3.361 16.254 1.00 11.42 H new ATOM 0 HB3 PHE A 34 1.470 2.584 17.531 1.00 11.42 H new ATOM 0 HD1 PHE A 34 1.957 0.230 17.502 1.00 0.24 H new ATOM 0 HD2 PHE A 34 -0.395 1.957 14.352 1.00 34.13 H new ATOM 0 HE1 PHE A 34 2.436 -1.735 16.075 1.00 53.35 H new ATOM 0 HE2 PHE A 34 0.081 -0.009 12.924 1.00 11.21 H new ATOM 0 HZ PHE A 34 1.533 -1.835 13.767 1.00 15.22 H new ATOM 546 N ASN A 35 -0.687 4.605 18.834 1.00 51.45 N ATOM 547 CA ASN A 35 -0.678 5.608 19.887 1.00 12.42 C ATOM 548 C ASN A 35 -1.788 5.454 20.916 1.00 72.01 C ATOM 549 O ASN A 35 -1.613 5.801 22.078 1.00 52.24 O ATOM 550 CB ASN A 35 -0.736 7.017 19.257 1.00 15.34 C ATOM 551 CG ASN A 35 0.631 7.426 18.703 1.00 42.33 C ATOM 552 OD1 ASN A 35 1.495 7.873 19.461 1.00 15.11 O ATOM 553 ND2 ASN A 35 0.833 7.285 17.373 1.00 23.31 N ATOM 0 H ASN A 35 -0.876 5.014 17.919 1.00 51.45 H new ATOM 0 HA ASN A 35 0.253 5.462 20.435 1.00 12.42 H new ATOM 0 HB2 ASN A 35 -1.476 7.031 18.457 1.00 15.34 H new ATOM 0 HB3 ASN A 35 -1.061 7.741 20.005 1.00 15.34 H new ATOM 0 HD21 ASN A 35 1.727 7.553 16.962 1.00 23.31 H new ATOM 0 HD22 ASN A 35 0.091 6.911 16.781 1.00 23.31 H new ATOM 560 N PHE A 36 -2.946 4.901 20.516 1.00 74.50 N ATOM 561 CA PHE A 36 -4.135 4.641 21.310 1.00 13.20 C ATOM 562 C PHE A 36 -3.856 3.758 22.511 1.00 44.24 C ATOM 563 O PHE A 36 -4.413 3.960 23.587 1.00 30.02 O ATOM 564 CB PHE A 36 -5.214 4.034 20.369 1.00 0.51 C ATOM 565 CG PHE A 36 -6.507 3.704 21.036 1.00 60.44 C ATOM 566 CD1 PHE A 36 -6.783 2.385 21.435 1.00 52.40 C ATOM 567 CD2 PHE A 36 -7.429 4.718 21.312 1.00 1.20 C ATOM 568 CE1 PHE A 36 -7.975 2.086 22.101 1.00 75.52 C ATOM 569 CE2 PHE A 36 -8.615 4.428 21.989 1.00 35.21 C ATOM 570 CZ PHE A 36 -8.884 3.112 22.377 1.00 35.02 C ATOM 0 H PHE A 36 -3.073 4.604 19.548 1.00 74.50 H new ATOM 0 HA PHE A 36 -4.499 5.577 21.734 1.00 13.20 H new ATOM 0 HB2 PHE A 36 -5.408 4.737 19.559 1.00 0.51 H new ATOM 0 HB3 PHE A 36 -4.813 3.128 19.915 1.00 0.51 H new ATOM 0 HD1 PHE A 36 -6.072 1.600 21.226 1.00 52.40 H new ATOM 0 HD2 PHE A 36 -7.223 5.731 21.000 1.00 1.20 H new ATOM 0 HE1 PHE A 36 -8.192 1.071 22.400 1.00 75.52 H new ATOM 0 HE2 PHE A 36 -9.320 5.215 22.212 1.00 35.21 H new ATOM 0 HZ PHE A 36 -9.804 2.885 22.896 1.00 35.02 H new ATOM 580 N TRP A 37 -2.991 2.738 22.347 1.00 22.40 N ATOM 581 CA TRP A 37 -2.632 1.827 23.413 1.00 4.11 C ATOM 582 C TRP A 37 -1.834 2.491 24.523 1.00 31.05 C ATOM 583 O TRP A 37 -1.815 1.994 25.649 1.00 34.50 O ATOM 584 CB TRP A 37 -1.837 0.615 22.882 1.00 55.24 C ATOM 585 CG TRP A 37 -2.565 -0.177 21.811 1.00 11.43 C ATOM 586 CD1 TRP A 37 -2.118 -0.390 20.539 1.00 52.25 C ATOM 587 CD2 TRP A 37 -3.921 -0.673 21.852 1.00 53.42 C ATOM 588 NE1 TRP A 37 -3.063 -1.072 19.804 1.00 72.40 N ATOM 589 CE2 TRP A 37 -4.186 -1.231 20.585 1.00 21.00 C ATOM 590 CE3 TRP A 37 -4.902 -0.661 22.846 1.00 53.41 C ATOM 591 CZ2 TRP A 37 -5.425 -1.784 20.299 1.00 3.52 C ATOM 592 CZ3 TRP A 37 -6.174 -1.159 22.526 1.00 24.25 C ATOM 593 CH2 TRP A 37 -6.436 -1.705 21.265 1.00 52.41 C ATOM 0 H TRP A 37 -2.528 2.535 21.461 1.00 22.40 H new ATOM 0 HA TRP A 37 -3.580 1.490 23.832 1.00 4.11 H new ATOM 0 HB2 TRP A 37 -0.887 0.965 22.478 1.00 55.24 H new ATOM 0 HB3 TRP A 37 -1.605 -0.048 23.715 1.00 55.24 H new ATOM 0 HD1 TRP A 37 -1.158 -0.069 20.162 1.00 52.25 H new ATOM 0 HE1 TRP A 37 -2.950 -1.402 18.846 1.00 72.40 H new ATOM 0 HE3 TRP A 37 -4.687 -0.279 23.833 1.00 53.41 H new ATOM 0 HZ2 TRP A 37 -5.607 -2.266 19.350 1.00 3.52 H new ATOM 0 HZ3 TRP A 37 -6.962 -1.120 23.264 1.00 24.25 H new ATOM 0 HH2 TRP A 37 -7.426 -2.069 21.034 1.00 52.41 H new ATOM 604 N LYS A 38 -1.161 3.636 24.236 1.00 14.14 N ATOM 605 CA LYS A 38 -0.499 4.433 25.267 1.00 22.43 C ATOM 606 C LYS A 38 -1.520 4.976 26.268 1.00 14.45 C ATOM 607 O LYS A 38 -2.526 5.582 25.900 1.00 53.43 O ATOM 608 CB LYS A 38 0.275 5.626 24.649 1.00 34.53 C ATOM 609 CG LYS A 38 1.076 6.510 25.629 1.00 3.22 C ATOM 610 CD LYS A 38 2.231 5.792 26.360 1.00 44.13 C ATOM 611 CE LYS A 38 3.354 5.252 25.466 1.00 33.31 C ATOM 612 NZ LYS A 38 4.048 6.358 24.777 1.00 52.45 N ATOM 0 H LYS A 38 -1.071 4.016 23.294 1.00 14.14 H new ATOM 0 HA LYS A 38 0.206 3.776 25.777 1.00 22.43 H new ATOM 0 HB2 LYS A 38 0.965 5.234 23.901 1.00 34.53 H new ATOM 0 HB3 LYS A 38 -0.439 6.260 24.123 1.00 34.53 H new ATOM 0 HG2 LYS A 38 1.485 7.357 25.079 1.00 3.22 H new ATOM 0 HG3 LYS A 38 0.390 6.914 26.374 1.00 3.22 H new ATOM 0 HD2 LYS A 38 2.667 6.485 27.080 1.00 44.13 H new ATOM 0 HD3 LYS A 38 1.815 4.961 26.930 1.00 44.13 H new ATOM 0 HE2 LYS A 38 4.066 4.688 26.068 1.00 33.31 H new ATOM 0 HE3 LYS A 38 2.941 4.561 24.731 1.00 33.31 H new ATOM 0 HZ1 LYS A 38 4.816 5.974 24.190 1.00 52.45 H new ATOM 0 HZ2 LYS A 38 3.373 6.869 24.173 1.00 52.45 H new ATOM 0 HZ3 LYS A 38 4.445 7.011 25.482 1.00 52.45 H new ATOM 626 N GLU A 39 -1.308 4.756 27.587 1.00 22.34 N ATOM 627 CA GLU A 39 -2.365 4.991 28.549 1.00 40.54 C ATOM 628 C GLU A 39 -2.690 6.453 28.783 1.00 42.54 C ATOM 629 O GLU A 39 -1.828 7.299 29.012 1.00 72.12 O ATOM 630 CB GLU A 39 -2.097 4.286 29.911 1.00 43.31 C ATOM 631 CG GLU A 39 -0.841 4.725 30.717 1.00 25.12 C ATOM 632 CD GLU A 39 0.433 3.947 30.371 1.00 12.43 C ATOM 633 OE1 GLU A 39 0.838 3.966 29.178 1.00 23.24 O ATOM 634 OE2 GLU A 39 1.006 3.324 31.302 1.00 41.35 O ATOM 0 H GLU A 39 -0.429 4.424 27.985 1.00 22.34 H new ATOM 0 HA GLU A 39 -3.243 4.545 28.083 1.00 40.54 H new ATOM 0 HB2 GLU A 39 -2.971 4.436 30.544 1.00 43.31 H new ATOM 0 HB3 GLU A 39 -2.019 3.215 29.725 1.00 43.31 H new ATOM 0 HG2 GLU A 39 -0.664 5.786 30.542 1.00 25.12 H new ATOM 0 HG3 GLU A 39 -1.047 4.608 31.781 1.00 25.12 H new ATOM 641 N GLY A 40 -4.002 6.773 28.696 1.00 10.35 N ATOM 642 CA GLY A 40 -4.528 8.117 28.856 1.00 73.41 C ATOM 643 C GLY A 40 -4.356 8.982 27.635 1.00 42.13 C ATOM 644 O GLY A 40 -4.787 10.133 27.641 1.00 53.15 O ATOM 0 H GLY A 40 -4.725 6.079 28.508 1.00 10.35 H new ATOM 0 HA2 GLY A 40 -5.588 8.056 29.101 1.00 73.41 H new ATOM 0 HA3 GLY A 40 -4.032 8.594 29.701 1.00 73.41 H new ATOM 648 N TYR A 41 -3.703 8.473 26.561 1.00 64.44 N ATOM 649 CA TYR A 41 -3.306 9.297 25.435 1.00 55.31 C ATOM 650 C TYR A 41 -4.512 9.733 24.600 1.00 32.11 C ATOM 651 O TYR A 41 -5.431 8.962 24.324 1.00 14.13 O ATOM 652 CB TYR A 41 -2.250 8.566 24.566 1.00 61.22 C ATOM 653 CG TYR A 41 -1.530 9.506 23.643 1.00 20.35 C ATOM 654 CD1 TYR A 41 -1.565 9.360 22.251 1.00 34.15 C ATOM 655 CD2 TYR A 41 -0.776 10.549 24.205 1.00 53.42 C ATOM 656 CE1 TYR A 41 -0.872 10.261 21.425 1.00 2.15 C ATOM 657 CE2 TYR A 41 -0.089 11.453 23.385 1.00 40.31 C ATOM 658 CZ TYR A 41 -0.139 11.311 21.994 1.00 3.35 C ATOM 659 OH TYR A 41 0.560 12.221 21.175 1.00 61.41 O ATOM 0 H TYR A 41 -3.448 7.490 26.469 1.00 64.44 H new ATOM 0 HA TYR A 41 -2.849 10.204 25.831 1.00 55.31 H new ATOM 0 HB2 TYR A 41 -1.527 8.071 25.215 1.00 61.22 H new ATOM 0 HB3 TYR A 41 -2.739 7.787 23.981 1.00 61.22 H new ATOM 0 HD1 TYR A 41 -2.128 8.551 21.810 1.00 34.15 H new ATOM 0 HD2 TYR A 41 -0.725 10.655 25.279 1.00 53.42 H new ATOM 0 HE1 TYR A 41 -0.904 10.144 20.352 1.00 2.15 H new ATOM 0 HE2 TYR A 41 0.479 12.259 23.826 1.00 40.31 H new ATOM 0 HH TYR A 41 1.012 12.885 21.736 1.00 61.41 H new ATOM 669 N GLN A 42 -4.558 11.027 24.211 1.00 75.43 N ATOM 670 CA GLN A 42 -5.784 11.648 23.742 1.00 54.45 C ATOM 671 C GLN A 42 -6.022 11.455 22.263 1.00 34.44 C ATOM 672 O GLN A 42 -5.829 12.345 21.438 1.00 10.13 O ATOM 673 CB GLN A 42 -5.867 13.162 24.067 1.00 50.34 C ATOM 674 CG GLN A 42 -5.850 13.451 25.584 1.00 4.11 C ATOM 675 CD GLN A 42 -4.432 13.664 26.125 1.00 55.14 C ATOM 676 OE1 GLN A 42 -3.780 14.660 25.804 1.00 31.33 O ATOM 677 NE2 GLN A 42 -3.934 12.723 26.966 1.00 22.05 N ATOM 0 H GLN A 42 -3.750 11.650 24.218 1.00 75.43 H new ATOM 0 HA GLN A 42 -6.567 11.128 24.294 1.00 54.45 H new ATOM 0 HB2 GLN A 42 -5.030 13.677 23.594 1.00 50.34 H new ATOM 0 HB3 GLN A 42 -6.779 13.572 23.634 1.00 50.34 H new ATOM 0 HG2 GLN A 42 -6.450 14.337 25.788 1.00 4.11 H new ATOM 0 HG3 GLN A 42 -6.317 12.621 26.114 1.00 4.11 H new ATOM 0 HE21 GLN A 42 -4.498 11.910 27.213 1.00 22.05 H new ATOM 0 HE22 GLN A 42 -2.996 12.829 27.351 1.00 22.05 H new ATOM 686 N ILE A 43 -6.497 10.250 21.916 1.00 41.15 N ATOM 687 CA ILE A 43 -6.873 9.891 20.563 1.00 54.22 C ATOM 688 C ILE A 43 -8.376 10.063 20.440 1.00 24.25 C ATOM 689 O ILE A 43 -9.163 9.380 21.092 1.00 12.45 O ATOM 690 CB ILE A 43 -6.475 8.461 20.252 1.00 43.23 C ATOM 691 CG1 ILE A 43 -4.953 8.243 20.432 1.00 30.53 C ATOM 692 CG2 ILE A 43 -6.938 8.033 18.837 1.00 10.42 C ATOM 693 CD1 ILE A 43 -4.046 8.925 19.405 1.00 24.33 C ATOM 0 H ILE A 43 -6.629 9.493 22.587 1.00 41.15 H new ATOM 0 HA ILE A 43 -6.356 10.533 19.849 1.00 54.22 H new ATOM 0 HB ILE A 43 -6.988 7.822 20.971 1.00 43.23 H new ATOM 0 HG12 ILE A 43 -4.672 8.595 21.425 1.00 30.53 H new ATOM 0 HG13 ILE A 43 -4.755 7.171 20.406 1.00 30.53 H new ATOM 0 HG21 ILE A 43 -6.634 7.003 18.651 1.00 10.42 H new ATOM 0 HG22 ILE A 43 -8.023 8.109 18.771 1.00 10.42 H new ATOM 0 HG23 ILE A 43 -6.482 8.686 18.092 1.00 10.42 H new ATOM 0 HD11 ILE A 43 -3.004 8.700 19.634 1.00 24.33 H new ATOM 0 HD12 ILE A 43 -4.286 8.558 18.407 1.00 24.33 H new ATOM 0 HD13 ILE A 43 -4.201 10.003 19.442 1.00 24.33 H new ATOM 705 N THR A 44 -8.803 11.015 19.584 1.00 42.21 N ATOM 706 CA THR A 44 -10.191 11.433 19.432 1.00 11.03 C ATOM 707 C THR A 44 -10.669 11.223 18.011 1.00 31.54 C ATOM 708 O THR A 44 -11.801 11.553 17.669 1.00 65.34 O ATOM 709 CB THR A 44 -10.398 12.893 19.830 1.00 0.23 C ATOM 710 OG1 THR A 44 -9.588 13.779 19.062 1.00 71.32 O ATOM 711 CG2 THR A 44 -10.039 13.095 21.316 1.00 41.14 C ATOM 0 H THR A 44 -8.166 11.521 18.968 1.00 42.21 H new ATOM 0 HA THR A 44 -10.779 10.810 20.106 1.00 11.03 H new ATOM 0 HB THR A 44 -11.448 13.121 19.646 1.00 0.23 H new ATOM 0 HG1 THR A 44 -9.752 14.702 19.347 1.00 71.32 H new ATOM 0 HG21 THR A 44 -10.190 14.140 21.588 1.00 41.14 H new ATOM 0 HG22 THR A 44 -10.677 12.463 21.934 1.00 41.14 H new ATOM 0 HG23 THR A 44 -8.995 12.826 21.478 1.00 41.14 H new ATOM 719 N ASN A 45 -9.793 10.693 17.131 1.00 40.34 N ATOM 720 CA ASN A 45 -9.963 10.740 15.702 1.00 61.42 C ATOM 721 C ASN A 45 -10.813 9.599 15.201 1.00 2.33 C ATOM 722 O ASN A 45 -10.559 8.435 15.490 1.00 61.42 O ATOM 723 CB ASN A 45 -8.576 10.743 15.014 1.00 3.22 C ATOM 724 CG ASN A 45 -8.695 11.071 13.527 1.00 31.43 C ATOM 725 OD1 ASN A 45 -9.588 11.804 13.098 1.00 74.22 O ATOM 726 ND2 ASN A 45 -7.785 10.479 12.720 1.00 71.25 N ATOM 0 H ASN A 45 -8.939 10.216 17.421 1.00 40.34 H new ATOM 0 HA ASN A 45 -10.490 11.660 15.449 1.00 61.42 H new ATOM 0 HB2 ASN A 45 -7.929 11.474 15.499 1.00 3.22 H new ATOM 0 HB3 ASN A 45 -8.105 9.768 15.137 1.00 3.22 H new ATOM 0 HD21 ASN A 45 -7.821 10.632 11.712 1.00 71.25 H new ATOM 0 HD22 ASN A 45 -7.063 9.880 13.119 1.00 71.25 H new ATOM 733 N ARG A 46 -11.812 9.927 14.359 1.00 52.43 N ATOM 734 CA ARG A 46 -12.814 9.025 13.834 1.00 34.13 C ATOM 735 C ARG A 46 -12.230 7.879 13.033 1.00 61.11 C ATOM 736 O ARG A 46 -12.710 6.751 13.086 1.00 2.33 O ATOM 737 CB ARG A 46 -13.814 9.827 12.984 1.00 12.32 C ATOM 738 CG ARG A 46 -13.206 10.471 11.727 1.00 1.32 C ATOM 739 CD ARG A 46 -14.141 11.530 11.143 1.00 50.35 C ATOM 740 NE ARG A 46 -15.411 10.861 10.711 1.00 13.23 N ATOM 741 CZ ARG A 46 -16.447 11.551 10.148 1.00 74.00 C ATOM 742 NH1 ARG A 46 -16.314 12.876 9.860 1.00 2.04 N ATOM 743 NH2 ARG A 46 -17.615 10.896 9.891 1.00 52.43 N ATOM 0 H ARG A 46 -11.934 10.881 14.019 1.00 52.43 H new ATOM 0 HA ARG A 46 -13.320 8.566 14.683 1.00 34.13 H new ATOM 0 HB2 ARG A 46 -14.627 9.167 12.682 1.00 12.32 H new ATOM 0 HB3 ARG A 46 -14.252 10.610 13.603 1.00 12.32 H new ATOM 0 HG2 ARG A 46 -12.247 10.926 11.975 1.00 1.32 H new ATOM 0 HG3 ARG A 46 -13.010 9.702 10.979 1.00 1.32 H new ATOM 0 HD2 ARG A 46 -14.352 12.299 11.886 1.00 50.35 H new ATOM 0 HD3 ARG A 46 -13.668 12.027 10.296 1.00 50.35 H new ATOM 0 HE ARG A 46 -15.505 9.854 10.842 1.00 13.23 H new ATOM 0 HH11 ARG A 46 -15.438 13.357 10.065 1.00 2.04 H new ATOM 0 HH12 ARG A 46 -17.090 13.387 9.440 1.00 2.04 H new ATOM 0 HH21 ARG A 46 -17.705 9.906 10.119 1.00 52.43 H new ATOM 0 HH22 ARG A 46 -18.398 11.396 9.471 1.00 52.43 H new ATOM 757 N GLU A 47 -11.101 8.123 12.338 1.00 32.44 N ATOM 758 CA GLU A 47 -10.320 7.108 11.690 1.00 62.12 C ATOM 759 C GLU A 47 -9.720 6.077 12.586 1.00 75.14 C ATOM 760 O GLU A 47 -9.575 4.934 12.159 1.00 34.23 O ATOM 761 CB GLU A 47 -9.212 7.716 10.829 1.00 61.42 C ATOM 762 CG GLU A 47 -9.700 8.218 9.457 1.00 34.14 C ATOM 763 CD GLU A 47 -8.856 9.305 8.803 1.00 14.11 C ATOM 764 OE1 GLU A 47 -8.667 10.367 9.455 1.00 32.43 O ATOM 765 OE2 GLU A 47 -8.406 9.091 7.648 1.00 43.02 O ATOM 0 H GLU A 47 -10.717 9.061 12.223 1.00 32.44 H new ATOM 0 HA GLU A 47 -11.053 6.587 11.074 1.00 62.12 H new ATOM 0 HB2 GLU A 47 -8.758 8.547 11.370 1.00 61.42 H new ATOM 0 HB3 GLU A 47 -8.432 6.970 10.677 1.00 61.42 H new ATOM 0 HG2 GLU A 47 -9.750 7.367 8.778 1.00 34.14 H new ATOM 0 HG3 GLU A 47 -10.716 8.595 9.571 1.00 34.14 H new ATOM 772 N ALA A 48 -9.369 6.432 13.840 1.00 12.11 N ATOM 773 CA ALA A 48 -8.820 5.442 14.763 1.00 32.04 C ATOM 774 C ALA A 48 -9.795 4.290 14.976 1.00 61.21 C ATOM 775 O ALA A 48 -9.424 3.128 14.896 1.00 3.05 O ATOM 776 CB ALA A 48 -8.470 6.041 16.153 1.00 72.54 C ATOM 0 H ALA A 48 -9.456 7.374 14.221 1.00 12.11 H new ATOM 0 HA ALA A 48 -7.902 5.085 14.296 1.00 32.04 H new ATOM 0 HB1 ALA A 48 -8.067 5.258 16.795 1.00 72.54 H new ATOM 0 HB2 ALA A 48 -7.728 6.830 16.033 1.00 72.54 H new ATOM 0 HB3 ALA A 48 -9.370 6.455 16.608 1.00 72.54 H new ATOM 782 N GLY A 49 -11.103 4.582 15.139 1.00 42.14 N ATOM 783 CA GLY A 49 -12.144 3.567 15.267 1.00 53.50 C ATOM 784 C GLY A 49 -12.307 2.749 14.036 1.00 64.43 C ATOM 785 O GLY A 49 -12.519 1.544 14.125 1.00 33.45 O ATOM 0 H GLY A 49 -11.458 5.537 15.184 1.00 42.14 H new ATOM 0 HA2 GLY A 49 -11.905 2.911 16.104 1.00 53.50 H new ATOM 0 HA3 GLY A 49 -13.091 4.052 15.503 1.00 53.50 H new ATOM 789 N CYS A 50 -12.207 3.397 12.850 1.00 70.23 N ATOM 790 CA CYS A 50 -12.375 2.761 11.561 1.00 51.20 C ATOM 791 C CYS A 50 -11.305 1.714 11.328 1.00 21.11 C ATOM 792 O CYS A 50 -11.601 0.623 10.850 1.00 31.33 O ATOM 793 CB CYS A 50 -12.343 3.784 10.395 1.00 73.40 C ATOM 794 SG CYS A 50 -13.743 4.961 10.354 1.00 40.14 S ATOM 0 H CYS A 50 -12.003 4.394 12.783 1.00 70.23 H new ATOM 0 HA CYS A 50 -13.356 2.286 11.578 1.00 51.20 H new ATOM 0 HB2 CYS A 50 -11.414 4.351 10.455 1.00 73.40 H new ATOM 0 HB3 CYS A 50 -12.322 3.236 9.453 1.00 73.40 H new ATOM 799 N VAL A 51 -10.031 1.998 11.696 1.00 32.41 N ATOM 800 CA VAL A 51 -8.991 0.976 11.677 1.00 24.11 C ATOM 801 C VAL A 51 -9.213 -0.080 12.726 1.00 72.30 C ATOM 802 O VAL A 51 -9.076 -1.261 12.460 1.00 52.52 O ATOM 803 CB VAL A 51 -7.557 1.541 11.709 1.00 54.51 C ATOM 804 CG1 VAL A 51 -7.256 2.542 12.840 1.00 53.12 C ATOM 805 CG2 VAL A 51 -6.534 0.401 11.923 1.00 33.14 C ATOM 0 H VAL A 51 -9.716 2.918 12.004 1.00 32.41 H new ATOM 0 HA VAL A 51 -9.083 0.490 10.706 1.00 24.11 H new ATOM 0 HB VAL A 51 -7.474 2.052 10.750 1.00 54.51 H new ATOM 0 HG11 VAL A 51 -6.220 2.874 12.766 1.00 53.12 H new ATOM 0 HG12 VAL A 51 -7.920 3.402 12.751 1.00 53.12 H new ATOM 0 HG13 VAL A 51 -7.414 2.060 13.805 1.00 53.12 H new ATOM 0 HG21 VAL A 51 -5.526 0.816 11.943 1.00 33.14 H new ATOM 0 HG22 VAL A 51 -6.740 -0.099 12.869 1.00 33.14 H new ATOM 0 HG23 VAL A 51 -6.614 -0.318 11.107 1.00 33.14 H new ATOM 815 N ILE A 52 -9.632 0.282 13.941 1.00 4.12 N ATOM 816 CA ILE A 52 -9.784 -0.671 15.037 1.00 31.14 C ATOM 817 C ILE A 52 -10.797 -1.765 14.723 1.00 62.31 C ATOM 818 O ILE A 52 -10.545 -2.953 14.926 1.00 73.31 O ATOM 819 CB ILE A 52 -10.159 0.071 16.318 1.00 24.04 C ATOM 820 CG1 ILE A 52 -8.974 0.898 16.850 1.00 60.51 C ATOM 821 CG2 ILE A 52 -10.699 -0.921 17.370 1.00 11.43 C ATOM 822 CD1 ILE A 52 -9.262 2.116 17.754 1.00 54.20 C ATOM 0 H ILE A 52 -9.874 1.241 14.190 1.00 4.12 H new ATOM 0 HA ILE A 52 -8.826 -1.171 15.177 1.00 31.14 H new ATOM 0 HB ILE A 52 -10.956 0.780 16.093 1.00 24.04 H new ATOM 0 HG12 ILE A 52 -8.323 0.222 17.405 1.00 60.51 H new ATOM 0 HG13 ILE A 52 -8.407 1.253 15.990 1.00 60.51 H new ATOM 0 HG21 ILE A 52 -10.963 -0.380 18.279 1.00 11.43 H new ATOM 0 HG22 ILE A 52 -11.583 -1.423 16.977 1.00 11.43 H new ATOM 0 HG23 ILE A 52 -9.933 -1.662 17.598 1.00 11.43 H new ATOM 0 HD11 ILE A 52 -8.322 2.587 18.041 1.00 54.20 H new ATOM 0 HD12 ILE A 52 -9.877 2.834 17.212 1.00 54.20 H new ATOM 0 HD13 ILE A 52 -9.791 1.788 18.649 1.00 54.20 H new ATOM 834 N LEU A 53 -11.964 -1.375 14.181 1.00 44.43 N ATOM 835 CA LEU A 53 -13.045 -2.272 13.844 1.00 32.34 C ATOM 836 C LEU A 53 -12.760 -3.211 12.703 1.00 70.11 C ATOM 837 O LEU A 53 -13.261 -4.332 12.635 1.00 42.01 O ATOM 838 CB LEU A 53 -14.338 -1.446 13.647 1.00 11.13 C ATOM 839 CG LEU A 53 -14.466 -0.439 12.479 1.00 53.00 C ATOM 840 CD1 LEU A 53 -14.486 -1.069 11.082 1.00 53.24 C ATOM 841 CD2 LEU A 53 -15.752 0.382 12.678 1.00 61.24 C ATOM 0 H LEU A 53 -12.171 -0.400 13.966 1.00 44.43 H new ATOM 0 HA LEU A 53 -13.176 -2.955 14.683 1.00 32.34 H new ATOM 0 HB2 LEU A 53 -15.159 -2.156 13.549 1.00 11.13 H new ATOM 0 HB3 LEU A 53 -14.506 -0.890 14.569 1.00 11.13 H new ATOM 0 HG LEU A 53 -13.569 0.179 12.511 1.00 53.00 H new ATOM 0 HD11 LEU A 53 -14.578 -0.285 10.331 1.00 53.24 H new ATOM 0 HD12 LEU A 53 -13.561 -1.621 10.919 1.00 53.24 H new ATOM 0 HD13 LEU A 53 -15.334 -1.750 11.002 1.00 53.24 H new ATOM 0 HD21 LEU A 53 -15.857 1.097 11.862 1.00 61.24 H new ATOM 0 HD22 LEU A 53 -16.613 -0.287 12.687 1.00 61.24 H new ATOM 0 HD23 LEU A 53 -15.699 0.918 13.626 1.00 61.24 H new ATOM 853 N CYS A 54 -11.897 -2.750 11.792 1.00 52.00 N ATOM 854 CA CYS A 54 -11.383 -3.440 10.650 1.00 32.43 C ATOM 855 C CYS A 54 -10.564 -4.659 11.006 1.00 1.24 C ATOM 856 O CYS A 54 -10.752 -5.703 10.382 1.00 24.22 O ATOM 857 CB CYS A 54 -10.626 -2.398 9.858 1.00 44.51 C ATOM 858 SG CYS A 54 -9.747 -2.905 8.390 1.00 21.13 S ATOM 0 H CYS A 54 -11.521 -1.804 11.859 1.00 52.00 H new ATOM 0 HA CYS A 54 -12.186 -3.869 10.050 1.00 32.43 H new ATOM 0 HB2 CYS A 54 -11.336 -1.624 9.567 1.00 44.51 H new ATOM 0 HB3 CYS A 54 -9.905 -1.932 10.530 1.00 44.51 H new ATOM 863 N LEU A 55 -9.669 -4.613 12.039 1.00 63.40 N ATOM 864 CA LEU A 55 -8.949 -5.788 12.448 1.00 20.05 C ATOM 865 C LEU A 55 -9.828 -6.903 12.904 1.00 62.41 C ATOM 866 O LEU A 55 -9.566 -8.047 12.580 1.00 63.01 O ATOM 867 CB LEU A 55 -8.001 -5.368 13.540 1.00 4.40 C ATOM 868 CG LEU A 55 -6.780 -4.602 13.001 1.00 24.34 C ATOM 869 CD1 LEU A 55 -5.826 -5.548 12.267 1.00 12.02 C ATOM 870 CD2 LEU A 55 -6.943 -3.295 12.230 1.00 52.25 C ATOM 0 H LEU A 55 -9.454 -3.773 12.576 1.00 63.40 H new ATOM 0 HA LEU A 55 -8.417 -6.191 11.586 1.00 20.05 H new ATOM 0 HB2 LEU A 55 -8.532 -4.740 14.256 1.00 4.40 H new ATOM 0 HB3 LEU A 55 -7.661 -6.251 14.081 1.00 4.40 H new ATOM 0 HG LEU A 55 -6.371 -4.220 13.936 1.00 24.34 H new ATOM 0 HD11 LEU A 55 -4.970 -4.985 11.895 1.00 12.02 H new ATOM 0 HD12 LEU A 55 -5.481 -6.321 12.953 1.00 12.02 H new ATOM 0 HD13 LEU A 55 -6.347 -6.012 11.430 1.00 12.02 H new ATOM 0 HD21 LEU A 55 -5.962 -2.919 11.940 1.00 52.25 H new ATOM 0 HD22 LEU A 55 -7.542 -3.472 11.337 1.00 52.25 H new ATOM 0 HD23 LEU A 55 -7.441 -2.560 12.862 1.00 52.25 H new ATOM 882 N ALA A 56 -10.921 -6.589 13.603 1.00 4.41 N ATOM 883 CA ALA A 56 -11.842 -7.533 14.178 1.00 73.31 C ATOM 884 C ALA A 56 -12.450 -8.519 13.205 1.00 3.34 C ATOM 885 O ALA A 56 -12.636 -9.694 13.516 1.00 64.32 O ATOM 886 CB ALA A 56 -12.926 -6.713 14.875 1.00 24.23 C ATOM 0 H ALA A 56 -11.187 -5.621 13.784 1.00 4.41 H new ATOM 0 HA ALA A 56 -11.288 -8.169 14.868 1.00 73.31 H new ATOM 0 HB1 ALA A 56 -13.654 -7.385 15.330 1.00 24.23 H new ATOM 0 HB2 ALA A 56 -12.472 -6.092 15.647 1.00 24.23 H new ATOM 0 HB3 ALA A 56 -13.426 -6.076 14.145 1.00 24.23 H new ATOM 892 N LYS A 57 -12.750 -8.061 11.978 1.00 64.32 N ATOM 893 CA LYS A 57 -13.110 -8.955 10.891 1.00 54.34 C ATOM 894 C LYS A 57 -11.928 -9.780 10.385 1.00 52.25 C ATOM 895 O LYS A 57 -12.040 -10.967 10.077 1.00 24.22 O ATOM 896 CB LYS A 57 -13.719 -8.160 9.710 1.00 35.23 C ATOM 897 CG LYS A 57 -15.076 -7.520 10.048 1.00 34.41 C ATOM 898 CD LYS A 57 -15.675 -6.748 8.861 1.00 25.24 C ATOM 899 CE LYS A 57 -17.054 -6.164 9.167 1.00 60.32 C ATOM 900 NZ LYS A 57 -17.596 -5.509 7.961 1.00 1.54 N ATOM 0 H LYS A 57 -12.747 -7.073 11.725 1.00 64.32 H new ATOM 0 HA LYS A 57 -13.848 -9.647 11.297 1.00 54.34 H new ATOM 0 HB2 LYS A 57 -13.021 -7.379 9.408 1.00 35.23 H new ATOM 0 HB3 LYS A 57 -13.841 -8.826 8.856 1.00 35.23 H new ATOM 0 HG2 LYS A 57 -15.773 -8.298 10.360 1.00 34.41 H new ATOM 0 HG3 LYS A 57 -14.954 -6.843 10.893 1.00 34.41 H new ATOM 0 HD2 LYS A 57 -14.998 -5.941 8.580 1.00 25.24 H new ATOM 0 HD3 LYS A 57 -15.751 -7.414 8.002 1.00 25.24 H new ATOM 0 HE2 LYS A 57 -17.729 -6.954 9.498 1.00 60.32 H new ATOM 0 HE3 LYS A 57 -16.982 -5.444 9.982 1.00 60.32 H new ATOM 0 HZ1 LYS A 57 -18.534 -5.113 8.173 1.00 1.54 H new ATOM 0 HZ2 LYS A 57 -16.956 -4.745 7.664 1.00 1.54 H new ATOM 0 HZ3 LYS A 57 -17.680 -6.207 7.195 1.00 1.54 H new ATOM 914 N LYS A 58 -10.742 -9.152 10.290 1.00 21.30 N ATOM 915 CA LYS A 58 -9.562 -9.651 9.622 1.00 20.15 C ATOM 916 C LYS A 58 -8.619 -10.384 10.579 1.00 14.34 C ATOM 917 O LYS A 58 -7.399 -10.327 10.463 1.00 13.10 O ATOM 918 CB LYS A 58 -8.842 -8.463 8.947 1.00 64.23 C ATOM 919 CG LYS A 58 -9.651 -7.788 7.825 1.00 22.02 C ATOM 920 CD LYS A 58 -8.904 -6.597 7.193 1.00 34.21 C ATOM 921 CE LYS A 58 -9.578 -5.998 5.953 1.00 44.30 C ATOM 922 NZ LYS A 58 -10.952 -5.568 6.274 1.00 64.11 N ATOM 0 H LYS A 58 -10.590 -8.233 10.706 1.00 21.30 H new ATOM 0 HA LYS A 58 -9.868 -10.382 8.874 1.00 20.15 H new ATOM 0 HB2 LYS A 58 -8.604 -7.718 9.706 1.00 64.23 H new ATOM 0 HB3 LYS A 58 -7.895 -8.813 8.536 1.00 64.23 H new ATOM 0 HG2 LYS A 58 -9.877 -8.523 7.052 1.00 22.02 H new ATOM 0 HG3 LYS A 58 -10.604 -7.443 8.226 1.00 22.02 H new ATOM 0 HD2 LYS A 58 -8.796 -5.814 7.944 1.00 34.21 H new ATOM 0 HD3 LYS A 58 -7.899 -6.920 6.922 1.00 34.21 H new ATOM 0 HE2 LYS A 58 -8.999 -5.148 5.591 1.00 44.30 H new ATOM 0 HE3 LYS A 58 -9.599 -6.735 5.150 1.00 44.30 H new ATOM 0 HZ1 LYS A 58 -11.391 -5.149 5.429 1.00 64.11 H new ATOM 0 HZ2 LYS A 58 -11.510 -6.390 6.582 1.00 64.11 H new ATOM 0 HZ3 LYS A 58 -10.925 -4.862 7.037 1.00 64.11 H new ATOM 936 N LEU A 59 -9.183 -11.156 11.532 1.00 24.12 N ATOM 937 CA LEU A 59 -8.443 -11.951 12.518 1.00 61.23 C ATOM 938 C LEU A 59 -8.101 -13.290 11.928 1.00 62.41 C ATOM 939 O LEU A 59 -7.230 -14.023 12.372 1.00 63.31 O ATOM 940 CB LEU A 59 -9.207 -12.272 13.817 1.00 20.02 C ATOM 941 CG LEU A 59 -9.647 -11.037 14.609 1.00 23.42 C ATOM 942 CD1 LEU A 59 -10.419 -11.442 15.878 1.00 44.44 C ATOM 943 CD2 LEU A 59 -8.652 -9.894 14.792 1.00 4.11 C ATOM 0 H LEU A 59 -10.194 -11.241 11.634 1.00 24.12 H new ATOM 0 HA LEU A 59 -7.582 -11.330 12.765 1.00 61.23 H new ATOM 0 HB2 LEU A 59 -10.088 -12.864 13.570 1.00 20.02 H new ATOM 0 HB3 LEU A 59 -8.575 -12.891 14.453 1.00 20.02 H new ATOM 0 HG LEU A 59 -10.338 -10.531 13.935 1.00 23.42 H new ATOM 0 HD11 LEU A 59 -10.720 -10.547 16.422 1.00 44.44 H new ATOM 0 HD12 LEU A 59 -11.305 -12.012 15.598 1.00 44.44 H new ATOM 0 HD13 LEU A 59 -9.779 -12.055 16.513 1.00 44.44 H new ATOM 0 HD21 LEU A 59 -9.116 -9.097 15.374 1.00 4.11 H new ATOM 0 HD22 LEU A 59 -7.770 -10.260 15.317 1.00 4.11 H new ATOM 0 HD23 LEU A 59 -8.359 -9.507 13.816 1.00 4.11 H new ATOM 955 N GLU A 60 -8.816 -13.593 10.847 1.00 20.05 N ATOM 956 CA GLU A 60 -8.715 -14.776 10.003 1.00 13.33 C ATOM 957 C GLU A 60 -7.337 -14.854 9.383 1.00 40.32 C ATOM 958 O GLU A 60 -6.771 -15.914 9.137 1.00 2.11 O ATOM 959 CB GLU A 60 -9.755 -14.735 8.859 1.00 73.34 C ATOM 960 CG GLU A 60 -11.197 -14.764 9.403 1.00 33.34 C ATOM 961 CD GLU A 60 -12.270 -14.964 8.329 1.00 1.24 C ATOM 962 OE1 GLU A 60 -13.432 -15.241 8.738 1.00 14.15 O ATOM 963 OE2 GLU A 60 -11.953 -14.851 7.119 1.00 75.12 O ATOM 0 H GLU A 60 -9.543 -12.961 10.512 1.00 20.05 H new ATOM 0 HA GLU A 60 -8.902 -15.646 10.633 1.00 13.33 H new ATOM 0 HB2 GLU A 60 -9.608 -13.833 8.265 1.00 73.34 H new ATOM 0 HB3 GLU A 60 -9.599 -15.584 8.194 1.00 73.34 H new ATOM 0 HG2 GLU A 60 -11.280 -15.565 10.137 1.00 33.34 H new ATOM 0 HG3 GLU A 60 -11.394 -13.829 9.928 1.00 33.34 H new ATOM 970 N LEU A 61 -6.827 -13.647 9.109 1.00 23.01 N ATOM 971 CA LEU A 61 -5.551 -13.308 8.520 1.00 55.31 C ATOM 972 C LEU A 61 -4.387 -13.648 9.448 1.00 24.11 C ATOM 973 O LEU A 61 -3.264 -13.875 9.002 1.00 1.14 O ATOM 974 CB LEU A 61 -5.440 -11.807 8.178 1.00 31.41 C ATOM 975 CG LEU A 61 -6.462 -11.185 7.196 1.00 11.35 C ATOM 976 CD1 LEU A 61 -5.763 -10.300 6.160 1.00 2.33 C ATOM 977 CD2 LEU A 61 -7.655 -12.012 6.679 1.00 25.11 C ATOM 0 H LEU A 61 -7.363 -12.806 9.321 1.00 23.01 H new ATOM 0 HA LEU A 61 -5.495 -13.901 7.607 1.00 55.31 H new ATOM 0 HB2 LEU A 61 -5.501 -11.251 9.113 1.00 31.41 H new ATOM 0 HB3 LEU A 61 -4.444 -11.635 7.770 1.00 31.41 H new ATOM 0 HG LEU A 61 -7.060 -10.556 7.855 1.00 11.35 H new ATOM 0 HD11 LEU A 61 -6.505 -9.876 5.483 1.00 2.33 H new ATOM 0 HD12 LEU A 61 -5.233 -9.494 6.668 1.00 2.33 H new ATOM 0 HD13 LEU A 61 -5.052 -10.899 5.590 1.00 2.33 H new ATOM 0 HD21 LEU A 61 -8.255 -11.402 6.003 1.00 25.11 H new ATOM 0 HD22 LEU A 61 -7.286 -12.888 6.146 1.00 25.11 H new ATOM 0 HD23 LEU A 61 -8.269 -12.331 7.521 1.00 25.11 H new ATOM 989 N LEU A 62 -4.642 -13.625 10.776 1.00 73.50 N ATOM 990 CA LEU A 62 -3.683 -13.805 11.850 1.00 33.43 C ATOM 991 C LEU A 62 -3.175 -15.230 11.910 1.00 24.31 C ATOM 992 O LEU A 62 -3.753 -16.171 11.370 1.00 1.24 O ATOM 993 CB LEU A 62 -4.282 -13.441 13.239 1.00 52.41 C ATOM 994 CG LEU A 62 -4.764 -11.979 13.319 1.00 4.43 C ATOM 995 CD1 LEU A 62 -5.552 -11.654 14.601 1.00 15.15 C ATOM 996 CD2 LEU A 62 -3.624 -10.962 13.148 1.00 5.24 C ATOM 0 H LEU A 62 -5.586 -13.470 11.131 1.00 73.50 H new ATOM 0 HA LEU A 62 -2.858 -13.128 11.627 1.00 33.43 H new ATOM 0 HB2 LEU A 62 -5.118 -14.106 13.454 1.00 52.41 H new ATOM 0 HB3 LEU A 62 -3.531 -13.613 14.010 1.00 52.41 H new ATOM 0 HG LEU A 62 -5.447 -11.884 12.475 1.00 4.43 H new ATOM 0 HD11 LEU A 62 -5.857 -10.608 14.585 1.00 15.15 H new ATOM 0 HD12 LEU A 62 -6.436 -12.289 14.656 1.00 15.15 H new ATOM 0 HD13 LEU A 62 -4.921 -11.834 15.471 1.00 15.15 H new ATOM 0 HD21 LEU A 62 -4.026 -9.951 13.214 1.00 5.24 H new ATOM 0 HD22 LEU A 62 -2.883 -11.110 13.934 1.00 5.24 H new ATOM 0 HD23 LEU A 62 -3.154 -11.103 12.175 1.00 5.24 H new ATOM 1008 N ASP A 63 -2.010 -15.419 12.559 1.00 72.02 N ATOM 1009 CA ASP A 63 -1.352 -16.707 12.588 1.00 55.45 C ATOM 1010 C ASP A 63 -2.098 -17.628 13.547 1.00 12.21 C ATOM 1011 O ASP A 63 -2.480 -17.232 14.645 1.00 31.20 O ATOM 1012 CB ASP A 63 0.134 -16.560 13.030 1.00 61.11 C ATOM 1013 CG ASP A 63 0.999 -17.786 12.736 1.00 51.53 C ATOM 1014 OD1 ASP A 63 0.749 -18.844 13.373 1.00 13.42 O ATOM 1015 OD2 ASP A 63 1.921 -17.664 11.893 1.00 13.30 O ATOM 0 H ASP A 63 -1.517 -14.684 13.066 1.00 72.02 H new ATOM 0 HA ASP A 63 -1.363 -17.134 11.585 1.00 55.45 H new ATOM 0 HB2 ASP A 63 0.567 -15.695 12.528 1.00 61.11 H new ATOM 0 HB3 ASP A 63 0.165 -16.356 14.100 1.00 61.11 H new ATOM 1020 N GLN A 64 -2.259 -18.913 13.175 1.00 3.51 N ATOM 1021 CA GLN A 64 -2.921 -19.910 13.987 1.00 3.21 C ATOM 1022 C GLN A 64 -2.255 -20.151 15.339 1.00 44.24 C ATOM 1023 O GLN A 64 -2.920 -20.494 16.315 1.00 13.50 O ATOM 1024 CB GLN A 64 -3.070 -21.227 13.184 1.00 54.32 C ATOM 1025 CG GLN A 64 -3.798 -22.361 13.941 1.00 35.35 C ATOM 1026 CD GLN A 64 -5.221 -21.970 14.369 1.00 5.41 C ATOM 1027 OE1 GLN A 64 -6.116 -21.710 13.560 1.00 31.25 O ATOM 1028 NE2 GLN A 64 -5.441 -21.905 15.708 1.00 73.03 N ATOM 0 H GLN A 64 -1.921 -19.277 12.284 1.00 3.51 H new ATOM 0 HA GLN A 64 -3.909 -19.516 14.227 1.00 3.21 H new ATOM 0 HB2 GLN A 64 -3.612 -21.016 12.262 1.00 54.32 H new ATOM 0 HB3 GLN A 64 -2.078 -21.577 12.897 1.00 54.32 H new ATOM 0 HG2 GLN A 64 -3.844 -23.245 13.305 1.00 35.35 H new ATOM 0 HG3 GLN A 64 -3.219 -22.633 14.824 1.00 35.35 H new ATOM 0 HE21 GLN A 64 -4.688 -22.124 16.360 1.00 73.03 H new ATOM 0 HE22 GLN A 64 -6.360 -21.637 16.062 1.00 73.03 H new ATOM 1037 N ASP A 65 -0.929 -19.919 15.455 1.00 23.10 N ATOM 1038 CA ASP A 65 -0.157 -20.104 16.676 1.00 52.44 C ATOM 1039 C ASP A 65 -0.660 -19.268 17.854 1.00 73.15 C ATOM 1040 O ASP A 65 -0.586 -19.720 18.992 1.00 72.24 O ATOM 1041 CB ASP A 65 1.347 -19.770 16.462 1.00 24.21 C ATOM 1042 CG ASP A 65 2.081 -20.814 15.622 1.00 32.23 C ATOM 1043 OD1 ASP A 65 3.245 -20.515 15.247 1.00 3.35 O ATOM 1044 OD2 ASP A 65 1.511 -21.903 15.357 1.00 21.22 O ATOM 0 H ASP A 65 -0.363 -19.589 14.673 1.00 23.10 H new ATOM 0 HA ASP A 65 -0.285 -21.159 16.920 1.00 52.44 H new ATOM 0 HB2 ASP A 65 1.431 -18.798 15.977 1.00 24.21 H new ATOM 0 HB3 ASP A 65 1.836 -19.685 17.433 1.00 24.21 H new ATOM 1049 N MET A 66 -1.184 -18.035 17.628 1.00 64.32 N ATOM 1050 CA MET A 66 -1.734 -17.232 18.716 1.00 10.25 C ATOM 1051 C MET A 66 -3.147 -17.654 19.091 1.00 64.44 C ATOM 1052 O MET A 66 -3.662 -17.239 20.128 1.00 2.30 O ATOM 1053 CB MET A 66 -1.714 -15.705 18.415 1.00 13.13 C ATOM 1054 CG MET A 66 -2.673 -15.180 17.328 1.00 55.34 C ATOM 1055 SD MET A 66 -2.624 -13.377 17.070 1.00 25.14 S ATOM 1056 CE MET A 66 -0.972 -13.267 16.325 1.00 30.41 C ATOM 0 H MET A 66 -1.230 -17.593 16.710 1.00 64.32 H new ATOM 0 HA MET A 66 -1.074 -17.420 19.563 1.00 10.25 H new ATOM 0 HB2 MET A 66 -1.936 -15.177 19.342 1.00 13.13 H new ATOM 0 HB3 MET A 66 -0.699 -15.432 18.128 1.00 13.13 H new ATOM 0 HG2 MET A 66 -2.437 -15.674 16.386 1.00 55.34 H new ATOM 0 HG3 MET A 66 -3.691 -15.467 17.592 1.00 55.34 H new ATOM 0 HE1 MET A 66 -0.851 -12.293 15.851 1.00 30.41 H new ATOM 0 HE2 MET A 66 -0.215 -13.390 17.099 1.00 30.41 H new ATOM 0 HE3 MET A 66 -0.857 -14.051 15.577 1.00 30.41 H new ATOM 1066 N ASN A 67 -3.770 -18.513 18.248 1.00 13.14 N ATOM 1067 CA ASN A 67 -5.103 -19.090 18.342 1.00 63.41 C ATOM 1068 C ASN A 67 -6.262 -18.099 18.228 1.00 30.12 C ATOM 1069 O ASN A 67 -7.366 -18.399 18.680 1.00 31.12 O ATOM 1070 CB ASN A 67 -5.291 -19.926 19.658 1.00 30.13 C ATOM 1071 CG ASN A 67 -4.400 -21.168 19.834 1.00 54.35 C ATOM 1072 OD1 ASN A 67 -4.385 -21.735 20.930 1.00 13.23 O ATOM 1073 ND2 ASN A 67 -3.653 -21.620 18.798 1.00 70.23 N ATOM 0 H ASN A 67 -3.292 -18.841 17.409 1.00 13.14 H new ATOM 0 HA ASN A 67 -5.151 -19.734 17.464 1.00 63.41 H new ATOM 0 HB2 ASN A 67 -5.119 -19.264 20.507 1.00 30.13 H new ATOM 0 HB3 ASN A 67 -6.332 -20.246 19.709 1.00 30.13 H new ATOM 0 HD21 ASN A 67 -3.063 -22.444 18.916 1.00 70.23 H new ATOM 0 HD22 ASN A 67 -3.680 -21.136 17.900 1.00 70.23 H new ATOM 1080 N LEU A 68 -6.092 -16.903 17.601 1.00 22.41 N ATOM 1081 CA LEU A 68 -7.187 -15.943 17.530 1.00 25.21 C ATOM 1082 C LEU A 68 -8.143 -16.277 16.404 1.00 10.44 C ATOM 1083 O LEU A 68 -7.751 -16.338 15.241 1.00 62.31 O ATOM 1084 CB LEU A 68 -6.703 -14.482 17.311 1.00 72.02 C ATOM 1085 CG LEU A 68 -7.620 -13.358 17.871 1.00 71.35 C ATOM 1086 CD1 LEU A 68 -7.304 -11.957 17.360 1.00 11.52 C ATOM 1087 CD2 LEU A 68 -9.083 -13.668 18.232 1.00 23.55 C ATOM 0 H LEU A 68 -5.226 -16.602 17.154 1.00 22.41 H new ATOM 0 HA LEU A 68 -7.686 -16.013 18.497 1.00 25.21 H new ATOM 0 HB2 LEU A 68 -5.718 -14.377 17.765 1.00 72.02 H new ATOM 0 HB3 LEU A 68 -6.579 -14.320 16.240 1.00 72.02 H new ATOM 0 HG LEU A 68 -7.275 -13.346 18.905 1.00 71.35 H new ATOM 0 HD11 LEU A 68 -7.996 -11.242 17.806 1.00 11.52 H new ATOM 0 HD12 LEU A 68 -6.282 -11.692 17.633 1.00 11.52 H new ATOM 0 HD13 LEU A 68 -7.408 -11.933 16.275 1.00 11.52 H new ATOM 0 HD21 LEU A 68 -9.565 -12.764 18.606 1.00 23.55 H new ATOM 0 HD22 LEU A 68 -9.610 -14.020 17.345 1.00 23.55 H new ATOM 0 HD23 LEU A 68 -9.112 -14.439 19.002 1.00 23.55 H new ATOM 1099 N HIS A 69 -9.442 -16.453 16.723 1.00 34.43 N ATOM 1100 CA HIS A 69 -10.467 -16.488 15.708 1.00 13.21 C ATOM 1101 C HIS A 69 -11.670 -15.768 16.245 1.00 44.21 C ATOM 1102 O HIS A 69 -11.875 -15.678 17.457 1.00 50.23 O ATOM 1103 CB HIS A 69 -10.849 -17.932 15.277 1.00 54.03 C ATOM 1104 CG HIS A 69 -9.761 -18.675 14.538 1.00 12.53 C ATOM 1105 ND1 HIS A 69 -9.610 -18.533 13.186 1.00 23.21 N ATOM 1106 CD2 HIS A 69 -8.814 -19.554 14.947 1.00 0.11 C ATOM 1107 CE1 HIS A 69 -8.621 -19.308 12.782 1.00 50.34 C ATOM 1108 NE2 HIS A 69 -8.123 -19.943 13.827 1.00 4.33 N ATOM 0 H HIS A 69 -9.786 -16.571 17.676 1.00 34.43 H new ATOM 0 HA HIS A 69 -10.082 -16.002 14.812 1.00 13.21 H new ATOM 0 HB2 HIS A 69 -11.122 -18.502 16.165 1.00 54.03 H new ATOM 0 HB3 HIS A 69 -11.735 -17.886 14.643 1.00 54.03 H new ATOM 0 HD2 HIS A 69 -8.637 -19.885 15.960 1.00 0.11 H new ATOM 0 HE1 HIS A 69 -8.276 -19.407 11.763 1.00 50.34 H new ATOM 0 HE2 HIS A 69 -7.353 -20.611 13.805 1.00 4.33 H new ATOM 1117 N HIS A 70 -12.491 -15.192 15.342 1.00 73.54 N ATOM 1118 CA HIS A 70 -13.641 -14.409 15.729 1.00 52.21 C ATOM 1119 C HIS A 70 -14.740 -15.229 16.383 1.00 61.53 C ATOM 1120 O HIS A 70 -15.186 -16.260 15.880 1.00 73.23 O ATOM 1121 CB HIS A 70 -14.189 -13.605 14.518 1.00 63.23 C ATOM 1122 CG HIS A 70 -14.417 -14.415 13.267 1.00 12.32 C ATOM 1123 ND1 HIS A 70 -15.092 -15.603 13.254 1.00 63.30 N ATOM 1124 CD2 HIS A 70 -14.008 -14.183 12.002 1.00 43.44 C ATOM 1125 CE1 HIS A 70 -15.093 -16.081 12.023 1.00 11.01 C ATOM 1126 NE2 HIS A 70 -14.441 -15.236 11.244 1.00 41.22 N ATOM 0 H HIS A 70 -12.360 -15.267 14.333 1.00 73.54 H new ATOM 0 HA HIS A 70 -13.295 -13.711 16.492 1.00 52.21 H new ATOM 0 HB2 HIS A 70 -15.130 -13.138 14.807 1.00 63.23 H new ATOM 0 HB3 HIS A 70 -13.491 -12.800 14.289 1.00 63.23 H new ATOM 0 HD2 HIS A 70 -13.446 -13.329 11.654 1.00 43.44 H new ATOM 0 HE1 HIS A 70 -15.550 -17.007 11.706 1.00 11.01 H new ATOM 0 HE2 HIS A 70 -14.286 -15.350 10.242 1.00 41.22 H new ATOM 1135 N GLY A 71 -15.197 -14.745 17.554 1.00 34.43 N ATOM 1136 CA GLY A 71 -16.199 -15.402 18.386 1.00 2.13 C ATOM 1137 C GLY A 71 -15.639 -16.348 19.423 1.00 43.30 C ATOM 1138 O GLY A 71 -16.370 -16.820 20.288 1.00 23.42 O ATOM 0 H GLY A 71 -14.866 -13.865 17.949 1.00 34.43 H new ATOM 0 HA2 GLY A 71 -16.789 -14.638 18.892 1.00 2.13 H new ATOM 0 HA3 GLY A 71 -16.881 -15.955 17.740 1.00 2.13 H new ATOM 1142 N LYS A 72 -14.322 -16.648 19.384 1.00 31.11 N ATOM 1143 CA LYS A 72 -13.688 -17.682 20.190 1.00 40.10 C ATOM 1144 C LYS A 72 -12.936 -17.086 21.365 1.00 73.45 C ATOM 1145 O LYS A 72 -12.045 -17.716 21.936 1.00 64.13 O ATOM 1146 CB LYS A 72 -12.715 -18.583 19.366 1.00 42.34 C ATOM 1147 CG LYS A 72 -13.369 -19.609 18.412 1.00 35.32 C ATOM 1148 CD LYS A 72 -14.123 -19.031 17.204 1.00 40.25 C ATOM 1149 CE LYS A 72 -14.505 -20.067 16.143 1.00 53.21 C ATOM 1150 NZ LYS A 72 -15.453 -21.053 16.696 1.00 24.53 N ATOM 0 H LYS A 72 -13.667 -16.160 18.773 1.00 31.11 H new ATOM 0 HA LYS A 72 -14.502 -18.308 20.555 1.00 40.10 H new ATOM 0 HB2 LYS A 72 -12.065 -17.935 18.777 1.00 42.34 H new ATOM 0 HB3 LYS A 72 -12.077 -19.124 20.064 1.00 42.34 H new ATOM 0 HG2 LYS A 72 -12.591 -20.277 18.042 1.00 35.32 H new ATOM 0 HG3 LYS A 72 -14.064 -20.219 18.989 1.00 35.32 H new ATOM 0 HD2 LYS A 72 -15.029 -18.540 17.558 1.00 40.25 H new ATOM 0 HD3 LYS A 72 -13.505 -18.263 16.739 1.00 40.25 H new ATOM 0 HE2 LYS A 72 -14.952 -19.567 15.284 1.00 53.21 H new ATOM 0 HE3 LYS A 72 -13.610 -20.576 15.786 1.00 53.21 H new ATOM 0 HZ1 LYS A 72 -15.700 -21.747 15.962 1.00 24.53 H new ATOM 0 HZ2 LYS A 72 -15.014 -21.543 17.502 1.00 24.53 H new ATOM 0 HZ3 LYS A 72 -16.314 -20.565 17.015 1.00 24.53 H new ATOM 1164 N ALA A 73 -13.303 -15.853 21.787 1.00 23.44 N ATOM 1165 CA ALA A 73 -12.586 -15.070 22.773 1.00 42.05 C ATOM 1166 C ALA A 73 -12.408 -15.748 24.095 1.00 71.12 C ATOM 1167 O ALA A 73 -11.314 -15.702 24.635 1.00 71.02 O ATOM 1168 CB ALA A 73 -13.308 -13.760 23.092 1.00 30.11 C ATOM 0 H ALA A 73 -14.132 -15.378 21.430 1.00 23.44 H new ATOM 0 HA ALA A 73 -11.616 -14.913 22.302 1.00 42.05 H new ATOM 0 HB1 ALA A 73 -12.738 -13.202 23.835 1.00 30.11 H new ATOM 0 HB2 ALA A 73 -13.400 -13.165 22.184 1.00 30.11 H new ATOM 0 HB3 ALA A 73 -14.301 -13.978 23.485 1.00 30.11 H new ATOM 1174 N MET A 74 -13.441 -16.419 24.639 1.00 53.24 N ATOM 1175 CA MET A 74 -13.327 -17.042 25.951 1.00 3.14 C ATOM 1176 C MET A 74 -12.242 -18.118 25.990 1.00 70.24 C ATOM 1177 O MET A 74 -11.480 -18.213 26.949 1.00 13.43 O ATOM 1178 CB MET A 74 -14.664 -17.672 26.414 1.00 52.31 C ATOM 1179 CG MET A 74 -15.770 -16.640 26.704 1.00 1.13 C ATOM 1180 SD MET A 74 -17.324 -17.399 27.267 1.00 25.41 S ATOM 1181 CE MET A 74 -18.209 -15.832 27.506 1.00 71.21 C ATOM 0 H MET A 74 -14.349 -16.537 24.189 1.00 53.24 H new ATOM 0 HA MET A 74 -13.053 -16.235 26.631 1.00 3.14 H new ATOM 0 HB2 MET A 74 -15.015 -18.361 25.646 1.00 52.31 H new ATOM 0 HB3 MET A 74 -14.485 -18.261 27.313 1.00 52.31 H new ATOM 0 HG2 MET A 74 -15.417 -15.942 27.463 1.00 1.13 H new ATOM 0 HG3 MET A 74 -15.962 -16.059 25.802 1.00 1.13 H new ATOM 0 HE1 MET A 74 -19.220 -16.035 27.860 1.00 71.21 H new ATOM 0 HE2 MET A 74 -17.682 -15.225 28.242 1.00 71.21 H new ATOM 0 HE3 MET A 74 -18.258 -15.294 26.559 1.00 71.21 H new ATOM 1191 N GLU A 75 -12.138 -18.934 24.917 1.00 70.04 N ATOM 1192 CA GLU A 75 -11.101 -19.948 24.773 1.00 62.55 C ATOM 1193 C GLU A 75 -9.732 -19.351 24.468 1.00 53.14 C ATOM 1194 O GLU A 75 -8.726 -19.712 25.076 1.00 21.14 O ATOM 1195 CB GLU A 75 -11.470 -20.956 23.651 1.00 35.21 C ATOM 1196 CG GLU A 75 -12.706 -21.841 23.963 1.00 63.45 C ATOM 1197 CD GLU A 75 -12.478 -22.814 25.122 1.00 73.15 C ATOM 1198 OE1 GLU A 75 -11.579 -23.684 24.992 1.00 12.20 O ATOM 1199 OE2 GLU A 75 -13.222 -22.705 26.131 1.00 33.51 O ATOM 0 H GLU A 75 -12.783 -18.897 24.127 1.00 70.04 H new ATOM 0 HA GLU A 75 -11.041 -20.459 25.734 1.00 62.55 H new ATOM 0 HB2 GLU A 75 -11.658 -20.403 22.731 1.00 35.21 H new ATOM 0 HB3 GLU A 75 -10.613 -21.603 23.465 1.00 35.21 H new ATOM 0 HG2 GLU A 75 -13.554 -21.198 24.199 1.00 63.45 H new ATOM 0 HG3 GLU A 75 -12.974 -22.407 23.070 1.00 63.45 H new ATOM 1206 N PHE A 76 -9.689 -18.373 23.536 1.00 4.20 N ATOM 1207 CA PHE A 76 -8.519 -17.612 23.130 1.00 54.14 C ATOM 1208 C PHE A 76 -7.886 -16.832 24.266 1.00 41.12 C ATOM 1209 O PHE A 76 -6.678 -16.885 24.477 1.00 75.33 O ATOM 1210 CB PHE A 76 -8.944 -16.668 21.965 1.00 5.43 C ATOM 1211 CG PHE A 76 -7.913 -15.634 21.604 1.00 53.13 C ATOM 1212 CD1 PHE A 76 -6.727 -15.951 20.933 1.00 32.23 C ATOM 1213 CD2 PHE A 76 -8.110 -14.318 22.051 1.00 71.52 C ATOM 1214 CE1 PHE A 76 -5.785 -14.953 20.651 1.00 30.33 C ATOM 1215 CE2 PHE A 76 -7.127 -13.351 21.858 1.00 24.35 C ATOM 1216 CZ PHE A 76 -5.974 -13.655 21.130 1.00 63.44 C ATOM 0 H PHE A 76 -10.526 -18.089 23.026 1.00 4.20 H new ATOM 0 HA PHE A 76 -7.748 -18.309 22.802 1.00 54.14 H new ATOM 0 HB2 PHE A 76 -9.161 -17.272 21.084 1.00 5.43 H new ATOM 0 HB3 PHE A 76 -9.869 -16.162 22.241 1.00 5.43 H new ATOM 0 HD1 PHE A 76 -6.537 -16.970 20.631 1.00 32.23 H new ATOM 0 HD2 PHE A 76 -9.031 -14.053 22.549 1.00 71.52 H new ATOM 0 HE1 PHE A 76 -4.911 -15.188 20.062 1.00 30.33 H new ATOM 0 HE2 PHE A 76 -7.256 -12.362 22.273 1.00 24.35 H new ATOM 0 HZ PHE A 76 -5.234 -12.892 20.939 1.00 63.44 H new ATOM 1226 N ALA A 77 -8.694 -16.104 25.051 1.00 21.41 N ATOM 1227 CA ALA A 77 -8.234 -15.275 26.132 1.00 63.34 C ATOM 1228 C ALA A 77 -7.500 -16.055 27.210 1.00 31.53 C ATOM 1229 O ALA A 77 -6.457 -15.630 27.706 1.00 1.44 O ATOM 1230 CB ALA A 77 -9.465 -14.574 26.691 1.00 75.31 C ATOM 0 H ALA A 77 -9.707 -16.087 24.934 1.00 21.41 H new ATOM 0 HA ALA A 77 -7.500 -14.559 25.763 1.00 63.34 H new ATOM 0 HB1 ALA A 77 -9.172 -13.928 27.519 1.00 75.31 H new ATOM 0 HB2 ALA A 77 -9.928 -13.973 25.909 1.00 75.31 H new ATOM 0 HB3 ALA A 77 -10.178 -15.318 27.046 1.00 75.31 H new ATOM 1236 N MET A 78 -8.021 -17.256 27.550 1.00 42.00 N ATOM 1237 CA MET A 78 -7.407 -18.190 28.471 1.00 13.32 C ATOM 1238 C MET A 78 -6.062 -18.723 27.994 1.00 50.20 C ATOM 1239 O MET A 78 -5.133 -18.865 28.788 1.00 14.32 O ATOM 1240 CB MET A 78 -8.387 -19.337 28.816 1.00 12.13 C ATOM 1241 CG MET A 78 -9.579 -18.843 29.672 1.00 1.32 C ATOM 1242 SD MET A 78 -10.811 -20.128 30.055 1.00 45.33 S ATOM 1243 CE MET A 78 -9.780 -21.130 31.165 1.00 52.44 C ATOM 0 H MET A 78 -8.905 -17.595 27.171 1.00 42.00 H new ATOM 0 HA MET A 78 -7.189 -17.631 29.381 1.00 13.32 H new ATOM 0 HB2 MET A 78 -8.762 -19.783 27.895 1.00 12.13 H new ATOM 0 HB3 MET A 78 -7.854 -20.120 29.355 1.00 12.13 H new ATOM 0 HG2 MET A 78 -9.195 -18.434 30.607 1.00 1.32 H new ATOM 0 HG3 MET A 78 -10.074 -18.026 29.147 1.00 1.32 H new ATOM 0 HE1 MET A 78 -10.414 -21.808 31.737 1.00 52.44 H new ATOM 0 HE2 MET A 78 -9.068 -21.708 30.577 1.00 52.44 H new ATOM 0 HE3 MET A 78 -9.239 -20.476 31.849 1.00 52.44 H new ATOM 1253 N LYS A 79 -5.890 -18.967 26.671 1.00 15.40 N ATOM 1254 CA LYS A 79 -4.605 -19.330 26.073 1.00 24.34 C ATOM 1255 C LYS A 79 -3.545 -18.239 26.255 1.00 20.53 C ATOM 1256 O LYS A 79 -2.351 -18.520 26.326 1.00 72.12 O ATOM 1257 CB LYS A 79 -4.749 -19.627 24.555 1.00 64.34 C ATOM 1258 CG LYS A 79 -5.545 -20.903 24.222 1.00 2.24 C ATOM 1259 CD LYS A 79 -4.774 -22.202 24.508 1.00 63.13 C ATOM 1260 CE LYS A 79 -5.603 -23.458 24.236 1.00 2.32 C ATOM 1261 NZ LYS A 79 -4.779 -24.658 24.479 1.00 43.05 N ATOM 0 H LYS A 79 -6.652 -18.914 25.995 1.00 15.40 H new ATOM 0 HA LYS A 79 -4.279 -20.228 26.598 1.00 24.34 H new ATOM 0 HB2 LYS A 79 -5.235 -18.777 24.077 1.00 64.34 H new ATOM 0 HB3 LYS A 79 -3.754 -19.712 24.119 1.00 64.34 H new ATOM 0 HG2 LYS A 79 -6.470 -20.905 24.799 1.00 2.24 H new ATOM 0 HG3 LYS A 79 -5.826 -20.881 23.169 1.00 2.24 H new ATOM 0 HD2 LYS A 79 -3.874 -22.227 23.894 1.00 63.13 H new ATOM 0 HD3 LYS A 79 -4.450 -22.205 25.549 1.00 63.13 H new ATOM 0 HE2 LYS A 79 -6.482 -23.472 24.880 1.00 2.32 H new ATOM 0 HE3 LYS A 79 -5.962 -23.453 23.207 1.00 2.32 H new ATOM 0 HZ1 LYS A 79 -5.345 -25.511 24.293 1.00 43.05 H new ATOM 0 HZ2 LYS A 79 -3.953 -24.646 23.847 1.00 43.05 H new ATOM 0 HZ3 LYS A 79 -4.458 -24.664 25.468 1.00 43.05 H new ATOM 1275 N HIS A 80 -3.978 -16.965 26.369 1.00 11.21 N ATOM 1276 CA HIS A 80 -3.140 -15.802 26.594 1.00 32.44 C ATOM 1277 C HIS A 80 -2.992 -15.405 28.047 1.00 23.43 C ATOM 1278 O HIS A 80 -2.474 -14.332 28.353 1.00 70.33 O ATOM 1279 CB HIS A 80 -3.651 -14.619 25.754 1.00 73.14 C ATOM 1280 CG HIS A 80 -3.340 -14.858 24.301 1.00 63.43 C ATOM 1281 ND1 HIS A 80 -2.067 -14.702 23.821 1.00 63.22 N ATOM 1282 CD2 HIS A 80 -4.041 -15.500 23.341 1.00 31.51 C ATOM 1283 CE1 HIS A 80 -1.998 -15.233 22.613 1.00 71.13 C ATOM 1284 NE2 HIS A 80 -3.179 -15.730 22.303 1.00 74.24 N ATOM 0 H HIS A 80 -4.967 -16.725 26.301 1.00 11.21 H new ATOM 0 HA HIS A 80 -2.137 -16.086 26.274 1.00 32.44 H new ATOM 0 HB2 HIS A 80 -4.726 -14.500 25.891 1.00 73.14 H new ATOM 0 HB3 HIS A 80 -3.183 -13.693 26.089 1.00 73.14 H new ATOM 0 HD2 HIS A 80 -5.083 -15.779 23.384 1.00 31.51 H new ATOM 0 HE1 HIS A 80 -1.120 -15.256 21.984 1.00 71.13 H new ATOM 0 HE2 HIS A 80 -3.412 -16.208 21.432 1.00 74.24 H new ATOM 1293 N GLY A 81 -3.387 -16.281 28.995 1.00 15.15 N ATOM 1294 CA GLY A 81 -3.046 -16.103 30.399 1.00 4.14 C ATOM 1295 C GLY A 81 -4.101 -15.413 31.206 1.00 2.12 C ATOM 1296 O GLY A 81 -3.936 -15.228 32.409 1.00 22.43 O ATOM 0 H GLY A 81 -3.942 -17.115 28.801 1.00 15.15 H new ATOM 0 HA2 GLY A 81 -2.849 -17.080 30.840 1.00 4.14 H new ATOM 0 HA3 GLY A 81 -2.121 -15.531 30.466 1.00 4.14 H new ATOM 1300 N ALA A 82 -5.243 -15.046 30.589 1.00 34.20 N ATOM 1301 CA ALA A 82 -6.428 -14.702 31.358 1.00 23.53 C ATOM 1302 C ALA A 82 -6.990 -15.925 32.094 1.00 40.12 C ATOM 1303 O ALA A 82 -6.996 -17.039 31.578 1.00 14.35 O ATOM 1304 CB ALA A 82 -7.529 -14.117 30.449 1.00 55.21 C ATOM 0 H ALA A 82 -5.357 -14.985 29.577 1.00 34.20 H new ATOM 0 HA ALA A 82 -6.125 -13.952 32.089 1.00 23.53 H new ATOM 0 HB1 ALA A 82 -8.404 -13.869 31.050 1.00 55.21 H new ATOM 0 HB2 ALA A 82 -7.157 -13.216 29.960 1.00 55.21 H new ATOM 0 HB3 ALA A 82 -7.805 -14.852 29.693 1.00 55.21 H new ATOM 1310 N ASP A 83 -7.501 -15.766 33.338 1.00 72.51 N ATOM 1311 CA ASP A 83 -8.264 -16.832 33.970 1.00 54.13 C ATOM 1312 C ASP A 83 -9.692 -16.757 33.445 1.00 60.22 C ATOM 1313 O ASP A 83 -10.077 -15.787 32.797 1.00 12.41 O ATOM 1314 CB ASP A 83 -8.285 -16.727 35.515 1.00 60.32 C ATOM 1315 CG ASP A 83 -6.873 -16.844 36.079 1.00 74.12 C ATOM 1316 OD1 ASP A 83 -6.236 -17.904 35.852 1.00 2.40 O ATOM 1317 OD2 ASP A 83 -6.439 -15.875 36.753 1.00 34.24 O ATOM 0 H ASP A 83 -7.394 -14.923 33.902 1.00 72.51 H new ATOM 0 HA ASP A 83 -7.787 -17.781 33.726 1.00 54.13 H new ATOM 0 HB2 ASP A 83 -8.725 -15.776 35.814 1.00 60.32 H new ATOM 0 HB3 ASP A 83 -8.915 -17.514 35.930 1.00 60.32 H new ATOM 1322 N GLU A 84 -10.534 -17.777 33.721 1.00 50.01 N ATOM 1323 CA GLU A 84 -11.875 -17.863 33.149 1.00 53.30 C ATOM 1324 C GLU A 84 -12.787 -16.736 33.612 1.00 70.12 C ATOM 1325 O GLU A 84 -13.603 -16.215 32.855 1.00 54.54 O ATOM 1326 CB GLU A 84 -12.532 -19.249 33.414 1.00 53.42 C ATOM 1327 CG GLU A 84 -12.807 -19.599 34.895 1.00 65.42 C ATOM 1328 CD GLU A 84 -13.405 -21.000 35.058 1.00 4.03 C ATOM 1329 OE1 GLU A 84 -14.537 -21.221 34.559 1.00 31.30 O ATOM 1330 OE2 GLU A 84 -12.728 -21.847 35.695 1.00 24.52 O ATOM 0 H GLU A 84 -10.297 -18.551 34.341 1.00 50.01 H new ATOM 0 HA GLU A 84 -11.747 -17.750 32.072 1.00 53.30 H new ATOM 0 HB2 GLU A 84 -13.476 -19.291 32.871 1.00 53.42 H new ATOM 0 HB3 GLU A 84 -11.887 -20.021 32.993 1.00 53.42 H new ATOM 0 HG2 GLU A 84 -11.877 -19.535 35.460 1.00 65.42 H new ATOM 0 HG3 GLU A 84 -13.490 -18.863 35.320 1.00 65.42 H new ATOM 1337 N ALA A 85 -12.595 -16.306 34.876 1.00 5.21 N ATOM 1338 CA ALA A 85 -13.227 -15.170 35.505 1.00 4.42 C ATOM 1339 C ALA A 85 -12.822 -13.853 34.861 1.00 13.32 C ATOM 1340 O ALA A 85 -13.639 -12.973 34.601 1.00 22.12 O ATOM 1341 CB ALA A 85 -12.856 -15.167 37.000 1.00 54.40 C ATOM 0 H ALA A 85 -11.952 -16.784 35.507 1.00 5.21 H new ATOM 0 HA ALA A 85 -14.306 -15.263 35.378 1.00 4.42 H new ATOM 0 HB1 ALA A 85 -13.326 -14.314 37.490 1.00 54.40 H new ATOM 0 HB2 ALA A 85 -13.205 -16.090 37.463 1.00 54.40 H new ATOM 0 HB3 ALA A 85 -11.774 -15.095 37.106 1.00 54.40 H new ATOM 1347 N MET A 86 -11.513 -13.697 34.572 1.00 63.12 N ATOM 1348 CA MET A 86 -10.961 -12.512 33.961 1.00 55.42 C ATOM 1349 C MET A 86 -11.322 -12.405 32.492 1.00 33.33 C ATOM 1350 O MET A 86 -11.550 -11.315 31.972 1.00 34.12 O ATOM 1351 CB MET A 86 -9.430 -12.463 34.109 1.00 15.14 C ATOM 1352 CG MET A 86 -8.939 -12.454 35.572 1.00 33.53 C ATOM 1353 SD MET A 86 -9.684 -11.200 36.652 1.00 35.54 S ATOM 1354 CE MET A 86 -8.576 -11.531 38.051 1.00 55.12 C ATOM 0 H MET A 86 -10.814 -14.414 34.768 1.00 63.12 H new ATOM 0 HA MET A 86 -11.401 -11.666 34.489 1.00 55.42 H new ATOM 0 HB2 MET A 86 -8.998 -13.323 33.597 1.00 15.14 H new ATOM 0 HB3 MET A 86 -9.055 -11.572 33.606 1.00 15.14 H new ATOM 0 HG2 MET A 86 -9.129 -13.436 36.004 1.00 33.53 H new ATOM 0 HG3 MET A 86 -7.859 -12.309 35.571 1.00 33.53 H new ATOM 0 HE1 MET A 86 -8.829 -10.870 38.880 1.00 55.12 H new ATOM 0 HE2 MET A 86 -8.689 -12.568 38.367 1.00 55.12 H new ATOM 0 HE3 MET A 86 -7.544 -11.354 37.748 1.00 55.12 H new ATOM 1364 N ALA A 87 -11.386 -13.553 31.786 1.00 11.41 N ATOM 1365 CA ALA A 87 -11.808 -13.628 30.403 1.00 74.43 C ATOM 1366 C ALA A 87 -13.232 -13.122 30.188 1.00 24.00 C ATOM 1367 O ALA A 87 -13.499 -12.273 29.338 1.00 73.21 O ATOM 1368 CB ALA A 87 -11.715 -15.096 29.931 1.00 34.20 C ATOM 0 H ALA A 87 -11.138 -14.460 32.182 1.00 11.41 H new ATOM 0 HA ALA A 87 -11.147 -12.983 29.824 1.00 74.43 H new ATOM 0 HB1 ALA A 87 -12.031 -15.164 28.890 1.00 34.20 H new ATOM 0 HB2 ALA A 87 -10.686 -15.443 30.021 1.00 34.20 H new ATOM 0 HB3 ALA A 87 -12.363 -15.718 30.548 1.00 34.20 H new ATOM 1374 N LYS A 88 -14.183 -13.578 31.032 1.00 54.43 N ATOM 1375 CA LYS A 88 -15.562 -13.122 30.994 1.00 11.22 C ATOM 1376 C LYS A 88 -15.707 -11.683 31.447 1.00 54.25 C ATOM 1377 O LYS A 88 -16.583 -10.967 30.972 1.00 10.40 O ATOM 1378 CB LYS A 88 -16.537 -14.038 31.788 1.00 33.40 C ATOM 1379 CG LYS A 88 -16.330 -14.105 33.309 1.00 43.12 C ATOM 1380 CD LYS A 88 -17.354 -15.003 34.026 1.00 63.32 C ATOM 1381 CE LYS A 88 -18.734 -14.357 34.143 1.00 1.45 C ATOM 1382 NZ LYS A 88 -19.674 -15.298 34.781 1.00 25.30 N ATOM 0 H LYS A 88 -14.001 -14.274 31.755 1.00 54.43 H new ATOM 0 HA LYS A 88 -15.847 -13.181 29.944 1.00 11.22 H new ATOM 0 HB2 LYS A 88 -17.555 -13.699 31.597 1.00 33.40 H new ATOM 0 HB3 LYS A 88 -16.457 -15.049 31.388 1.00 33.40 H new ATOM 0 HG2 LYS A 88 -15.326 -14.475 33.516 1.00 43.12 H new ATOM 0 HG3 LYS A 88 -16.390 -13.098 33.721 1.00 43.12 H new ATOM 0 HD2 LYS A 88 -17.444 -15.945 33.486 1.00 63.32 H new ATOM 0 HD3 LYS A 88 -16.985 -15.242 35.023 1.00 63.32 H new ATOM 0 HE2 LYS A 88 -18.668 -13.441 34.730 1.00 1.45 H new ATOM 0 HE3 LYS A 88 -19.100 -14.077 33.155 1.00 1.45 H new ATOM 0 HZ1 LYS A 88 -20.611 -14.854 34.858 1.00 25.30 H new ATOM 0 HZ2 LYS A 88 -19.746 -16.161 34.205 1.00 25.30 H new ATOM 0 HZ3 LYS A 88 -19.328 -15.544 35.731 1.00 25.30 H new ATOM 1396 N GLN A 89 -14.805 -11.195 32.328 1.00 21.12 N ATOM 1397 CA GLN A 89 -14.699 -9.799 32.685 1.00 11.23 C ATOM 1398 C GLN A 89 -14.377 -8.867 31.536 1.00 51.05 C ATOM 1399 O GLN A 89 -15.011 -7.820 31.440 1.00 20.34 O ATOM 1400 CB GLN A 89 -13.699 -9.580 33.845 1.00 43.22 C ATOM 1401 CG GLN A 89 -13.508 -8.095 34.219 1.00 71.51 C ATOM 1402 CD GLN A 89 -12.853 -7.904 35.585 1.00 12.30 C ATOM 1403 OE1 GLN A 89 -13.401 -7.255 36.478 1.00 3.03 O ATOM 1404 NE2 GLN A 89 -11.644 -8.491 35.759 1.00 62.03 N ATOM 0 H GLN A 89 -14.127 -11.787 32.808 1.00 21.12 H new ATOM 0 HA GLN A 89 -15.704 -9.532 33.013 1.00 11.23 H new ATOM 0 HB2 GLN A 89 -14.047 -10.126 34.722 1.00 43.22 H new ATOM 0 HB3 GLN A 89 -12.734 -10.004 33.568 1.00 43.22 H new ATOM 0 HG2 GLN A 89 -12.897 -7.610 33.458 1.00 71.51 H new ATOM 0 HG3 GLN A 89 -14.478 -7.597 34.214 1.00 71.51 H new ATOM 0 HE21 GLN A 89 -11.220 -9.021 34.998 1.00 62.03 H new ATOM 0 HE22 GLN A 89 -11.158 -8.403 36.651 1.00 62.03 H new ATOM 1413 N LEU A 90 -13.449 -9.184 30.598 1.00 33.12 N ATOM 1414 CA LEU A 90 -13.205 -8.332 29.468 1.00 44.01 C ATOM 1415 C LEU A 90 -14.418 -8.204 28.558 1.00 13.21 C ATOM 1416 O LEU A 90 -14.774 -7.116 28.106 1.00 34.32 O ATOM 1417 CB LEU A 90 -11.991 -8.862 28.687 1.00 52.01 C ATOM 1418 CG LEU A 90 -10.602 -8.796 29.370 1.00 61.11 C ATOM 1419 CD1 LEU A 90 -9.490 -9.215 28.381 1.00 65.35 C ATOM 1420 CD2 LEU A 90 -10.261 -7.448 30.032 1.00 21.45 C ATOM 0 H LEU A 90 -12.873 -10.026 30.625 1.00 33.12 H new ATOM 0 HA LEU A 90 -12.997 -7.330 29.842 1.00 44.01 H new ATOM 0 HB2 LEU A 90 -12.188 -9.903 28.430 1.00 52.01 H new ATOM 0 HB3 LEU A 90 -11.929 -8.309 27.750 1.00 52.01 H new ATOM 0 HG LEU A 90 -10.658 -9.507 30.194 1.00 61.11 H new ATOM 0 HD11 LEU A 90 -8.522 -9.162 28.879 1.00 65.35 H new ATOM 0 HD12 LEU A 90 -9.669 -10.236 28.043 1.00 65.35 H new ATOM 0 HD13 LEU A 90 -9.494 -8.543 27.523 1.00 65.35 H new ATOM 0 HD21 LEU A 90 -9.270 -7.504 30.481 1.00 21.45 H new ATOM 0 HD22 LEU A 90 -10.275 -6.659 29.280 1.00 21.45 H new ATOM 0 HD23 LEU A 90 -10.997 -7.225 30.804 1.00 21.45 H new ATOM 1432 N LEU A 91 -15.123 -9.326 28.320 1.00 43.25 N ATOM 1433 CA LEU A 91 -16.385 -9.346 27.609 1.00 34.41 C ATOM 1434 C LEU A 91 -17.479 -8.575 28.367 1.00 54.21 C ATOM 1435 O LEU A 91 -18.237 -7.812 27.772 1.00 44.20 O ATOM 1436 CB LEU A 91 -16.762 -10.826 27.337 1.00 1.23 C ATOM 1437 CG LEU A 91 -15.810 -11.524 26.330 1.00 10.12 C ATOM 1438 CD1 LEU A 91 -15.639 -13.016 26.629 1.00 73.14 C ATOM 1439 CD2 LEU A 91 -16.313 -11.384 24.893 1.00 61.42 C ATOM 0 H LEU A 91 -14.815 -10.249 28.626 1.00 43.25 H new ATOM 0 HA LEU A 91 -16.287 -8.828 26.655 1.00 34.41 H new ATOM 0 HB2 LEU A 91 -16.751 -11.376 28.278 1.00 1.23 H new ATOM 0 HB3 LEU A 91 -17.781 -10.870 26.954 1.00 1.23 H new ATOM 0 HG LEU A 91 -14.848 -11.023 26.441 1.00 10.12 H new ATOM 0 HD11 LEU A 91 -14.964 -13.459 25.897 1.00 73.14 H new ATOM 0 HD12 LEU A 91 -15.223 -13.141 27.629 1.00 73.14 H new ATOM 0 HD13 LEU A 91 -16.608 -13.511 26.575 1.00 73.14 H new ATOM 0 HD21 LEU A 91 -15.622 -11.885 24.215 1.00 61.42 H new ATOM 0 HD22 LEU A 91 -17.300 -11.839 24.807 1.00 61.42 H new ATOM 0 HD23 LEU A 91 -16.377 -10.328 24.631 1.00 61.42 H new ATOM 1451 N ASP A 92 -17.553 -8.709 29.717 1.00 10.21 N ATOM 1452 CA ASP A 92 -18.469 -7.974 30.578 1.00 4.32 C ATOM 1453 C ASP A 92 -18.201 -6.466 30.560 1.00 61.44 C ATOM 1454 O ASP A 92 -19.144 -5.689 30.453 1.00 70.20 O ATOM 1455 CB ASP A 92 -18.402 -8.538 32.027 1.00 23.32 C ATOM 1456 CG ASP A 92 -19.480 -7.979 32.954 1.00 24.31 C ATOM 1457 OD1 ASP A 92 -20.681 -8.183 32.644 1.00 24.22 O ATOM 1458 OD2 ASP A 92 -19.103 -7.367 33.986 1.00 74.52 O ATOM 0 H ASP A 92 -16.954 -9.353 30.234 1.00 10.21 H new ATOM 0 HA ASP A 92 -19.477 -8.114 30.188 1.00 4.32 H new ATOM 0 HB2 ASP A 92 -18.495 -9.623 31.990 1.00 23.32 H new ATOM 0 HB3 ASP A 92 -17.422 -8.316 32.449 1.00 23.32 H new ATOM 1463 N ILE A 93 -16.916 -6.019 30.604 1.00 52.52 N ATOM 1464 CA ILE A 93 -16.526 -4.608 30.503 1.00 1.20 C ATOM 1465 C ILE A 93 -16.999 -4.025 29.199 1.00 40.13 C ATOM 1466 O ILE A 93 -17.568 -2.937 29.180 1.00 31.11 O ATOM 1467 CB ILE A 93 -15.011 -4.369 30.554 1.00 61.44 C ATOM 1468 CG1 ILE A 93 -14.393 -4.640 31.942 1.00 35.14 C ATOM 1469 CG2 ILE A 93 -14.638 -2.935 30.103 1.00 32.04 C ATOM 1470 CD1 ILE A 93 -12.853 -4.718 31.946 1.00 62.31 C ATOM 0 H ILE A 93 -16.120 -6.647 30.712 1.00 52.52 H new ATOM 0 HA ILE A 93 -16.987 -4.134 31.369 1.00 1.20 H new ATOM 0 HB ILE A 93 -14.590 -5.092 29.855 1.00 61.44 H new ATOM 0 HG12 ILE A 93 -14.707 -3.852 32.627 1.00 35.14 H new ATOM 0 HG13 ILE A 93 -14.794 -5.577 32.329 1.00 35.14 H new ATOM 0 HG21 ILE A 93 -13.557 -2.807 30.154 1.00 32.04 H new ATOM 0 HG22 ILE A 93 -14.974 -2.777 29.078 1.00 32.04 H new ATOM 0 HG23 ILE A 93 -15.120 -2.210 30.759 1.00 32.04 H new ATOM 0 HD11 ILE A 93 -12.501 -4.911 32.959 1.00 62.31 H new ATOM 0 HD12 ILE A 93 -12.528 -5.525 31.289 1.00 62.31 H new ATOM 0 HD13 ILE A 93 -12.440 -3.773 31.592 1.00 62.31 H new ATOM 1482 N LYS A 94 -16.815 -4.752 28.074 1.00 11.22 N ATOM 1483 CA LYS A 94 -17.216 -4.281 26.770 1.00 14.34 C ATOM 1484 C LYS A 94 -18.682 -3.981 26.710 1.00 42.00 C ATOM 1485 O LYS A 94 -19.086 -2.847 26.484 1.00 45.13 O ATOM 1486 CB LYS A 94 -16.918 -5.376 25.708 1.00 35.31 C ATOM 1487 CG LYS A 94 -17.499 -5.037 24.334 1.00 61.53 C ATOM 1488 CD LYS A 94 -17.313 -6.061 23.211 1.00 70.40 C ATOM 1489 CE LYS A 94 -18.195 -5.576 22.069 1.00 62.54 C ATOM 1490 NZ LYS A 94 -17.709 -6.006 20.752 1.00 33.20 N ATOM 0 H LYS A 94 -16.384 -5.676 28.066 1.00 11.22 H new ATOM 0 HA LYS A 94 -16.656 -3.367 26.572 1.00 14.34 H new ATOM 0 HB2 LYS A 94 -15.840 -5.507 25.620 1.00 35.31 H new ATOM 0 HB3 LYS A 94 -17.328 -6.327 26.047 1.00 35.31 H new ATOM 0 HG2 LYS A 94 -18.568 -4.863 24.456 1.00 61.53 H new ATOM 0 HG3 LYS A 94 -17.058 -4.096 24.006 1.00 61.53 H new ATOM 0 HD2 LYS A 94 -16.269 -6.120 22.903 1.00 70.40 H new ATOM 0 HD3 LYS A 94 -17.606 -7.059 23.537 1.00 70.40 H new ATOM 0 HE2 LYS A 94 -19.209 -5.948 22.216 1.00 62.54 H new ATOM 0 HE3 LYS A 94 -18.248 -4.488 22.094 1.00 62.54 H new ATOM 0 HZ1 LYS A 94 -18.144 -5.418 20.013 1.00 33.20 H new ATOM 0 HZ2 LYS A 94 -16.675 -5.903 20.713 1.00 33.20 H new ATOM 0 HZ3 LYS A 94 -17.964 -7.002 20.596 1.00 33.20 H new ATOM 1504 N HIS A 95 -19.525 -4.967 27.025 1.00 3.40 N ATOM 1505 CA HIS A 95 -20.949 -4.853 26.902 1.00 44.25 C ATOM 1506 C HIS A 95 -21.503 -3.867 27.921 1.00 40.34 C ATOM 1507 O HIS A 95 -22.488 -3.179 27.660 1.00 3.13 O ATOM 1508 CB HIS A 95 -21.578 -6.255 26.996 1.00 43.34 C ATOM 1509 CG HIS A 95 -21.214 -7.101 25.796 1.00 74.54 C ATOM 1510 ND1 HIS A 95 -21.622 -6.774 24.532 1.00 44.34 N ATOM 1511 CD2 HIS A 95 -20.395 -8.172 25.672 1.00 10.54 C ATOM 1512 CE1 HIS A 95 -21.073 -7.611 23.673 1.00 0.02 C ATOM 1513 NE2 HIS A 95 -20.320 -8.465 24.335 1.00 44.44 N ATOM 0 H HIS A 95 -19.216 -5.873 27.376 1.00 3.40 H new ATOM 0 HA HIS A 95 -21.213 -4.444 25.927 1.00 44.25 H new ATOM 0 HB2 HIS A 95 -21.239 -6.748 27.907 1.00 43.34 H new ATOM 0 HB3 HIS A 95 -22.662 -6.166 27.066 1.00 43.34 H new ATOM 0 HD1 HIS A 95 -22.250 -6.007 24.292 1.00 44.34 H new ATOM 0 HD2 HIS A 95 -19.896 -8.696 26.474 1.00 10.54 H new ATOM 0 HE1 HIS A 95 -21.217 -7.598 22.603 1.00 0.02 H new ATOM 1522 N SER A 96 -20.828 -3.732 29.093 1.00 44.32 N ATOM 1523 CA SER A 96 -21.134 -2.722 30.103 1.00 35.31 C ATOM 1524 C SER A 96 -20.853 -1.307 29.641 1.00 74.31 C ATOM 1525 O SER A 96 -21.565 -0.361 29.949 1.00 74.10 O ATOM 1526 CB SER A 96 -20.327 -2.980 31.395 1.00 13.13 C ATOM 1527 OG SER A 96 -20.716 -2.138 32.482 1.00 15.42 O ATOM 0 H SER A 96 -20.048 -4.337 29.352 1.00 44.32 H new ATOM 0 HA SER A 96 -22.204 -2.810 30.290 1.00 35.31 H new ATOM 0 HB2 SER A 96 -20.450 -4.022 31.690 1.00 13.13 H new ATOM 0 HB3 SER A 96 -19.267 -2.830 31.189 1.00 13.13 H new ATOM 0 HG SER A 96 -20.172 -2.349 33.270 1.00 15.42 H new ATOM 1533 N CYS A 97 -19.741 -1.124 28.924 1.00 43.34 N ATOM 1534 CA CYS A 97 -19.362 0.099 28.262 1.00 1.31 C ATOM 1535 C CYS A 97 -20.238 0.473 27.091 1.00 31.32 C ATOM 1536 O CYS A 97 -20.495 1.653 26.869 1.00 65.24 O ATOM 1537 CB CYS A 97 -17.877 0.084 27.860 1.00 63.41 C ATOM 1538 SG CYS A 97 -16.732 0.498 29.200 1.00 34.22 S ATOM 0 H CYS A 97 -19.057 -1.869 28.791 1.00 43.34 H new ATOM 0 HA CYS A 97 -19.518 0.882 29.004 1.00 1.31 H new ATOM 0 HB2 CYS A 97 -17.627 -0.906 27.478 1.00 63.41 H new ATOM 0 HB3 CYS A 97 -17.728 0.788 27.041 1.00 63.41 H new ATOM 1543 N GLU A 98 -20.749 -0.510 26.316 1.00 62.50 N ATOM 1544 CA GLU A 98 -21.500 -0.282 25.086 1.00 71.43 C ATOM 1545 C GLU A 98 -22.753 0.531 25.347 1.00 41.22 C ATOM 1546 O GLU A 98 -23.216 1.286 24.500 1.00 42.43 O ATOM 1547 CB GLU A 98 -21.993 -1.581 24.394 1.00 41.03 C ATOM 1548 CG GLU A 98 -20.888 -2.531 23.892 1.00 34.52 C ATOM 1549 CD GLU A 98 -21.462 -3.591 22.958 1.00 0.31 C ATOM 1550 OE1 GLU A 98 -21.083 -3.595 21.761 1.00 45.24 O ATOM 1551 OE2 GLU A 98 -22.296 -4.406 23.445 1.00 1.15 O ATOM 0 H GLU A 98 -20.642 -1.499 26.543 1.00 62.50 H new ATOM 0 HA GLU A 98 -20.788 0.235 24.442 1.00 71.43 H new ATOM 0 HB2 GLU A 98 -22.625 -2.127 25.095 1.00 41.03 H new ATOM 0 HB3 GLU A 98 -22.621 -1.304 23.547 1.00 41.03 H new ATOM 0 HG2 GLU A 98 -20.121 -1.959 23.371 1.00 34.52 H new ATOM 0 HG3 GLU A 98 -20.404 -3.013 24.741 1.00 34.52 H new ATOM 1558 N LYS A 99 -23.337 0.347 26.545 1.00 22.21 N ATOM 1559 CA LYS A 99 -24.590 0.967 26.923 1.00 21.31 C ATOM 1560 C LYS A 99 -24.386 2.382 27.442 1.00 20.41 C ATOM 1561 O LYS A 99 -25.330 3.170 27.470 1.00 2.44 O ATOM 1562 CB LYS A 99 -25.337 0.083 27.959 1.00 54.11 C ATOM 1563 CG LYS A 99 -24.714 0.060 29.362 1.00 22.43 C ATOM 1564 CD LYS A 99 -24.930 -1.253 30.139 1.00 0.23 C ATOM 1565 CE LYS A 99 -26.387 -1.639 30.410 1.00 15.35 C ATOM 1566 NZ LYS A 99 -27.030 -0.641 31.287 1.00 40.43 N ATOM 0 H LYS A 99 -22.937 -0.244 27.274 1.00 22.21 H new ATOM 0 HA LYS A 99 -25.210 1.047 26.030 1.00 21.31 H new ATOM 0 HB2 LYS A 99 -26.365 0.435 28.040 1.00 54.11 H new ATOM 0 HB3 LYS A 99 -25.379 -0.938 27.580 1.00 54.11 H new ATOM 0 HG2 LYS A 99 -23.643 0.242 29.273 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -25.130 0.883 29.943 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -24.457 -2.063 29.584 1.00 0.23 H new ATOM 0 HD3 LYS A 99 -24.411 -1.176 31.095 1.00 0.23 H new ATOM 0 HE2 LYS A 99 -26.932 -1.710 29.469 1.00 15.35 H new ATOM 0 HE3 LYS A 99 -26.428 -2.623 30.877 1.00 15.35 H new ATOM 0 HZ1 LYS A 99 -28.012 -0.926 31.475 1.00 40.43 H new ATOM 0 HZ2 LYS A 99 -26.509 -0.581 32.185 1.00 40.43 H new ATOM 0 HZ3 LYS A 99 -27.022 0.288 30.820 1.00 40.43 H new ATOM 1580 N VAL A 100 -23.145 2.742 27.874 1.00 53.42 N ATOM 1581 CA VAL A 100 -22.857 4.032 28.469 1.00 45.42 C ATOM 1582 C VAL A 100 -22.214 4.967 27.465 1.00 12.32 C ATOM 1583 O VAL A 100 -22.393 6.182 27.527 1.00 33.31 O ATOM 1584 CB VAL A 100 -21.980 3.943 29.720 1.00 74.00 C ATOM 1585 CG1 VAL A 100 -22.714 3.072 30.748 1.00 14.43 C ATOM 1586 CG2 VAL A 100 -20.572 3.390 29.473 1.00 30.44 C ATOM 0 H VAL A 100 -22.332 2.130 27.809 1.00 53.42 H new ATOM 0 HA VAL A 100 -23.823 4.432 28.778 1.00 45.42 H new ATOM 0 HB VAL A 100 -21.825 4.960 30.081 1.00 74.00 H new ATOM 0 HG11 VAL A 100 -22.111 2.991 31.652 1.00 14.43 H new ATOM 0 HG12 VAL A 100 -23.674 3.527 30.992 1.00 14.43 H new ATOM 0 HG13 VAL A 100 -22.879 2.078 30.331 1.00 14.43 H new ATOM 0 HG21 VAL A 100 -20.022 3.362 30.414 1.00 30.44 H new ATOM 0 HG22 VAL A 100 -20.643 2.382 29.065 1.00 30.44 H new ATOM 0 HG23 VAL A 100 -20.048 4.032 28.765 1.00 30.44 H new ATOM 1596 N ILE A 101 -21.448 4.414 26.500 1.00 52.04 N ATOM 1597 CA ILE A 101 -20.846 5.182 25.422 1.00 12.25 C ATOM 1598 C ILE A 101 -21.828 5.682 24.375 1.00 33.13 C ATOM 1599 O ILE A 101 -22.892 5.112 24.136 1.00 61.35 O ATOM 1600 CB ILE A 101 -19.736 4.448 24.686 1.00 74.44 C ATOM 1601 CG1 ILE A 101 -20.209 3.136 24.023 1.00 51.11 C ATOM 1602 CG2 ILE A 101 -18.545 4.216 25.635 1.00 24.31 C ATOM 1603 CD1 ILE A 101 -19.716 3.000 22.587 1.00 54.35 C ATOM 0 H ILE A 101 -21.237 3.417 26.459 1.00 52.04 H new ATOM 0 HA ILE A 101 -20.433 6.035 25.961 1.00 12.25 H new ATOM 0 HB ILE A 101 -19.413 5.084 23.862 1.00 74.44 H new ATOM 0 HG12 ILE A 101 -19.854 2.288 24.608 1.00 51.11 H new ATOM 0 HG13 ILE A 101 -21.298 3.098 24.035 1.00 51.11 H new ATOM 0 HG21 ILE A 101 -17.753 3.690 25.103 1.00 24.31 H new ATOM 0 HG22 ILE A 101 -18.169 5.176 25.988 1.00 24.31 H new ATOM 0 HG23 ILE A 101 -18.869 3.618 26.486 1.00 24.31 H new ATOM 0 HD11 ILE A 101 -20.076 2.061 22.166 1.00 54.35 H new ATOM 0 HD12 ILE A 101 -20.093 3.832 21.993 1.00 54.35 H new ATOM 0 HD13 ILE A 101 -18.626 3.009 22.574 1.00 54.35 H new ATOM 1615 N THR A 102 -21.455 6.781 23.678 1.00 21.34 N ATOM 1616 CA THR A 102 -22.118 7.184 22.446 1.00 1.35 C ATOM 1617 C THR A 102 -21.890 6.199 21.322 1.00 10.24 C ATOM 1618 O THR A 102 -20.760 5.877 20.955 1.00 11.42 O ATOM 1619 CB THR A 102 -21.742 8.586 21.968 1.00 3.54 C ATOM 1620 OG1 THR A 102 -22.133 9.550 22.934 1.00 11.34 O ATOM 1621 CG2 THR A 102 -22.380 8.952 20.609 1.00 33.25 C ATOM 0 H THR A 102 -20.693 7.397 23.962 1.00 21.34 H new ATOM 0 HA THR A 102 -23.176 7.198 22.707 1.00 1.35 H new ATOM 0 HB THR A 102 -20.660 8.588 21.836 1.00 3.54 H new ATOM 0 HG1 THR A 102 -21.887 10.445 22.621 1.00 11.34 H new ATOM 0 HG21 THR A 102 -22.076 9.959 20.324 1.00 33.25 H new ATOM 0 HG22 THR A 102 -22.049 8.244 19.849 1.00 33.25 H new ATOM 0 HG23 THR A 102 -23.466 8.912 20.694 1.00 33.25 H new ATOM 1629 N ILE A 103 -23.016 5.757 20.729 1.00 32.11 N ATOM 1630 CA ILE A 103 -23.164 4.888 19.605 1.00 73.13 C ATOM 1631 C ILE A 103 -23.735 5.766 18.556 1.00 11.43 C ATOM 1632 O ILE A 103 -24.677 6.522 18.797 1.00 60.43 O ATOM 1633 CB ILE A 103 -24.115 3.726 19.811 1.00 53.52 C ATOM 1634 CG1 ILE A 103 -23.572 2.840 20.946 1.00 44.24 C ATOM 1635 CG2 ILE A 103 -24.410 2.962 18.488 1.00 41.21 C ATOM 1636 CD1 ILE A 103 -24.481 1.662 21.264 1.00 71.12 C ATOM 0 H ILE A 103 -23.927 6.047 21.084 1.00 32.11 H new ATOM 0 HA ILE A 103 -22.202 4.429 19.377 1.00 73.13 H new ATOM 0 HB ILE A 103 -25.093 4.097 20.118 1.00 53.52 H new ATOM 0 HG12 ILE A 103 -22.586 2.467 20.669 1.00 44.24 H new ATOM 0 HG13 ILE A 103 -23.443 3.446 21.843 1.00 44.24 H new ATOM 0 HG21 ILE A 103 -25.096 2.139 18.688 1.00 41.21 H new ATOM 0 HG22 ILE A 103 -24.862 3.644 17.767 1.00 41.21 H new ATOM 0 HG23 ILE A 103 -23.479 2.568 18.080 1.00 41.21 H new ATOM 0 HD11 ILE A 103 -24.046 1.074 22.072 1.00 71.12 H new ATOM 0 HD12 ILE A 103 -25.460 2.030 21.570 1.00 71.12 H new ATOM 0 HD13 ILE A 103 -24.589 1.037 20.378 1.00 71.12 H new ATOM 1648 N VAL A 104 -23.156 5.689 17.360 1.00 14.23 N ATOM 1649 CA VAL A 104 -23.639 6.454 16.257 1.00 53.12 C ATOM 1650 C VAL A 104 -24.164 5.450 15.259 1.00 45.02 C ATOM 1651 O VAL A 104 -23.471 4.515 14.864 1.00 50.45 O ATOM 1652 CB VAL A 104 -22.560 7.222 15.583 1.00 64.04 C ATOM 1653 CG1 VAL A 104 -23.093 8.139 14.521 1.00 1.51 C ATOM 1654 CG2 VAL A 104 -21.622 7.973 16.521 1.00 62.32 C ATOM 0 H VAL A 104 -22.352 5.098 17.149 1.00 14.23 H new ATOM 0 HA VAL A 104 -24.384 7.166 16.612 1.00 53.12 H new ATOM 0 HB VAL A 104 -21.950 6.453 15.110 1.00 64.04 H new ATOM 0 HG11 VAL A 104 -22.267 8.678 14.058 1.00 1.51 H new ATOM 0 HG12 VAL A 104 -23.615 7.554 13.764 1.00 1.51 H new ATOM 0 HG13 VAL A 104 -23.785 8.852 14.970 1.00 1.51 H new ATOM 0 HG21 VAL A 104 -20.870 8.502 15.936 1.00 62.32 H new ATOM 0 HG22 VAL A 104 -22.194 8.690 17.110 1.00 62.32 H new ATOM 0 HG23 VAL A 104 -21.131 7.265 17.188 1.00 62.32 H new ATOM 1664 N ALA A 105 -25.404 5.649 14.799 1.00 1.33 N ATOM 1665 CA ALA A 105 -25.977 4.892 13.710 1.00 75.42 C ATOM 1666 C ALA A 105 -25.261 5.056 12.374 1.00 1.52 C ATOM 1667 O ALA A 105 -24.979 4.088 11.674 1.00 41.33 O ATOM 1668 CB ALA A 105 -27.452 5.288 13.528 1.00 12.32 C ATOM 0 H ALA A 105 -26.035 6.351 15.185 1.00 1.33 H new ATOM 0 HA ALA A 105 -25.868 3.845 13.994 1.00 75.42 H new ATOM 0 HB1 ALA A 105 -27.883 4.716 12.706 1.00 12.32 H new ATOM 0 HB2 ALA A 105 -28.001 5.076 14.445 1.00 12.32 H new ATOM 0 HB3 ALA A 105 -27.518 6.353 13.303 1.00 12.32 H new ATOM 1674 N ASP A 106 -24.937 6.314 12.008 1.00 45.32 N ATOM 1675 CA ASP A 106 -24.180 6.676 10.827 1.00 64.44 C ATOM 1676 C ASP A 106 -22.735 6.188 10.825 1.00 4.41 C ATOM 1677 O ASP A 106 -22.187 5.859 9.776 1.00 14.11 O ATOM 1678 CB ASP A 106 -24.201 8.213 10.622 1.00 14.04 C ATOM 1679 CG ASP A 106 -25.611 8.679 10.278 1.00 64.42 C ATOM 1680 OD1 ASP A 106 -26.113 8.297 9.191 1.00 24.01 O ATOM 1681 OD2 ASP A 106 -26.195 9.413 11.116 1.00 73.53 O ATOM 0 H ASP A 106 -25.214 7.126 12.560 1.00 45.32 H new ATOM 0 HA ASP A 106 -24.678 6.166 10.002 1.00 64.44 H new ATOM 0 HB2 ASP A 106 -23.856 8.713 11.527 1.00 14.04 H new ATOM 0 HB3 ASP A 106 -23.513 8.490 9.823 1.00 14.04 H new ATOM 1686 N ASP A 107 -22.066 6.211 11.995 1.00 75.21 N ATOM 1687 CA ASP A 107 -20.621 6.144 12.074 1.00 32.42 C ATOM 1688 C ASP A 107 -20.229 5.019 13.035 1.00 13.31 C ATOM 1689 O ASP A 107 -20.106 5.288 14.231 1.00 34.03 O ATOM 1690 CB ASP A 107 -20.079 7.519 12.569 1.00 12.43 C ATOM 1691 CG ASP A 107 -18.575 7.683 12.404 1.00 32.15 C ATOM 1692 OD1 ASP A 107 -17.830 7.055 13.197 1.00 12.13 O ATOM 1693 OD2 ASP A 107 -18.165 8.438 11.484 1.00 42.52 O ATOM 0 H ASP A 107 -22.526 6.277 12.903 1.00 75.21 H new ATOM 0 HA ASP A 107 -20.189 5.932 11.096 1.00 32.42 H new ATOM 0 HB2 ASP A 107 -20.584 8.316 12.023 1.00 12.43 H new ATOM 0 HB3 ASP A 107 -20.335 7.642 13.621 1.00 12.43 H new ATOM 1698 N PRO A 108 -19.976 3.778 12.628 1.00 33.20 N ATOM 1699 CA PRO A 108 -19.618 2.702 13.552 1.00 64.40 C ATOM 1700 C PRO A 108 -18.243 2.894 14.167 1.00 21.30 C ATOM 1701 O PRO A 108 -17.907 2.203 15.128 1.00 4.12 O ATOM 1702 CB PRO A 108 -19.676 1.441 12.672 1.00 21.32 C ATOM 1703 CG PRO A 108 -19.362 1.950 11.262 1.00 31.31 C ATOM 1704 CD PRO A 108 -20.061 3.310 11.240 1.00 13.32 C ATOM 0 HA PRO A 108 -20.288 2.656 14.411 1.00 64.40 H new ATOM 0 HB2 PRO A 108 -18.950 0.695 12.997 1.00 21.32 H new ATOM 0 HB3 PRO A 108 -20.658 0.970 12.716 1.00 21.32 H new ATOM 0 HG2 PRO A 108 -18.289 2.042 11.093 1.00 31.31 H new ATOM 0 HG3 PRO A 108 -19.750 1.282 10.493 1.00 31.31 H new ATOM 0 HD2 PRO A 108 -19.568 4.001 10.556 1.00 13.32 H new ATOM 0 HD3 PRO A 108 -21.097 3.221 10.912 1.00 13.32 H new ATOM 1712 N CYS A 109 -17.418 3.806 13.611 1.00 34.22 N ATOM 1713 CA CYS A 109 -16.064 4.056 14.035 1.00 20.14 C ATOM 1714 C CYS A 109 -16.047 4.743 15.392 1.00 22.43 C ATOM 1715 O CYS A 109 -15.285 4.363 16.279 1.00 30.33 O ATOM 1716 CB CYS A 109 -15.322 4.899 12.974 1.00 4.44 C ATOM 1717 SG CYS A 109 -15.285 4.077 11.344 1.00 55.34 S ATOM 0 H CYS A 109 -17.705 4.397 12.831 1.00 34.22 H new ATOM 0 HA CYS A 109 -15.545 3.103 14.138 1.00 20.14 H new ATOM 0 HB2 CYS A 109 -15.808 5.870 12.879 1.00 4.44 H new ATOM 0 HB3 CYS A 109 -14.301 5.085 13.309 1.00 4.44 H new ATOM 1722 N GLN A 110 -16.943 5.745 15.611 1.00 14.34 N ATOM 1723 CA GLN A 110 -17.132 6.398 16.902 1.00 25.34 C ATOM 1724 C GLN A 110 -17.601 5.420 17.938 1.00 63.31 C ATOM 1725 O GLN A 110 -17.038 5.363 19.024 1.00 24.31 O ATOM 1726 CB GLN A 110 -18.173 7.552 16.845 1.00 45.35 C ATOM 1727 CG GLN A 110 -17.658 8.917 17.356 1.00 70.13 C ATOM 1728 CD GLN A 110 -16.962 9.672 16.227 1.00 1.52 C ATOM 1729 OE1 GLN A 110 -17.246 10.838 15.950 1.00 2.13 O ATOM 1730 NE2 GLN A 110 -16.078 8.940 15.508 1.00 2.40 N ATOM 0 H GLN A 110 -17.551 6.112 14.879 1.00 14.34 H new ATOM 0 HA GLN A 110 -16.157 6.807 17.166 1.00 25.34 H new ATOM 0 HB2 GLN A 110 -18.508 7.669 15.815 1.00 45.35 H new ATOM 0 HB3 GLN A 110 -19.045 7.265 17.433 1.00 45.35 H new ATOM 0 HG2 GLN A 110 -18.490 9.508 17.740 1.00 70.13 H new ATOM 0 HG3 GLN A 110 -16.965 8.766 18.184 1.00 70.13 H new ATOM 0 HE21 GLN A 110 -15.875 7.977 15.777 1.00 2.40 H new ATOM 0 HE22 GLN A 110 -15.615 9.352 14.698 1.00 2.40 H new ATOM 1739 N THR A 111 -18.586 4.565 17.575 1.00 5.13 N ATOM 1740 CA THR A 111 -19.064 3.503 18.462 1.00 41.44 C ATOM 1741 C THR A 111 -17.927 2.588 18.912 1.00 50.40 C ATOM 1742 O THR A 111 -17.786 2.317 20.102 1.00 34.22 O ATOM 1743 CB THR A 111 -20.113 2.615 17.811 1.00 62.41 C ATOM 1744 OG1 THR A 111 -21.215 3.394 17.365 1.00 62.10 O ATOM 1745 CG2 THR A 111 -20.627 1.546 18.806 1.00 30.45 C ATOM 0 H THR A 111 -19.059 4.598 16.672 1.00 5.13 H new ATOM 0 HA THR A 111 -19.502 4.028 19.311 1.00 41.44 H new ATOM 0 HB THR A 111 -19.644 2.119 16.961 1.00 62.41 H new ATOM 0 HG1 THR A 111 -21.715 2.895 16.686 1.00 62.10 H new ATOM 0 HG21 THR A 111 -21.376 0.924 18.317 1.00 30.45 H new ATOM 0 HG22 THR A 111 -19.795 0.923 19.132 1.00 30.45 H new ATOM 0 HG23 THR A 111 -21.073 2.038 19.671 1.00 30.45 H new ATOM 1753 N MET A 112 -17.045 2.134 17.989 1.00 3.24 N ATOM 1754 CA MET A 112 -15.908 1.300 18.340 1.00 22.24 C ATOM 1755 C MET A 112 -14.862 2.008 19.197 1.00 62.30 C ATOM 1756 O MET A 112 -14.436 1.495 20.226 1.00 12.21 O ATOM 1757 CB MET A 112 -15.169 0.786 17.079 1.00 73.52 C ATOM 1758 CG MET A 112 -14.208 -0.377 17.392 1.00 2.41 C ATOM 1759 SD MET A 112 -15.089 -1.883 17.924 1.00 20.42 S ATOM 1760 CE MET A 112 -13.635 -2.866 18.377 1.00 44.21 C ATOM 0 H MET A 112 -17.115 2.343 16.993 1.00 3.24 H new ATOM 0 HA MET A 112 -16.348 0.483 18.912 1.00 22.24 H new ATOM 0 HB2 MET A 112 -15.901 0.459 16.340 1.00 73.52 H new ATOM 0 HB3 MET A 112 -14.608 1.606 16.631 1.00 73.52 H new ATOM 0 HG2 MET A 112 -13.613 -0.601 16.507 1.00 2.41 H new ATOM 0 HG3 MET A 112 -13.513 -0.070 18.174 1.00 2.41 H new ATOM 0 HE1 MET A 112 -13.954 -3.769 18.898 1.00 44.21 H new ATOM 0 HE2 MET A 112 -13.087 -3.142 17.476 1.00 44.21 H new ATOM 0 HE3 MET A 112 -12.988 -2.280 19.030 1.00 44.21 H new ATOM 1770 N LEU A 113 -14.437 3.228 18.796 1.00 14.20 N ATOM 1771 CA LEU A 113 -13.406 4.024 19.457 1.00 75.24 C ATOM 1772 C LEU A 113 -13.835 4.482 20.829 1.00 42.10 C ATOM 1773 O LEU A 113 -13.094 4.333 21.800 1.00 34.23 O ATOM 1774 CB LEU A 113 -13.078 5.200 18.518 1.00 72.33 C ATOM 1775 CG LEU A 113 -11.812 6.086 18.663 1.00 33.50 C ATOM 1776 CD1 LEU A 113 -12.058 7.502 18.096 1.00 33.13 C ATOM 1777 CD2 LEU A 113 -11.031 6.095 19.980 1.00 62.22 C ATOM 0 H LEU A 113 -14.823 3.691 17.973 1.00 14.20 H new ATOM 0 HA LEU A 113 -12.513 3.424 19.633 1.00 75.24 H new ATOM 0 HB2 LEU A 113 -13.050 4.788 17.509 1.00 72.33 H new ATOM 0 HB3 LEU A 113 -13.932 5.876 18.563 1.00 72.33 H new ATOM 0 HG LEU A 113 -11.095 5.544 18.047 1.00 33.50 H new ATOM 0 HD11 LEU A 113 -11.155 8.102 18.210 1.00 33.13 H new ATOM 0 HD12 LEU A 113 -12.315 7.431 17.039 1.00 33.13 H new ATOM 0 HD13 LEU A 113 -12.878 7.974 18.638 1.00 33.13 H new ATOM 0 HD21 LEU A 113 -10.180 6.771 19.894 1.00 62.22 H new ATOM 0 HD22 LEU A 113 -11.682 6.432 20.787 1.00 62.22 H new ATOM 0 HD23 LEU A 113 -10.674 5.088 20.198 1.00 62.22 H new ATOM 1789 N ASN A 114 -15.092 4.976 20.950 1.00 50.10 N ATOM 1790 CA ASN A 114 -15.676 5.400 22.215 1.00 73.31 C ATOM 1791 C ASN A 114 -15.772 4.219 23.159 1.00 14.03 C ATOM 1792 O ASN A 114 -15.457 4.324 24.343 1.00 63.40 O ATOM 1793 CB ASN A 114 -17.116 5.969 22.115 1.00 53.45 C ATOM 1794 CG ASN A 114 -17.162 7.311 21.390 1.00 20.03 C ATOM 1795 OD1 ASN A 114 -16.195 8.070 21.313 1.00 43.13 O ATOM 1796 ND2 ASN A 114 -18.369 7.617 20.843 1.00 44.32 N ATOM 0 H ASN A 114 -15.722 5.086 20.156 1.00 50.10 H new ATOM 0 HA ASN A 114 -15.012 6.191 22.563 1.00 73.31 H new ATOM 0 HB2 ASN A 114 -17.751 5.254 21.591 1.00 53.45 H new ATOM 0 HB3 ASN A 114 -17.528 6.086 23.117 1.00 53.45 H new ATOM 0 HD21 ASN A 114 -18.496 8.500 20.349 1.00 44.32 H new ATOM 0 HD22 ASN A 114 -19.147 6.963 20.927 1.00 44.32 H new ATOM 1803 N LEU A 115 -16.186 3.039 22.637 1.00 65.03 N ATOM 1804 CA LEU A 115 -16.223 1.818 23.406 1.00 74.53 C ATOM 1805 C LEU A 115 -14.867 1.392 23.864 1.00 2.22 C ATOM 1806 O LEU A 115 -14.666 1.060 25.025 1.00 32.44 O ATOM 1807 CB LEU A 115 -16.816 0.652 22.591 1.00 64.40 C ATOM 1808 CG LEU A 115 -16.876 -0.693 23.338 1.00 60.24 C ATOM 1809 CD1 LEU A 115 -15.600 -1.542 23.277 1.00 12.11 C ATOM 1810 CD2 LEU A 115 -17.467 -0.563 24.734 1.00 52.04 C ATOM 0 H LEU A 115 -16.498 2.930 21.672 1.00 65.03 H new ATOM 0 HA LEU A 115 -16.850 2.042 24.269 1.00 74.53 H new ATOM 0 HB2 LEU A 115 -17.824 0.922 22.277 1.00 64.40 H new ATOM 0 HB3 LEU A 115 -16.224 0.522 21.685 1.00 64.40 H new ATOM 0 HG LEU A 115 -17.584 -1.288 22.762 1.00 60.24 H new ATOM 0 HD11 LEU A 115 -15.751 -2.466 23.835 1.00 12.11 H new ATOM 0 HD12 LEU A 115 -15.370 -1.779 22.238 1.00 12.11 H new ATOM 0 HD13 LEU A 115 -14.771 -0.985 23.715 1.00 12.11 H new ATOM 0 HD21 LEU A 115 -17.485 -1.541 25.214 1.00 52.04 H new ATOM 0 HD22 LEU A 115 -16.857 0.120 25.325 1.00 52.04 H new ATOM 0 HD23 LEU A 115 -18.483 -0.174 24.664 1.00 52.04 H new ATOM 1822 N ALA A 116 -13.896 1.403 22.943 1.00 33.13 N ATOM 1823 CA ALA A 116 -12.556 0.913 23.159 1.00 60.22 C ATOM 1824 C ALA A 116 -11.853 1.728 24.209 1.00 41.14 C ATOM 1825 O ALA A 116 -11.173 1.192 25.084 1.00 73.53 O ATOM 1826 CB ALA A 116 -11.742 0.928 21.852 1.00 32.10 C ATOM 0 H ALA A 116 -14.040 1.768 22.001 1.00 33.13 H new ATOM 0 HA ALA A 116 -12.634 -0.117 23.506 1.00 60.22 H new ATOM 0 HB1 ALA A 116 -10.737 0.554 22.045 1.00 32.10 H new ATOM 0 HB2 ALA A 116 -12.230 0.293 21.112 1.00 32.10 H new ATOM 0 HB3 ALA A 116 -11.683 1.948 21.472 1.00 32.10 H new ATOM 1832 N MET A 117 -12.033 3.069 24.154 1.00 63.15 N ATOM 1833 CA MET A 117 -11.452 3.949 25.128 1.00 63.32 C ATOM 1834 C MET A 117 -12.172 3.806 26.482 1.00 73.24 C ATOM 1835 O MET A 117 -11.533 3.954 27.518 1.00 12.20 O ATOM 1836 CB MET A 117 -11.398 5.412 24.577 1.00 34.31 C ATOM 1837 CG MET A 117 -12.721 6.190 24.542 1.00 42.54 C ATOM 1838 SD MET A 117 -12.535 7.876 23.882 1.00 53.12 S ATOM 1839 CE MET A 117 -14.160 8.482 24.417 1.00 14.21 C ATOM 0 H MET A 117 -12.581 3.541 23.434 1.00 63.15 H new ATOM 0 HA MET A 117 -10.416 3.665 25.315 1.00 63.32 H new ATOM 0 HB2 MET A 117 -10.688 5.976 25.182 1.00 34.31 H new ATOM 0 HB3 MET A 117 -10.997 5.378 23.564 1.00 34.31 H new ATOM 0 HG2 MET A 117 -13.441 5.644 23.933 1.00 42.54 H new ATOM 0 HG3 MET A 117 -13.132 6.243 25.550 1.00 42.54 H new ATOM 0 HE1 MET A 117 -14.477 9.296 23.766 1.00 14.21 H new ATOM 0 HE2 MET A 117 -14.886 7.671 24.364 1.00 14.21 H new ATOM 0 HE3 MET A 117 -14.094 8.843 25.443 1.00 14.21 H new ATOM 1849 N CYS A 118 -13.497 3.452 26.519 1.00 32.32 N ATOM 1850 CA CYS A 118 -14.197 3.029 27.749 1.00 54.31 C ATOM 1851 C CYS A 118 -13.731 1.676 28.275 1.00 53.23 C ATOM 1852 O CYS A 118 -13.438 1.529 29.460 1.00 3.33 O ATOM 1853 CB CYS A 118 -15.749 2.977 27.583 1.00 15.14 C ATOM 1854 SG CYS A 118 -16.725 2.545 29.086 1.00 3.34 S ATOM 0 H CYS A 118 -14.095 3.457 25.693 1.00 32.32 H new ATOM 0 HA CYS A 118 -13.936 3.802 28.472 1.00 54.31 H new ATOM 0 HB2 CYS A 118 -16.086 3.950 27.226 1.00 15.14 H new ATOM 0 HB3 CYS A 118 -15.984 2.252 26.804 1.00 15.14 H new ATOM 1859 N PHE A 119 -13.597 0.653 27.399 1.00 71.14 N ATOM 1860 CA PHE A 119 -13.019 -0.635 27.751 1.00 32.42 C ATOM 1861 C PHE A 119 -11.636 -0.571 28.368 1.00 22.04 C ATOM 1862 O PHE A 119 -11.391 -1.162 29.423 1.00 13.53 O ATOM 1863 CB PHE A 119 -12.979 -1.490 26.461 1.00 41.41 C ATOM 1864 CG PHE A 119 -12.271 -2.818 26.591 1.00 22.20 C ATOM 1865 CD1 PHE A 119 -10.907 -2.872 26.244 1.00 24.14 C ATOM 1866 CD2 PHE A 119 -12.889 -3.967 27.101 1.00 62.32 C ATOM 1867 CE1 PHE A 119 -10.170 -4.044 26.417 1.00 50.32 C ATOM 1868 CE2 PHE A 119 -12.147 -5.142 27.280 1.00 13.13 C ATOM 1869 CZ PHE A 119 -10.789 -5.180 26.945 1.00 22.33 C ATOM 0 H PHE A 119 -13.894 0.714 26.425 1.00 71.14 H new ATOM 0 HA PHE A 119 -13.648 -1.071 28.527 1.00 32.42 H new ATOM 0 HB2 PHE A 119 -14.002 -1.673 26.133 1.00 41.41 H new ATOM 0 HB3 PHE A 119 -12.491 -0.912 25.676 1.00 41.41 H new ATOM 0 HD1 PHE A 119 -10.425 -1.995 25.839 1.00 24.14 H new ATOM 0 HD2 PHE A 119 -13.938 -3.947 27.356 1.00 62.32 H new ATOM 0 HE1 PHE A 119 -9.125 -4.073 26.144 1.00 50.32 H new ATOM 0 HE2 PHE A 119 -12.626 -6.024 27.679 1.00 13.13 H new ATOM 0 HZ PHE A 119 -10.220 -6.086 27.094 1.00 22.33 H new ATOM 1879 N LYS A 120 -10.712 0.194 27.752 1.00 24.33 N ATOM 1880 CA LYS A 120 -9.391 0.409 28.289 1.00 54.31 C ATOM 1881 C LYS A 120 -9.420 1.137 29.615 1.00 71.03 C ATOM 1882 O LYS A 120 -8.548 0.951 30.461 1.00 63.11 O ATOM 1883 CB LYS A 120 -8.471 1.230 27.340 1.00 12.40 C ATOM 1884 CG LYS A 120 -7.988 0.507 26.069 1.00 41.14 C ATOM 1885 CD LYS A 120 -6.958 -0.613 26.327 1.00 60.31 C ATOM 1886 CE LYS A 120 -5.710 -0.234 27.141 1.00 51.11 C ATOM 1887 NZ LYS A 120 -4.952 0.846 26.481 1.00 1.11 N ATOM 0 H LYS A 120 -10.880 0.673 26.867 1.00 24.33 H new ATOM 0 HA LYS A 120 -8.989 -0.596 28.413 1.00 54.31 H new ATOM 0 HB2 LYS A 120 -9.006 2.131 27.039 1.00 12.40 H new ATOM 0 HB3 LYS A 120 -7.596 1.552 27.905 1.00 12.40 H new ATOM 0 HG2 LYS A 120 -8.851 0.080 25.558 1.00 41.14 H new ATOM 0 HG3 LYS A 120 -7.548 1.240 25.393 1.00 41.14 H new ATOM 0 HD2 LYS A 120 -7.465 -1.428 26.843 1.00 60.31 H new ATOM 0 HD3 LYS A 120 -6.630 -1.001 25.363 1.00 60.31 H new ATOM 0 HE2 LYS A 120 -6.007 0.084 28.140 1.00 51.11 H new ATOM 0 HE3 LYS A 120 -5.071 -1.109 27.262 1.00 51.11 H new ATOM 0 HZ1 LYS A 120 -3.940 0.740 26.695 1.00 1.11 H new ATOM 0 HZ2 LYS A 120 -5.096 0.793 25.452 1.00 1.11 H new ATOM 0 HZ3 LYS A 120 -5.285 1.767 26.830 1.00 1.11 H new ATOM 1901 N ALA A 121 -10.448 1.984 29.821 1.00 42.32 N ATOM 1902 CA ALA A 121 -10.605 2.768 31.030 1.00 30.14 C ATOM 1903 C ALA A 121 -10.805 1.887 32.251 1.00 73.13 C ATOM 1904 O ALA A 121 -10.235 2.095 33.319 1.00 41.51 O ATOM 1905 CB ALA A 121 -11.804 3.728 30.893 1.00 72.32 C ATOM 0 H ALA A 121 -11.191 2.134 29.138 1.00 42.32 H new ATOM 0 HA ALA A 121 -9.687 3.339 31.166 1.00 30.14 H new ATOM 0 HB1 ALA A 121 -11.910 4.310 31.808 1.00 72.32 H new ATOM 0 HB2 ALA A 121 -11.637 4.401 30.052 1.00 72.32 H new ATOM 0 HB3 ALA A 121 -12.714 3.152 30.722 1.00 72.32 H new ATOM 1911 N GLU A 122 -11.646 0.851 32.082 1.00 1.14 N ATOM 1912 CA GLU A 122 -11.928 -0.145 33.084 1.00 31.44 C ATOM 1913 C GLU A 122 -10.752 -1.074 33.390 1.00 1.33 C ATOM 1914 O GLU A 122 -10.409 -1.256 34.550 1.00 21.41 O ATOM 1915 CB GLU A 122 -13.189 -0.914 32.627 1.00 60.20 C ATOM 1916 CG GLU A 122 -14.484 -0.050 32.640 1.00 35.50 C ATOM 1917 CD GLU A 122 -14.887 0.446 34.030 1.00 44.35 C ATOM 1918 OE1 GLU A 122 -14.913 1.689 34.224 1.00 44.02 O ATOM 1919 OE2 GLU A 122 -15.189 -0.410 34.903 1.00 71.04 O ATOM 0 H GLU A 122 -12.154 0.696 31.211 1.00 1.14 H new ATOM 0 HA GLU A 122 -12.107 0.353 34.037 1.00 31.44 H new ATOM 0 HB2 GLU A 122 -13.027 -1.295 31.619 1.00 60.20 H new ATOM 0 HB3 GLU A 122 -13.332 -1.778 33.275 1.00 60.20 H new ATOM 0 HG2 GLU A 122 -14.341 0.810 31.986 1.00 35.50 H new ATOM 0 HG3 GLU A 122 -15.303 -0.635 32.223 1.00 35.50 H new ATOM 1926 N ILE A 123 -10.027 -1.634 32.393 1.00 71.50 N ATOM 1927 CA ILE A 123 -8.823 -2.427 32.623 1.00 53.45 C ATOM 1928 C ILE A 123 -7.646 -1.647 33.177 1.00 24.21 C ATOM 1929 O ILE A 123 -6.777 -2.224 33.823 1.00 45.12 O ATOM 1930 CB ILE A 123 -8.381 -3.238 31.408 1.00 71.41 C ATOM 1931 CG1 ILE A 123 -7.954 -2.345 30.235 1.00 21.32 C ATOM 1932 CG2 ILE A 123 -9.509 -4.205 30.991 1.00 55.42 C ATOM 1933 CD1 ILE A 123 -7.532 -3.098 28.973 1.00 51.12 C ATOM 0 H ILE A 123 -10.272 -1.541 31.407 1.00 71.50 H new ATOM 0 HA ILE A 123 -9.141 -3.122 33.400 1.00 53.45 H new ATOM 0 HB ILE A 123 -7.501 -3.815 31.691 1.00 71.41 H new ATOM 0 HG12 ILE A 123 -8.780 -1.680 29.984 1.00 21.32 H new ATOM 0 HG13 ILE A 123 -7.125 -1.716 30.559 1.00 21.32 H new ATOM 0 HG21 ILE A 123 -9.191 -4.783 30.123 1.00 55.42 H new ATOM 0 HG22 ILE A 123 -9.731 -4.882 31.816 1.00 55.42 H new ATOM 0 HG23 ILE A 123 -10.403 -3.634 30.739 1.00 55.42 H new ATOM 0 HD11 ILE A 123 -7.248 -2.383 28.201 1.00 51.12 H new ATOM 0 HD12 ILE A 123 -6.683 -3.743 29.201 1.00 51.12 H new ATOM 0 HD13 ILE A 123 -8.364 -3.706 28.617 1.00 51.12 H new ATOM 1945 N HIS A 124 -7.613 -0.306 32.992 1.00 15.13 N ATOM 1946 CA HIS A 124 -6.673 0.592 33.645 1.00 64.54 C ATOM 1947 C HIS A 124 -6.842 0.567 35.162 1.00 40.01 C ATOM 1948 O HIS A 124 -5.866 0.614 35.906 1.00 32.04 O ATOM 1949 CB HIS A 124 -6.831 2.047 33.127 1.00 53.45 C ATOM 1950 CG HIS A 124 -5.821 3.025 33.662 1.00 20.32 C ATOM 1951 ND1 HIS A 124 -4.496 2.956 33.331 1.00 12.54 N ATOM 1952 CD2 HIS A 124 -5.966 4.086 34.486 1.00 42.13 C ATOM 1953 CE1 HIS A 124 -3.856 3.941 33.934 1.00 60.22 C ATOM 1954 NE2 HIS A 124 -4.725 4.641 34.640 1.00 62.02 N ATOM 0 H HIS A 124 -8.259 0.177 32.368 1.00 15.13 H new ATOM 0 HA HIS A 124 -5.672 0.238 33.399 1.00 64.54 H new ATOM 0 HB2 HIS A 124 -6.765 2.039 32.039 1.00 53.45 H new ATOM 0 HB3 HIS A 124 -7.829 2.402 33.383 1.00 53.45 H new ATOM 0 HD2 HIS A 124 -6.885 4.430 34.937 1.00 42.13 H new ATOM 0 HE1 HIS A 124 -2.797 4.141 33.862 1.00 60.22 H new ATOM 0 HE2 HIS A 124 -4.507 5.461 35.207 1.00 62.02 H new ATOM 1963 N LYS A 125 -8.108 0.514 35.651 1.00 1.03 N ATOM 1964 CA LYS A 125 -8.438 0.535 37.070 1.00 61.15 C ATOM 1965 C LYS A 125 -8.053 -0.753 37.802 1.00 35.13 C ATOM 1966 O LYS A 125 -7.799 -0.757 39.006 1.00 50.21 O ATOM 1967 CB LYS A 125 -9.954 0.855 37.275 1.00 23.12 C ATOM 1968 CG LYS A 125 -10.913 -0.320 37.562 1.00 55.40 C ATOM 1969 CD LYS A 125 -12.394 0.093 37.576 1.00 63.14 C ATOM 1970 CE LYS A 125 -13.319 -1.081 37.899 1.00 21.13 C ATOM 1971 NZ LYS A 125 -14.727 -0.664 37.763 1.00 63.11 N ATOM 0 H LYS A 125 -8.929 0.455 35.048 1.00 1.03 H new ATOM 0 HA LYS A 125 -7.838 1.329 37.515 1.00 61.15 H new ATOM 0 HB2 LYS A 125 -10.037 1.562 38.100 1.00 23.12 H new ATOM 0 HB3 LYS A 125 -10.311 1.366 36.381 1.00 23.12 H new ATOM 0 HG2 LYS A 125 -10.766 -1.093 36.808 1.00 55.40 H new ATOM 0 HG3 LYS A 125 -10.657 -0.762 38.525 1.00 55.40 H new ATOM 0 HD2 LYS A 125 -12.542 0.883 38.312 1.00 63.14 H new ATOM 0 HD3 LYS A 125 -12.663 0.508 36.605 1.00 63.14 H new ATOM 0 HE2 LYS A 125 -13.111 -1.914 37.228 1.00 21.13 H new ATOM 0 HE3 LYS A 125 -13.132 -1.434 38.913 1.00 21.13 H new ATOM 0 HZ1 LYS A 125 -15.345 -1.383 38.190 1.00 63.11 H new ATOM 0 HZ2 LYS A 125 -14.868 0.245 38.248 1.00 63.11 H new ATOM 0 HZ3 LYS A 125 -14.962 -0.559 36.755 1.00 63.11 H new ATOM 1985 N LEU A 126 -8.049 -1.888 37.067 1.00 73.12 N ATOM 1986 CA LEU A 126 -7.856 -3.243 37.554 1.00 31.24 C ATOM 1987 C LEU A 126 -6.460 -3.555 38.069 1.00 61.35 C ATOM 1988 O LEU A 126 -5.451 -2.975 37.679 1.00 63.15 O ATOM 1989 CB LEU A 126 -8.232 -4.283 36.462 1.00 23.21 C ATOM 1990 CG LEU A 126 -9.733 -4.266 36.089 1.00 72.11 C ATOM 1991 CD1 LEU A 126 -10.008 -4.971 34.754 1.00 12.33 C ATOM 1992 CD2 LEU A 126 -10.609 -4.879 37.190 1.00 65.32 C ATOM 0 H LEU A 126 -8.191 -1.864 36.057 1.00 73.12 H new ATOM 0 HA LEU A 126 -8.524 -3.315 38.413 1.00 31.24 H new ATOM 0 HB2 LEU A 126 -7.641 -4.089 35.567 1.00 23.21 H new ATOM 0 HB3 LEU A 126 -7.963 -5.280 36.812 1.00 23.21 H new ATOM 0 HG LEU A 126 -9.999 -3.215 35.982 1.00 72.11 H new ATOM 0 HD11 LEU A 126 -11.075 -4.933 34.535 1.00 12.33 H new ATOM 0 HD12 LEU A 126 -9.456 -4.471 33.958 1.00 12.33 H new ATOM 0 HD13 LEU A 126 -9.688 -6.011 34.819 1.00 12.33 H new ATOM 0 HD21 LEU A 126 -11.655 -4.845 36.884 1.00 65.32 H new ATOM 0 HD22 LEU A 126 -10.313 -5.915 37.356 1.00 65.32 H new ATOM 0 HD23 LEU A 126 -10.483 -4.313 38.113 1.00 65.32 H new ATOM 2004 N ASP A 127 -6.396 -4.529 39.005 1.00 22.33 N ATOM 2005 CA ASP A 127 -5.186 -4.945 39.686 1.00 62.20 C ATOM 2006 C ASP A 127 -4.407 -5.991 38.879 1.00 60.45 C ATOM 2007 O ASP A 127 -3.355 -6.452 39.311 1.00 30.43 O ATOM 2008 CB ASP A 127 -5.582 -5.473 41.099 1.00 23.24 C ATOM 2009 CG ASP A 127 -4.389 -5.706 42.029 1.00 14.21 C ATOM 2010 OD1 ASP A 127 -3.634 -4.729 42.268 1.00 10.22 O ATOM 2011 OD2 ASP A 127 -4.262 -6.849 42.539 1.00 30.31 O ATOM 0 H ASP A 127 -7.219 -5.052 39.304 1.00 22.33 H new ATOM 0 HA ASP A 127 -4.513 -4.094 39.790 1.00 62.20 H new ATOM 0 HB2 ASP A 127 -6.261 -4.759 41.566 1.00 23.24 H new ATOM 0 HB3 ASP A 127 -6.131 -6.408 40.986 1.00 23.24 H new ATOM 2016 N TRP A 128 -4.906 -6.385 37.689 1.00 52.21 N ATOM 2017 CA TRP A 128 -4.237 -7.326 36.809 1.00 63.00 C ATOM 2018 C TRP A 128 -4.221 -6.711 35.424 1.00 35.43 C ATOM 2019 O TRP A 128 -5.063 -5.872 35.106 1.00 12.01 O ATOM 2020 CB TRP A 128 -4.935 -8.722 36.764 1.00 41.20 C ATOM 2021 CG TRP A 128 -6.344 -8.683 36.201 1.00 2.44 C ATOM 2022 CD1 TRP A 128 -7.444 -8.142 36.789 1.00 43.12 C ATOM 2023 CD2 TRP A 128 -6.733 -9.066 34.869 1.00 24.51 C ATOM 2024 NE1 TRP A 128 -8.487 -8.095 35.893 1.00 73.30 N ATOM 2025 CE2 TRP A 128 -8.072 -8.657 34.706 1.00 71.12 C ATOM 2026 CE3 TRP A 128 -6.036 -9.685 33.834 1.00 30.24 C ATOM 2027 CZ2 TRP A 128 -8.735 -8.845 33.499 1.00 64.01 C ATOM 2028 CZ3 TRP A 128 -6.716 -9.905 32.627 1.00 35.20 C ATOM 2029 CH2 TRP A 128 -8.041 -9.476 32.454 1.00 52.14 C ATOM 0 H TRP A 128 -5.795 -6.047 37.321 1.00 52.21 H new ATOM 0 HA TRP A 128 -3.230 -7.505 37.187 1.00 63.00 H new ATOM 0 HB2 TRP A 128 -4.331 -9.401 36.161 1.00 41.20 H new ATOM 0 HB3 TRP A 128 -4.968 -9.134 37.772 1.00 41.20 H new ATOM 0 HD1 TRP A 128 -7.492 -7.799 37.812 1.00 43.12 H new ATOM 0 HE1 TRP A 128 -9.413 -7.709 36.077 1.00 73.30 H new ATOM 0 HE3 TRP A 128 -5.006 -9.986 33.957 1.00 30.24 H new ATOM 0 HZ2 TRP A 128 -9.755 -8.515 33.369 1.00 64.01 H new ATOM 0 HZ3 TRP A 128 -6.212 -10.413 31.818 1.00 35.20 H new ATOM 0 HH2 TRP A 128 -8.533 -9.633 31.505 1.00 52.14 H new ATOM 2040 N ALA A 129 -3.257 -7.110 34.569 1.00 71.31 N ATOM 2041 CA ALA A 129 -3.154 -6.586 33.228 1.00 32.12 C ATOM 2042 C ALA A 129 -3.433 -7.670 32.191 1.00 33.41 C ATOM 2043 O ALA A 129 -2.693 -8.656 32.157 1.00 63.45 O ATOM 2044 CB ALA A 129 -1.752 -6.004 32.985 1.00 61.14 C ATOM 0 H ALA A 129 -2.543 -7.799 34.804 1.00 71.31 H new ATOM 0 HA ALA A 129 -3.900 -5.798 33.124 1.00 32.12 H new ATOM 0 HB1 ALA A 129 -1.691 -5.613 31.969 1.00 61.14 H new ATOM 0 HB2 ALA A 129 -1.564 -5.199 33.695 1.00 61.14 H new ATOM 0 HB3 ALA A 129 -1.005 -6.787 33.118 1.00 61.14 H new ATOM 2050 N PRO A 130 -4.437 -7.577 31.314 1.00 10.24 N ATOM 2051 CA PRO A 130 -4.441 -8.302 30.044 1.00 21.11 C ATOM 2052 C PRO A 130 -3.384 -7.710 29.122 1.00 25.44 C ATOM 2053 O PRO A 130 -3.045 -6.532 29.234 1.00 73.45 O ATOM 2054 CB PRO A 130 -5.860 -8.067 29.509 1.00 43.33 C ATOM 2055 CG PRO A 130 -6.259 -6.703 30.075 1.00 73.35 C ATOM 2056 CD PRO A 130 -5.589 -6.675 31.446 1.00 51.11 C ATOM 0 HA PRO A 130 -4.208 -9.363 30.132 1.00 21.11 H new ATOM 0 HB2 PRO A 130 -5.879 -8.066 28.419 1.00 43.33 H new ATOM 0 HB3 PRO A 130 -6.544 -8.849 29.839 1.00 43.33 H new ATOM 0 HG2 PRO A 130 -5.910 -5.888 29.441 1.00 73.35 H new ATOM 0 HG3 PRO A 130 -7.341 -6.603 30.155 1.00 73.35 H new ATOM 0 HD2 PRO A 130 -5.274 -5.666 31.713 1.00 51.11 H new ATOM 0 HD3 PRO A 130 -6.270 -7.013 32.227 1.00 51.11 H new ATOM 2064 N THR A 131 -2.835 -8.523 28.201 1.00 63.22 N ATOM 2065 CA THR A 131 -1.847 -8.089 27.229 1.00 14.11 C ATOM 2066 C THR A 131 -2.606 -7.616 26.005 1.00 64.23 C ATOM 2067 O THR A 131 -3.809 -7.850 25.878 1.00 10.41 O ATOM 2068 CB THR A 131 -0.836 -9.175 26.835 1.00 25.10 C ATOM 2069 OG1 THR A 131 -1.356 -10.209 26.003 1.00 12.14 O ATOM 2070 CG2 THR A 131 -0.382 -9.887 28.120 1.00 21.13 C ATOM 0 H THR A 131 -3.077 -9.511 28.120 1.00 63.22 H new ATOM 0 HA THR A 131 -1.250 -7.296 27.680 1.00 14.11 H new ATOM 0 HB THR A 131 -0.050 -8.656 26.286 1.00 25.10 H new ATOM 0 HG1 THR A 131 -0.646 -10.854 25.801 1.00 12.14 H new ATOM 0 HG21 THR A 131 0.338 -10.666 27.869 1.00 21.13 H new ATOM 0 HG22 THR A 131 0.083 -9.165 28.791 1.00 21.13 H new ATOM 0 HG23 THR A 131 -1.245 -10.336 28.612 1.00 21.13 H new ATOM 2078 N LEU A 132 -1.931 -6.966 25.033 1.00 65.42 N ATOM 2079 CA LEU A 132 -2.570 -6.524 23.804 1.00 73.20 C ATOM 2080 C LEU A 132 -3.103 -7.669 22.951 1.00 31.52 C ATOM 2081 O LEU A 132 -4.034 -7.479 22.182 1.00 63.41 O ATOM 2082 CB LEU A 132 -1.657 -5.623 22.921 1.00 61.33 C ATOM 2083 CG LEU A 132 -1.402 -4.180 23.438 1.00 73.25 C ATOM 2084 CD1 LEU A 132 -2.707 -3.377 23.592 1.00 71.21 C ATOM 2085 CD2 LEU A 132 -0.547 -4.094 24.715 1.00 0.12 C ATOM 0 H LEU A 132 -0.938 -6.741 25.090 1.00 65.42 H new ATOM 0 HA LEU A 132 -3.413 -5.929 24.155 1.00 73.20 H new ATOM 0 HB2 LEU A 132 -0.694 -6.120 22.807 1.00 61.33 H new ATOM 0 HB3 LEU A 132 -2.101 -5.557 21.928 1.00 61.33 H new ATOM 0 HG LEU A 132 -0.803 -3.718 22.653 1.00 73.25 H new ATOM 0 HD11 LEU A 132 -2.477 -2.376 23.956 1.00 71.21 H new ATOM 0 HD12 LEU A 132 -3.207 -3.306 22.626 1.00 71.21 H new ATOM 0 HD13 LEU A 132 -3.362 -3.880 24.303 1.00 71.21 H new ATOM 0 HD21 LEU A 132 -0.423 -3.049 25.000 1.00 0.12 H new ATOM 0 HD22 LEU A 132 -1.043 -4.634 25.522 1.00 0.12 H new ATOM 0 HD23 LEU A 132 0.431 -4.538 24.529 1.00 0.12 H new ATOM 2097 N ASP A 133 -2.568 -8.907 23.071 1.00 74.22 N ATOM 2098 CA ASP A 133 -3.153 -10.065 22.408 1.00 15.43 C ATOM 2099 C ASP A 133 -4.572 -10.361 22.897 1.00 53.30 C ATOM 2100 O ASP A 133 -5.450 -10.681 22.107 1.00 63.11 O ATOM 2101 CB ASP A 133 -2.295 -11.338 22.632 1.00 22.42 C ATOM 2102 CG ASP A 133 -0.946 -11.216 21.940 1.00 72.15 C ATOM 2103 OD1 ASP A 133 0.079 -11.258 22.671 1.00 33.22 O ATOM 2104 OD2 ASP A 133 -0.923 -11.091 20.690 1.00 3.33 O ATOM 0 H ASP A 133 -1.735 -9.115 23.622 1.00 74.22 H new ATOM 0 HA ASP A 133 -3.184 -9.812 21.348 1.00 15.43 H new ATOM 0 HB2 ASP A 133 -2.147 -11.497 23.700 1.00 22.42 H new ATOM 0 HB3 ASP A 133 -2.826 -12.210 22.250 1.00 22.42 H new ATOM 2109 N VAL A 134 -4.813 -10.248 24.217 1.00 73.12 N ATOM 2110 CA VAL A 134 -6.022 -10.674 24.908 1.00 61.53 C ATOM 2111 C VAL A 134 -6.992 -9.550 25.174 1.00 72.40 C ATOM 2112 O VAL A 134 -8.190 -9.718 24.939 1.00 3.33 O ATOM 2113 CB VAL A 134 -5.732 -11.508 26.146 1.00 71.55 C ATOM 2114 CG1 VAL A 134 -4.576 -10.953 26.950 1.00 73.13 C ATOM 2115 CG2 VAL A 134 -6.968 -11.793 27.024 1.00 32.31 C ATOM 0 H VAL A 134 -4.130 -9.836 24.852 1.00 73.12 H new ATOM 0 HA VAL A 134 -6.533 -11.336 24.210 1.00 61.53 H new ATOM 0 HB VAL A 134 -5.428 -12.482 25.764 1.00 71.55 H new ATOM 0 HG11 VAL A 134 -4.406 -11.581 27.824 1.00 73.13 H new ATOM 0 HG12 VAL A 134 -3.677 -10.939 26.333 1.00 73.13 H new ATOM 0 HG13 VAL A 134 -4.811 -9.939 27.272 1.00 73.13 H new ATOM 0 HG21 VAL A 134 -6.672 -12.393 27.885 1.00 32.31 H new ATOM 0 HG22 VAL A 134 -7.395 -10.851 27.368 1.00 32.31 H new ATOM 0 HG23 VAL A 134 -7.711 -12.337 26.441 1.00 32.31 H new ATOM 2125 N ALA A 135 -6.526 -8.355 25.621 1.00 72.35 N ATOM 2126 CA ALA A 135 -7.411 -7.233 25.893 1.00 23.34 C ATOM 2127 C ALA A 135 -8.123 -6.742 24.654 1.00 5.42 C ATOM 2128 O ALA A 135 -9.341 -6.593 24.625 1.00 45.44 O ATOM 2129 CB ALA A 135 -6.643 -6.048 26.521 1.00 23.40 C ATOM 0 H ALA A 135 -5.540 -8.161 25.795 1.00 72.35 H new ATOM 0 HA ALA A 135 -8.154 -7.608 26.597 1.00 23.34 H new ATOM 0 HB1 ALA A 135 -7.334 -5.227 26.711 1.00 23.40 H new ATOM 0 HB2 ALA A 135 -6.189 -6.365 27.460 1.00 23.40 H new ATOM 0 HB3 ALA A 135 -5.864 -5.715 25.835 1.00 23.40 H new ATOM 2135 N VAL A 136 -7.363 -6.548 23.557 1.00 61.02 N ATOM 2136 CA VAL A 136 -7.942 -6.223 22.275 1.00 71.34 C ATOM 2137 C VAL A 136 -8.584 -7.433 21.682 1.00 33.51 C ATOM 2138 O VAL A 136 -9.609 -7.337 21.016 1.00 35.24 O ATOM 2139 CB VAL A 136 -6.982 -5.578 21.289 1.00 10.25 C ATOM 2140 CG1 VAL A 136 -5.879 -4.807 22.044 1.00 22.22 C ATOM 2141 CG2 VAL A 136 -6.441 -6.480 20.162 1.00 22.42 C ATOM 0 H VAL A 136 -6.345 -6.615 23.553 1.00 61.02 H new ATOM 0 HA VAL A 136 -8.694 -5.460 22.472 1.00 71.34 H new ATOM 0 HB VAL A 136 -7.586 -4.869 20.723 1.00 10.25 H new ATOM 0 HG11 VAL A 136 -5.198 -4.350 21.326 1.00 22.22 H new ATOM 0 HG12 VAL A 136 -6.334 -4.030 22.658 1.00 22.22 H new ATOM 0 HG13 VAL A 136 -5.325 -5.496 22.682 1.00 22.22 H new ATOM 0 HG21 VAL A 136 -5.768 -5.904 19.527 1.00 22.42 H new ATOM 0 HG22 VAL A 136 -5.900 -7.320 20.597 1.00 22.42 H new ATOM 0 HG23 VAL A 136 -7.272 -6.854 19.565 1.00 22.42 H new ATOM 2151 N GLY A 137 -7.980 -8.620 21.899 1.00 12.53 N ATOM 2152 CA GLY A 137 -8.437 -9.832 21.253 1.00 72.25 C ATOM 2153 C GLY A 137 -9.842 -10.215 21.600 1.00 61.02 C ATOM 2154 O GLY A 137 -10.593 -10.586 20.709 1.00 72.21 O ATOM 0 H GLY A 137 -7.179 -8.748 22.517 1.00 12.53 H new ATOM 0 HA2 GLY A 137 -8.362 -9.706 20.173 1.00 72.25 H new ATOM 0 HA3 GLY A 137 -7.770 -10.650 21.526 1.00 72.25 H new ATOM 2158 N GLU A 138 -10.265 -10.111 22.884 1.00 63.42 N ATOM 2159 CA GLU A 138 -11.652 -10.365 23.246 1.00 74.12 C ATOM 2160 C GLU A 138 -12.637 -9.361 22.645 1.00 54.55 C ATOM 2161 O GLU A 138 -13.725 -9.749 22.220 1.00 1.34 O ATOM 2162 CB GLU A 138 -11.869 -10.470 24.776 1.00 15.43 C ATOM 2163 CG GLU A 138 -11.007 -11.613 25.349 1.00 3.00 C ATOM 2164 CD GLU A 138 -11.550 -12.178 26.653 1.00 52.41 C ATOM 2165 OE1 GLU A 138 -10.921 -11.931 27.710 1.00 51.43 O ATOM 2166 OE2 GLU A 138 -12.546 -12.940 26.570 1.00 73.43 O ATOM 0 H GLU A 138 -9.662 -9.855 23.666 1.00 63.42 H new ATOM 0 HA GLU A 138 -11.867 -11.338 22.805 1.00 74.12 H new ATOM 0 HB2 GLU A 138 -11.605 -9.527 25.255 1.00 15.43 H new ATOM 0 HB3 GLU A 138 -12.922 -10.653 24.991 1.00 15.43 H new ATOM 0 HG2 GLU A 138 -10.942 -12.414 24.613 1.00 3.00 H new ATOM 0 HG3 GLU A 138 -9.993 -11.248 25.513 1.00 3.00 H new ATOM 2173 N LEU A 139 -12.265 -8.055 22.551 1.00 33.41 N ATOM 2174 CA LEU A 139 -13.034 -7.040 21.845 1.00 12.15 C ATOM 2175 C LEU A 139 -13.181 -7.307 20.396 1.00 63.51 C ATOM 2176 O LEU A 139 -14.277 -7.281 19.839 1.00 41.23 O ATOM 2177 CB LEU A 139 -12.334 -5.663 21.829 1.00 13.30 C ATOM 2178 CG LEU A 139 -12.413 -4.883 23.115 1.00 34.42 C ATOM 2179 CD1 LEU A 139 -11.473 -3.668 23.036 1.00 31.02 C ATOM 2180 CD2 LEU A 139 -13.861 -4.404 23.255 1.00 2.12 C ATOM 0 H LEU A 139 -11.411 -7.693 22.974 1.00 33.41 H new ATOM 0 HA LEU A 139 -13.980 -7.055 22.386 1.00 12.15 H new ATOM 0 HB2 LEU A 139 -11.284 -5.811 21.578 1.00 13.30 H new ATOM 0 HB3 LEU A 139 -12.771 -5.062 21.032 1.00 13.30 H new ATOM 0 HG LEU A 139 -12.118 -5.495 23.967 1.00 34.42 H new ATOM 0 HD11 LEU A 139 -11.530 -3.103 23.966 1.00 31.02 H new ATOM 0 HD12 LEU A 139 -10.450 -4.009 22.880 1.00 31.02 H new ATOM 0 HD13 LEU A 139 -11.773 -3.030 22.205 1.00 31.02 H new ATOM 0 HD21 LEU A 139 -13.967 -3.832 24.176 1.00 2.12 H new ATOM 0 HD22 LEU A 139 -14.120 -3.774 22.404 1.00 2.12 H new ATOM 0 HD23 LEU A 139 -14.528 -5.266 23.284 1.00 2.12 H new ATOM 2192 N LEU A 140 -12.030 -7.560 19.758 1.00 73.40 N ATOM 2193 CA LEU A 140 -12.022 -7.779 18.339 1.00 52.30 C ATOM 2194 C LEU A 140 -12.688 -9.100 17.965 1.00 11.41 C ATOM 2195 O LEU A 140 -13.471 -9.170 17.023 1.00 31.23 O ATOM 2196 CB LEU A 140 -10.601 -7.680 17.733 1.00 72.24 C ATOM 2197 CG LEU A 140 -9.926 -6.284 17.814 1.00 35.41 C ATOM 2198 CD1 LEU A 140 -8.625 -6.273 16.991 1.00 52.22 C ATOM 2199 CD2 LEU A 140 -10.806 -5.061 17.519 1.00 32.11 C ATOM 0 H LEU A 140 -11.117 -7.614 20.209 1.00 73.40 H new ATOM 0 HA LEU A 140 -12.613 -6.973 17.903 1.00 52.30 H new ATOM 0 HB2 LEU A 140 -9.960 -8.402 18.239 1.00 72.24 H new ATOM 0 HB3 LEU A 140 -10.652 -7.978 16.686 1.00 72.24 H new ATOM 0 HG LEU A 140 -9.705 -6.154 18.873 1.00 35.41 H new ATOM 0 HD11 LEU A 140 -8.162 -5.289 17.056 1.00 52.22 H new ATOM 0 HD12 LEU A 140 -7.939 -7.024 17.384 1.00 52.22 H new ATOM 0 HD13 LEU A 140 -8.852 -6.499 15.949 1.00 52.22 H new ATOM 0 HD21 LEU A 140 -10.210 -4.153 17.611 1.00 32.11 H new ATOM 0 HD22 LEU A 140 -11.203 -5.134 16.506 1.00 32.11 H new ATOM 0 HD23 LEU A 140 -11.631 -5.027 18.230 1.00 32.11 H new ATOM 2211 N ALA A 141 -12.453 -10.185 18.735 1.00 34.22 N ATOM 2212 CA ALA A 141 -13.119 -11.457 18.545 1.00 61.33 C ATOM 2213 C ALA A 141 -14.628 -11.380 18.694 1.00 53.00 C ATOM 2214 O ALA A 141 -15.347 -11.990 17.909 1.00 33.11 O ATOM 2215 CB ALA A 141 -12.581 -12.504 19.541 1.00 51.33 C ATOM 0 H ALA A 141 -11.787 -10.185 19.508 1.00 34.22 H new ATOM 0 HA ALA A 141 -12.902 -11.750 17.518 1.00 61.33 H new ATOM 0 HB1 ALA A 141 -13.093 -13.453 19.383 1.00 51.33 H new ATOM 0 HB2 ALA A 141 -11.511 -12.639 19.385 1.00 51.33 H new ATOM 0 HB3 ALA A 141 -12.758 -12.161 20.560 1.00 51.33 H new ATOM 2221 N ASP A 142 -15.152 -10.633 19.691 1.00 31.13 N ATOM 2222 CA ASP A 142 -16.579 -10.504 19.909 1.00 55.44 C ATOM 2223 C ASP A 142 -17.129 -9.229 19.264 1.00 2.42 C ATOM 2224 O ASP A 142 -18.075 -8.638 19.780 1.00 32.04 O ATOM 2225 CB ASP A 142 -16.845 -10.542 21.445 1.00 63.03 C ATOM 2226 CG ASP A 142 -18.306 -10.775 21.830 1.00 31.54 C ATOM 2227 OD1 ASP A 142 -18.794 -10.078 22.762 1.00 72.01 O ATOM 2228 OD2 ASP A 142 -18.925 -11.697 21.238 1.00 62.12 O ATOM 0 H ASP A 142 -14.584 -10.110 20.357 1.00 31.13 H new ATOM 0 HA ASP A 142 -17.103 -11.333 19.433 1.00 55.44 H new ATOM 0 HB2 ASP A 142 -16.236 -11.330 21.887 1.00 63.03 H new ATOM 0 HB3 ASP A 142 -16.513 -9.600 21.882 1.00 63.03 H new ATOM 2233 N THR A 143 -16.578 -8.757 18.116 1.00 23.52 N ATOM 2234 CA THR A 143 -17.084 -7.539 17.466 1.00 61.31 C ATOM 2235 C THR A 143 -18.548 -7.649 16.942 1.00 11.42 C ATOM 2236 O THR A 143 -18.887 -8.660 16.269 1.00 0.00 O ATOM 2237 CB THR A 143 -16.181 -7.010 16.338 1.00 45.12 C ATOM 2238 OG1 THR A 143 -16.671 -5.767 15.851 1.00 44.33 O ATOM 2239 CG2 THR A 143 -16.037 -7.977 15.145 1.00 14.22 C ATOM 2240 OXT THR A 143 -19.348 -6.721 17.246 1.00 0.00 O ATOM 0 H THR A 143 -15.795 -9.200 17.634 1.00 23.52 H new ATOM 0 HA THR A 143 -17.073 -6.817 18.282 1.00 61.31 H new ATOM 0 HB THR A 143 -15.195 -6.896 16.788 1.00 45.12 H new ATOM 0 HG1 THR A 143 -16.086 -5.442 15.135 1.00 44.33 H new ATOM 0 HG21 THR A 143 -15.386 -7.532 14.393 1.00 14.22 H new ATOM 0 HG22 THR A 143 -15.605 -8.917 15.489 1.00 14.22 H new ATOM 0 HG23 THR A 143 -17.018 -8.166 14.710 1.00 14.22 H new TER 2248 THR A 143