USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 932 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 ASN :FLIP amide:sc= 0.601 F(o=0.42,f=1.3) USER MOD Set 1.2: A 122 SER OG : rot 88:sc= 0.663 USER MOD Set 2.1: A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 17 MET CE :methyl 175:sc= -1.41! (180deg=-1.41!) USER MOD Set 2.3: A 113 HIS : no HE2:sc= -0.43 X(o=-1.8,f=-1.8) USER MOD Set 3.1: A 103 SER OG : rot -153:sc= 0.0416 USER MOD Set 3.2: A 105 THR OG1 : rot 180:sc= -0.147 USER MOD Set 3.3: A 106 SER OG : rot 180:sc= 0.463 USER MOD Set 4.1: A 95 THR OG1 : rot 174:sc= -0.234 USER MOD Set 4.2: A 97 TYR OH : rot 21:sc= 0.145 USER MOD Set 5.1: A 37 TYR OH : rot -100:sc= 1.11 USER MOD Set 5.2: A 49 HIS : no HD1:sc= -0.277 K(o=0.99,f=-3.4) USER MOD Set 5.3: A 77 HIS : no HD1:sc= 0.343 K(o=0.99,f=-4.2) USER MOD Set 5.4: A 78 MET CE :methyl 166:sc= -0.0286 (180deg=-0.276) USER MOD Set 5.5: A 81 MET CE :methyl 178:sc= -0.154 (180deg=-0.0116) USER MOD Set 6.1: A 33 TYR OH : rot -117:sc= 0.54 USER MOD Set 6.2: A 54 GLN : amide:sc= -0.034 X(o=0.51,f=0.36) USER MOD Set 7.1: A 31 THR OG1 : rot 180:sc= -0.143 USER MOD Set 7.2: A 93 LYS NZ :NH3+ 136:sc= -0.114 (180deg=-0.323) USER MOD Set 8.1: A 25 THR OG1 : rot 164:sc= 0.793 USER MOD Set 8.2: A 28 TYR OH : rot 180:sc= 0.207 USER MOD Set 8.3: A 98 MET CE :methyl 153:sc= 0 (180deg=-0.181) USER MOD Set 8.4: A 112 ASN :FLIP amide:sc= 0.705 F(o=0.3,f=1.9) USER MOD Set 8.5: A 114 LYS NZ :NH3+ 145:sc= 0.212 (180deg=0) USER MOD Single : A 1 MET CE :methyl -108:sc= -0.101 (180deg=-2.41!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -139:sc= -1.28 (180deg=-3.66!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.236 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 119:sc= -0.454 USER MOD Single : A 13 HIS : no HE2:sc= -0.281 X(o=-0.28,f=-0.4) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= -0.0431 (180deg=-0.196) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0465) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.024 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 36 SER OG : rot -54:sc= 0.402 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -69:sc= 0.127 USER MOD Single : A 41 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.0039) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0082 X(o=-0.0082,f=-0.081) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.135 K(o=-0.14,f=-3.6!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -71:sc= -0.551 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.162 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -68:sc= 0.129 USER MOD Single : A 109 LYS NZ :NH3+ -165:sc= 0.621 (180deg=0.401) USER MOD Single : A 111 LYS NZ :NH3+ 147:sc= 1.25 (180deg=0.399) USER MOD Single : A 117 THR OG1 : rot -74:sc= -1.06 USER MOD Single : A 124 LYS NZ :NH3+ 163:sc= 0.801 (180deg=0.611) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.349 17.042 -1.848 1.00 73.23 N ATOM 2 CA MET A 1 -4.906 16.579 -3.193 1.00 63.13 C ATOM 3 C MET A 1 -6.113 16.038 -3.992 1.00 31.43 C ATOM 4 O MET A 1 -6.746 15.060 -3.580 1.00 23.52 O ATOM 5 CB MET A 1 -3.808 15.493 -3.047 1.00 64.42 C ATOM 6 CG MET A 1 -3.174 15.042 -4.370 1.00 4.01 C ATOM 7 SD MET A 1 -2.277 16.373 -5.201 1.00 44.45 S ATOM 8 CE MET A 1 -0.960 16.720 -4.028 1.00 74.23 C ATOM 0 H1 MET A 1 -4.530 17.404 -1.318 1.00 73.23 H new ATOM 0 H2 MET A 1 -6.054 17.799 -1.956 1.00 73.23 H new ATOM 0 H3 MET A 1 -5.773 16.246 -1.329 1.00 73.23 H new ATOM 0 HA MET A 1 -4.484 17.422 -3.740 1.00 63.13 H new ATOM 0 HB2 MET A 1 -3.023 15.875 -2.395 1.00 64.42 H new ATOM 0 HB3 MET A 1 -4.239 14.623 -2.551 1.00 64.42 H new ATOM 0 HG2 MET A 1 -2.492 14.214 -4.178 1.00 4.01 H new ATOM 0 HG3 MET A 1 -3.954 14.666 -5.032 1.00 4.01 H new ATOM 0 HE1 MET A 1 -1.150 17.676 -3.540 1.00 74.23 H new ATOM 0 HE2 MET A 1 -0.924 15.930 -3.277 1.00 74.23 H new ATOM 0 HE3 MET A 1 -0.006 16.764 -4.554 1.00 74.23 H new ATOM 20 N LYS A 2 -6.433 16.689 -5.126 1.00 10.25 N ATOM 21 CA LYS A 2 -7.594 16.322 -5.966 1.00 23.34 C ATOM 22 C LYS A 2 -7.321 15.090 -6.853 1.00 63.31 C ATOM 23 O LYS A 2 -6.165 14.759 -7.167 1.00 32.11 O ATOM 24 CB LYS A 2 -8.009 17.511 -6.873 1.00 23.33 C ATOM 25 CG LYS A 2 -8.562 18.745 -6.134 1.00 71.24 C ATOM 26 CD LYS A 2 -9.015 19.889 -7.090 1.00 60.03 C ATOM 27 CE LYS A 2 -10.251 19.550 -7.971 1.00 54.33 C ATOM 28 NZ LYS A 2 -9.961 18.559 -9.048 1.00 64.52 N ATOM 0 H LYS A 2 -5.899 17.480 -5.486 1.00 10.25 H new ATOM 0 HA LYS A 2 -8.401 16.071 -5.278 1.00 23.34 H new ATOM 0 HB2 LYS A 2 -7.143 17.818 -7.460 1.00 23.33 H new ATOM 0 HB3 LYS A 2 -8.764 17.162 -7.578 1.00 23.33 H new ATOM 0 HG2 LYS A 2 -9.408 18.441 -5.517 1.00 71.24 H new ATOM 0 HG3 LYS A 2 -7.797 19.128 -5.459 1.00 71.24 H new ATOM 0 HD2 LYS A 2 -9.242 20.773 -6.494 1.00 60.03 H new ATOM 0 HD3 LYS A 2 -8.182 20.150 -7.742 1.00 60.03 H new ATOM 0 HE2 LYS A 2 -11.045 19.160 -7.334 1.00 54.33 H new ATOM 0 HE3 LYS A 2 -10.627 20.467 -8.424 1.00 54.33 H new ATOM 0 HZ1 LYS A 2 -10.444 18.846 -9.923 1.00 64.52 H new ATOM 0 HZ2 LYS A 2 -8.935 18.519 -9.216 1.00 64.52 H new ATOM 0 HZ3 LYS A 2 -10.301 17.620 -8.757 1.00 64.52 H new ATOM 42 N VAL A 3 -8.411 14.407 -7.239 1.00 44.30 N ATOM 43 CA VAL A 3 -8.388 13.407 -8.314 1.00 21.23 C ATOM 44 C VAL A 3 -8.131 14.112 -9.677 1.00 54.04 C ATOM 45 O VAL A 3 -8.879 15.013 -10.075 1.00 53.34 O ATOM 46 CB VAL A 3 -9.730 12.587 -8.356 1.00 65.34 C ATOM 47 CG1 VAL A 3 -9.707 11.515 -9.468 1.00 51.55 C ATOM 48 CG2 VAL A 3 -10.034 11.944 -6.977 1.00 61.04 C ATOM 0 H VAL A 3 -9.330 14.533 -6.815 1.00 44.30 H new ATOM 0 HA VAL A 3 -7.580 12.703 -8.118 1.00 21.23 H new ATOM 0 HB VAL A 3 -10.532 13.288 -8.589 1.00 65.34 H new ATOM 0 HG11 VAL A 3 -10.650 10.969 -9.466 1.00 51.55 H new ATOM 0 HG12 VAL A 3 -9.569 11.997 -10.436 1.00 51.55 H new ATOM 0 HG13 VAL A 3 -8.886 10.821 -9.288 1.00 51.55 H new ATOM 0 HG21 VAL A 3 -10.967 11.383 -7.035 1.00 61.04 H new ATOM 0 HG22 VAL A 3 -9.222 11.270 -6.703 1.00 61.04 H new ATOM 0 HG23 VAL A 3 -10.127 12.726 -6.223 1.00 61.04 H new ATOM 58 N GLY A 4 -7.069 13.685 -10.362 1.00 5.54 N ATOM 59 CA GLY A 4 -6.622 14.303 -11.623 1.00 15.32 C ATOM 60 C GLY A 4 -5.353 15.149 -11.475 1.00 31.33 C ATOM 61 O GLY A 4 -4.779 15.588 -12.480 1.00 50.42 O ATOM 0 H GLY A 4 -6.490 12.900 -10.062 1.00 5.54 H new ATOM 0 HA2 GLY A 4 -6.442 13.519 -12.359 1.00 15.32 H new ATOM 0 HA3 GLY A 4 -7.423 14.930 -12.015 1.00 15.32 H new ATOM 65 N SER A 5 -4.909 15.378 -10.220 1.00 4.53 N ATOM 66 CA SER A 5 -3.711 16.202 -9.922 1.00 13.13 C ATOM 67 C SER A 5 -2.397 15.445 -10.251 1.00 35.43 C ATOM 68 O SER A 5 -2.244 14.273 -9.914 1.00 20.12 O ATOM 69 CB SER A 5 -3.712 16.640 -8.436 1.00 43.34 C ATOM 70 OG SER A 5 -4.859 17.424 -8.127 1.00 55.15 O ATOM 0 H SER A 5 -5.365 15.001 -9.389 1.00 4.53 H new ATOM 0 HA SER A 5 -3.756 17.086 -10.558 1.00 13.13 H new ATOM 0 HB2 SER A 5 -3.688 15.759 -7.795 1.00 43.34 H new ATOM 0 HB3 SER A 5 -2.810 17.213 -8.223 1.00 43.34 H new ATOM 0 HG SER A 5 -4.833 17.684 -7.182 1.00 55.15 H new ATOM 76 N GLN A 6 -1.449 16.151 -10.886 1.00 22.12 N ATOM 77 CA GLN A 6 -0.150 15.585 -11.326 1.00 4.45 C ATOM 78 C GLN A 6 0.923 15.839 -10.239 1.00 2.43 C ATOM 79 O GLN A 6 1.124 16.981 -9.815 1.00 32.14 O ATOM 80 CB GLN A 6 0.242 16.212 -12.692 1.00 44.11 C ATOM 81 CG GLN A 6 -0.816 15.978 -13.799 1.00 12.33 C ATOM 82 CD GLN A 6 -0.555 16.760 -15.086 1.00 21.40 C ATOM 83 OE1 GLN A 6 0.088 16.279 -16.009 1.00 21.44 O ATOM 84 NE2 GLN A 6 -1.050 17.981 -15.151 1.00 1.23 N ATOM 0 H GLN A 6 -1.556 17.139 -11.114 1.00 22.12 H new ATOM 0 HA GLN A 6 -0.229 14.506 -11.461 1.00 4.45 H new ATOM 0 HB2 GLN A 6 0.391 17.284 -12.563 1.00 44.11 H new ATOM 0 HB3 GLN A 6 1.195 15.794 -13.016 1.00 44.11 H new ATOM 0 HG2 GLN A 6 -0.852 14.914 -14.034 1.00 12.33 H new ATOM 0 HG3 GLN A 6 -1.798 16.252 -13.412 1.00 12.33 H new ATOM 0 HE21 GLN A 6 -1.583 18.358 -14.367 1.00 1.23 H new ATOM 0 HE22 GLN A 6 -0.900 18.548 -15.985 1.00 1.23 H new ATOM 93 N VAL A 7 1.591 14.762 -9.775 1.00 32.10 N ATOM 94 CA VAL A 7 2.469 14.798 -8.577 1.00 22.20 C ATOM 95 C VAL A 7 3.854 14.147 -8.832 1.00 14.12 C ATOM 96 O VAL A 7 4.006 13.280 -9.687 1.00 23.32 O ATOM 97 CB VAL A 7 1.773 14.082 -7.346 1.00 3.11 C ATOM 98 CG1 VAL A 7 0.505 14.847 -6.890 1.00 41.12 C ATOM 99 CG2 VAL A 7 1.435 12.601 -7.661 1.00 41.23 C ATOM 0 H VAL A 7 1.540 13.844 -10.216 1.00 32.10 H new ATOM 0 HA VAL A 7 2.631 15.852 -8.349 1.00 22.20 H new ATOM 0 HB VAL A 7 2.489 14.093 -6.524 1.00 3.11 H new ATOM 0 HG11 VAL A 7 0.052 14.329 -6.044 1.00 41.12 H new ATOM 0 HG12 VAL A 7 0.778 15.859 -6.592 1.00 41.12 H new ATOM 0 HG13 VAL A 7 -0.209 14.891 -7.713 1.00 41.12 H new ATOM 0 HG21 VAL A 7 0.959 12.144 -6.793 1.00 41.23 H new ATOM 0 HG22 VAL A 7 0.756 12.556 -8.513 1.00 41.23 H new ATOM 0 HG23 VAL A 7 2.352 12.061 -7.899 1.00 41.23 H new ATOM 109 N ILE A 8 4.858 14.603 -8.063 1.00 65.54 N ATOM 110 CA ILE A 8 6.217 14.016 -8.016 1.00 25.11 C ATOM 111 C ILE A 8 6.344 13.070 -6.787 1.00 65.21 C ATOM 112 O ILE A 8 6.076 13.479 -5.650 1.00 24.12 O ATOM 113 CB ILE A 8 7.306 15.156 -7.923 1.00 51.04 C ATOM 114 CG1 ILE A 8 7.116 16.213 -9.068 1.00 2.42 C ATOM 115 CG2 ILE A 8 8.751 14.570 -7.928 1.00 65.42 C ATOM 116 CD1 ILE A 8 7.336 15.679 -10.476 1.00 63.55 C ATOM 0 H ILE A 8 4.750 15.406 -7.443 1.00 65.54 H new ATOM 0 HA ILE A 8 6.381 13.445 -8.930 1.00 25.11 H new ATOM 0 HB ILE A 8 7.166 15.667 -6.970 1.00 51.04 H new ATOM 0 HG12 ILE A 8 6.107 16.620 -9.003 1.00 2.42 H new ATOM 0 HG13 ILE A 8 7.805 17.040 -8.897 1.00 2.42 H new ATOM 0 HG21 ILE A 8 9.474 15.383 -7.863 1.00 65.42 H new ATOM 0 HG22 ILE A 8 8.876 13.904 -7.074 1.00 65.42 H new ATOM 0 HG23 ILE A 8 8.914 14.013 -8.850 1.00 65.42 H new ATOM 0 HD11 ILE A 8 7.183 16.481 -11.198 1.00 63.55 H new ATOM 0 HD12 ILE A 8 8.354 15.300 -10.566 1.00 63.55 H new ATOM 0 HD13 ILE A 8 6.629 14.873 -10.674 1.00 63.55 H new ATOM 128 N ILE A 9 6.746 11.809 -7.022 1.00 55.54 N ATOM 129 CA ILE A 9 6.838 10.775 -5.962 1.00 33.34 C ATOM 130 C ILE A 9 8.224 10.817 -5.252 1.00 70.50 C ATOM 131 O ILE A 9 9.268 10.741 -5.906 1.00 21.41 O ATOM 132 CB ILE A 9 6.587 9.348 -6.576 1.00 21.54 C ATOM 133 CG1 ILE A 9 5.270 9.341 -7.432 1.00 34.24 C ATOM 134 CG2 ILE A 9 6.547 8.261 -5.470 1.00 40.45 C ATOM 135 CD1 ILE A 9 4.976 8.034 -8.154 1.00 22.24 C ATOM 0 H ILE A 9 7.017 11.473 -7.946 1.00 55.54 H new ATOM 0 HA ILE A 9 6.071 10.985 -5.217 1.00 33.34 H new ATOM 0 HB ILE A 9 7.421 9.109 -7.236 1.00 21.54 H new ATOM 0 HG12 ILE A 9 4.429 9.574 -6.779 1.00 34.24 H new ATOM 0 HG13 ILE A 9 5.331 10.140 -8.171 1.00 34.24 H new ATOM 0 HG21 ILE A 9 6.372 7.286 -5.924 1.00 40.45 H new ATOM 0 HG22 ILE A 9 7.498 8.248 -4.938 1.00 40.45 H new ATOM 0 HG23 ILE A 9 5.742 8.484 -4.769 1.00 40.45 H new ATOM 0 HD11 ILE A 9 4.047 8.130 -8.717 1.00 22.24 H new ATOM 0 HD12 ILE A 9 5.793 7.805 -8.838 1.00 22.24 H new ATOM 0 HD13 ILE A 9 4.877 7.230 -7.425 1.00 22.24 H new ATOM 147 N ASN A 10 8.216 10.944 -3.910 1.00 70.34 N ATOM 148 CA ASN A 10 9.456 11.044 -3.088 1.00 0.21 C ATOM 149 C ASN A 10 9.823 9.676 -2.467 1.00 44.44 C ATOM 150 O ASN A 10 10.919 9.152 -2.691 1.00 21.32 O ATOM 151 CB ASN A 10 9.263 12.109 -1.979 1.00 55.42 C ATOM 152 CG ASN A 10 8.890 13.471 -2.558 1.00 74.35 C ATOM 153 OD1 ASN A 10 7.611 13.681 -2.785 1.00 44.41 O flip ATOM 154 ND2 ASN A 10 9.744 14.312 -2.827 1.00 33.32 N flip ATOM 0 H ASN A 10 7.358 10.981 -3.360 1.00 70.34 H new ATOM 0 HA ASN A 10 10.279 11.347 -3.736 1.00 0.21 H new ATOM 0 HB2 ASN A 10 8.483 11.781 -1.292 1.00 55.42 H new ATOM 0 HB3 ASN A 10 10.181 12.200 -1.399 1.00 55.42 H new ATOM 0 HD21 ASN A 10 10.728 14.118 -2.639 1.00 33.32 H new ATOM 0 HD22 ASN A 10 9.470 15.204 -3.239 1.00 33.32 H new ATOM 161 N THR A 11 8.893 9.124 -1.667 1.00 20.12 N ATOM 162 CA THR A 11 9.005 7.760 -1.094 1.00 10.24 C ATOM 163 C THR A 11 8.271 6.762 -2.002 1.00 15.25 C ATOM 164 O THR A 11 7.236 7.096 -2.582 1.00 33.42 O ATOM 165 CB THR A 11 8.417 7.699 0.366 1.00 32.54 C ATOM 166 OG1 THR A 11 9.226 8.494 1.244 1.00 1.50 O ATOM 167 CG2 THR A 11 8.324 6.262 0.927 1.00 32.30 C ATOM 0 H THR A 11 8.038 9.609 -1.396 1.00 20.12 H new ATOM 0 HA THR A 11 10.061 7.497 -1.036 1.00 10.24 H new ATOM 0 HB THR A 11 7.401 8.089 0.310 1.00 32.54 H new ATOM 0 HG1 THR A 11 8.858 8.456 2.151 1.00 1.50 H new ATOM 0 HG21 THR A 11 7.911 6.291 1.935 1.00 32.30 H new ATOM 0 HG22 THR A 11 7.676 5.663 0.287 1.00 32.30 H new ATOM 0 HG23 THR A 11 9.319 5.817 0.955 1.00 32.30 H new ATOM 175 N SER A 12 8.805 5.536 -2.120 1.00 71.51 N ATOM 176 CA SER A 12 8.202 4.487 -2.958 1.00 54.40 C ATOM 177 C SER A 12 8.488 3.084 -2.400 1.00 33.54 C ATOM 178 O SER A 12 9.567 2.821 -1.852 1.00 41.03 O ATOM 179 CB SER A 12 8.736 4.585 -4.396 1.00 44.51 C ATOM 180 OG SER A 12 10.096 4.198 -4.484 1.00 24.33 O ATOM 0 H SER A 12 9.658 5.246 -1.643 1.00 71.51 H new ATOM 0 HA SER A 12 7.123 4.643 -2.954 1.00 54.40 H new ATOM 0 HB2 SER A 12 8.136 3.952 -5.050 1.00 44.51 H new ATOM 0 HB3 SER A 12 8.626 5.608 -4.755 1.00 44.51 H new ATOM 0 HG SER A 12 10.178 3.422 -5.076 1.00 24.33 H new ATOM 186 N HIS A 13 7.501 2.190 -2.551 1.00 60.21 N ATOM 187 CA HIS A 13 7.624 0.759 -2.193 1.00 71.51 C ATOM 188 C HIS A 13 8.083 -0.069 -3.420 1.00 63.54 C ATOM 189 O HIS A 13 8.671 -1.143 -3.272 1.00 24.10 O ATOM 190 CB HIS A 13 6.273 0.263 -1.625 1.00 21.02 C ATOM 191 CG HIS A 13 5.810 1.095 -0.446 1.00 62.35 C ATOM 192 ND1 HIS A 13 6.298 0.874 0.820 1.00 2.31 N ATOM 193 CD2 HIS A 13 4.966 2.161 -0.406 1.00 50.33 C ATOM 194 CE1 HIS A 13 5.751 1.797 1.587 1.00 74.01 C ATOM 195 NE2 HIS A 13 4.938 2.593 0.888 1.00 35.22 N ATOM 0 H HIS A 13 6.585 2.436 -2.927 1.00 60.21 H new ATOM 0 HA HIS A 13 8.386 0.630 -1.424 1.00 71.51 H new ATOM 0 HB2 HIS A 13 5.517 0.295 -2.410 1.00 21.02 H new ATOM 0 HB3 HIS A 13 6.370 -0.778 -1.318 1.00 21.02 H new ATOM 0 HD1 HIS A 13 6.950 0.145 1.108 1.00 2.31 H new ATOM 0 HD2 HIS A 13 4.423 2.584 -1.238 1.00 50.33 H new ATOM 0 HE1 HIS A 13 5.937 1.896 2.646 1.00 74.01 H new ATOM 203 N MET A 14 7.806 0.456 -4.636 1.00 25.55 N ATOM 204 CA MET A 14 8.362 -0.073 -5.908 1.00 43.53 C ATOM 205 C MET A 14 9.619 0.746 -6.298 1.00 71.40 C ATOM 206 O MET A 14 9.591 1.977 -6.238 1.00 20.43 O ATOM 207 CB MET A 14 7.303 -0.002 -7.043 1.00 2.54 C ATOM 208 CG MET A 14 6.012 -0.776 -6.749 1.00 45.15 C ATOM 209 SD MET A 14 6.312 -2.518 -6.369 1.00 62.04 S ATOM 210 CE MET A 14 4.645 -3.139 -6.113 1.00 13.24 C ATOM 0 H MET A 14 7.190 1.259 -4.765 1.00 25.55 H new ATOM 0 HA MET A 14 8.637 -1.118 -5.767 1.00 43.53 H new ATOM 0 HB2 MET A 14 7.053 1.043 -7.226 1.00 2.54 H new ATOM 0 HB3 MET A 14 7.745 -0.390 -7.961 1.00 2.54 H new ATOM 0 HG2 MET A 14 5.497 -0.309 -5.910 1.00 45.15 H new ATOM 0 HG3 MET A 14 5.347 -0.706 -7.610 1.00 45.15 H new ATOM 0 HE1 MET A 14 4.685 -4.201 -5.872 1.00 13.24 H new ATOM 0 HE2 MET A 14 4.177 -2.598 -5.291 1.00 13.24 H new ATOM 0 HE3 MET A 14 4.060 -2.995 -7.021 1.00 13.24 H new ATOM 220 N LYS A 15 10.705 0.057 -6.700 1.00 51.11 N ATOM 221 CA LYS A 15 12.019 0.689 -7.007 1.00 23.34 C ATOM 222 C LYS A 15 11.925 1.752 -8.141 1.00 10.22 C ATOM 223 O LYS A 15 12.479 2.853 -8.025 1.00 63.23 O ATOM 224 CB LYS A 15 13.045 -0.420 -7.372 1.00 5.55 C ATOM 225 CG LYS A 15 14.476 0.084 -7.665 1.00 44.24 C ATOM 226 CD LYS A 15 15.470 -1.058 -7.981 1.00 70.13 C ATOM 227 CE LYS A 15 16.897 -0.538 -8.238 1.00 33.23 C ATOM 228 NZ LYS A 15 17.422 0.260 -7.093 1.00 71.34 N ATOM 0 H LYS A 15 10.704 -0.955 -6.824 1.00 51.11 H new ATOM 0 HA LYS A 15 12.351 1.224 -6.117 1.00 23.34 H new ATOM 0 HB2 LYS A 15 13.089 -1.137 -6.552 1.00 5.55 H new ATOM 0 HB3 LYS A 15 12.680 -0.958 -8.247 1.00 5.55 H new ATOM 0 HG2 LYS A 15 14.446 0.775 -8.508 1.00 44.24 H new ATOM 0 HG3 LYS A 15 14.840 0.646 -6.805 1.00 44.24 H new ATOM 0 HD2 LYS A 15 15.487 -1.762 -7.149 1.00 70.13 H new ATOM 0 HD3 LYS A 15 15.123 -1.607 -8.856 1.00 70.13 H new ATOM 0 HE2 LYS A 15 17.561 -1.382 -8.425 1.00 33.23 H new ATOM 0 HE3 LYS A 15 16.901 0.076 -9.139 1.00 33.23 H new ATOM 0 HZ1 LYS A 15 18.439 0.430 -7.226 1.00 71.34 H new ATOM 0 HZ2 LYS A 15 16.922 1.171 -7.046 1.00 71.34 H new ATOM 0 HZ3 LYS A 15 17.272 -0.264 -6.207 1.00 71.34 H new ATOM 242 N GLY A 16 11.195 1.416 -9.222 1.00 54.45 N ATOM 243 CA GLY A 16 11.003 2.330 -10.366 1.00 5.15 C ATOM 244 C GLY A 16 10.000 3.471 -10.122 1.00 31.04 C ATOM 245 O GLY A 16 9.791 4.312 -10.997 1.00 63.02 O ATOM 0 H GLY A 16 10.727 0.516 -9.327 1.00 54.45 H new ATOM 0 HA2 GLY A 16 11.967 2.764 -10.632 1.00 5.15 H new ATOM 0 HA3 GLY A 16 10.668 1.748 -11.225 1.00 5.15 H new ATOM 249 N MET A 17 9.401 3.529 -8.925 1.00 2.23 N ATOM 250 CA MET A 17 8.364 4.535 -8.596 1.00 63.42 C ATOM 251 C MET A 17 8.993 5.805 -7.968 1.00 63.51 C ATOM 252 O MET A 17 8.428 6.902 -8.073 1.00 21.00 O ATOM 253 CB MET A 17 7.289 3.893 -7.673 1.00 5.21 C ATOM 254 CG MET A 17 6.143 4.830 -7.268 1.00 45.31 C ATOM 255 SD MET A 17 4.692 3.976 -6.618 1.00 54.31 S ATOM 256 CE MET A 17 5.353 3.123 -5.198 1.00 71.02 C ATOM 0 H MET A 17 9.614 2.890 -8.159 1.00 2.23 H new ATOM 0 HA MET A 17 7.874 4.857 -9.515 1.00 63.42 H new ATOM 0 HB2 MET A 17 6.867 3.025 -8.180 1.00 5.21 H new ATOM 0 HB3 MET A 17 7.778 3.528 -6.769 1.00 5.21 H new ATOM 0 HG2 MET A 17 6.508 5.529 -6.516 1.00 45.31 H new ATOM 0 HG3 MET A 17 5.846 5.420 -8.135 1.00 45.31 H new ATOM 0 HE1 MET A 17 4.543 2.632 -4.659 1.00 71.02 H new ATOM 0 HE2 MET A 17 6.076 2.376 -5.526 1.00 71.02 H new ATOM 0 HE3 MET A 17 5.845 3.839 -4.540 1.00 71.02 H new ATOM 266 N LYS A 18 10.181 5.656 -7.349 1.00 10.15 N ATOM 267 CA LYS A 18 10.906 6.783 -6.715 1.00 3.30 C ATOM 268 C LYS A 18 11.396 7.805 -7.775 1.00 70.32 C ATOM 269 O LYS A 18 12.121 7.449 -8.713 1.00 63.13 O ATOM 270 CB LYS A 18 12.103 6.252 -5.877 1.00 14.15 C ATOM 271 CG LYS A 18 12.734 7.298 -4.929 1.00 73.11 C ATOM 272 CD LYS A 18 13.936 6.744 -4.125 1.00 2.32 C ATOM 273 CE LYS A 18 14.483 7.752 -3.095 1.00 11.22 C ATOM 274 NZ LYS A 18 14.901 9.032 -3.732 1.00 61.44 N ATOM 0 H LYS A 18 10.664 4.761 -7.273 1.00 10.15 H new ATOM 0 HA LYS A 18 10.212 7.298 -6.050 1.00 3.30 H new ATOM 0 HB2 LYS A 18 11.767 5.400 -5.286 1.00 14.15 H new ATOM 0 HB3 LYS A 18 12.872 5.885 -6.557 1.00 14.15 H new ATOM 0 HG2 LYS A 18 13.061 8.158 -5.513 1.00 73.11 H new ATOM 0 HG3 LYS A 18 11.974 7.655 -4.234 1.00 73.11 H new ATOM 0 HD2 LYS A 18 13.633 5.833 -3.609 1.00 2.32 H new ATOM 0 HD3 LYS A 18 14.733 6.469 -4.816 1.00 2.32 H new ATOM 0 HE2 LYS A 18 13.719 7.954 -2.344 1.00 11.22 H new ATOM 0 HE3 LYS A 18 15.333 7.312 -2.574 1.00 11.22 H new ATOM 0 HZ1 LYS A 18 15.325 9.655 -3.015 1.00 61.44 H new ATOM 0 HZ2 LYS A 18 15.600 8.837 -4.477 1.00 61.44 H new ATOM 0 HZ3 LYS A 18 14.071 9.499 -4.149 1.00 61.44 H new ATOM 288 N GLY A 19 10.954 9.065 -7.622 1.00 60.11 N ATOM 289 CA GLY A 19 11.328 10.162 -8.533 1.00 1.51 C ATOM 290 C GLY A 19 10.491 10.229 -9.818 1.00 52.24 C ATOM 291 O GLY A 19 10.741 11.084 -10.677 1.00 45.34 O ATOM 0 H GLY A 19 10.330 9.351 -6.867 1.00 60.11 H new ATOM 0 HA2 GLY A 19 11.232 11.109 -8.001 1.00 1.51 H new ATOM 0 HA3 GLY A 19 12.378 10.052 -8.803 1.00 1.51 H new ATOM 295 N ALA A 20 9.505 9.324 -9.957 1.00 23.23 N ATOM 296 CA ALA A 20 8.592 9.298 -11.121 1.00 54.42 C ATOM 297 C ALA A 20 7.511 10.399 -11.009 1.00 1.51 C ATOM 298 O ALA A 20 7.063 10.731 -9.906 1.00 72.53 O ATOM 299 CB ALA A 20 7.944 7.908 -11.246 1.00 11.12 C ATOM 0 H ALA A 20 9.317 8.593 -9.271 1.00 23.23 H new ATOM 0 HA ALA A 20 9.174 9.499 -12.021 1.00 54.42 H new ATOM 0 HB1 ALA A 20 7.273 7.895 -12.105 1.00 11.12 H new ATOM 0 HB2 ALA A 20 8.721 7.155 -11.381 1.00 11.12 H new ATOM 0 HB3 ALA A 20 7.379 7.687 -10.341 1.00 11.12 H new ATOM 305 N GLU A 21 7.097 10.955 -12.159 1.00 25.22 N ATOM 306 CA GLU A 21 6.039 11.989 -12.213 1.00 1.11 C ATOM 307 C GLU A 21 4.681 11.317 -12.516 1.00 65.42 C ATOM 308 O GLU A 21 4.389 10.958 -13.663 1.00 53.53 O ATOM 309 CB GLU A 21 6.386 13.070 -13.272 1.00 24.25 C ATOM 310 CG GLU A 21 5.399 14.259 -13.327 1.00 34.05 C ATOM 311 CD GLU A 21 5.839 15.352 -14.316 1.00 1.31 C ATOM 312 OE1 GLU A 21 5.522 15.240 -15.518 1.00 21.42 O ATOM 313 OE2 GLU A 21 6.524 16.316 -13.900 1.00 63.23 O ATOM 0 H GLU A 21 7.479 10.707 -13.072 1.00 25.22 H new ATOM 0 HA GLU A 21 5.971 12.490 -11.248 1.00 1.11 H new ATOM 0 HB2 GLU A 21 7.385 13.454 -13.066 1.00 24.25 H new ATOM 0 HB3 GLU A 21 6.422 12.599 -14.254 1.00 24.25 H new ATOM 0 HG2 GLU A 21 4.412 13.894 -13.611 1.00 34.05 H new ATOM 0 HG3 GLU A 21 5.304 14.693 -12.332 1.00 34.05 H new ATOM 320 N ALA A 22 3.885 11.106 -11.460 1.00 51.54 N ATOM 321 CA ALA A 22 2.584 10.421 -11.541 1.00 4.50 C ATOM 322 C ALA A 22 1.409 11.397 -11.781 1.00 31.22 C ATOM 323 O ALA A 22 1.577 12.617 -11.821 1.00 20.34 O ATOM 324 CB ALA A 22 2.351 9.616 -10.250 1.00 30.44 C ATOM 0 H ALA A 22 4.126 11.408 -10.516 1.00 51.54 H new ATOM 0 HA ALA A 22 2.616 9.753 -12.402 1.00 4.50 H new ATOM 0 HB1 ALA A 22 1.388 9.108 -10.307 1.00 30.44 H new ATOM 0 HB2 ALA A 22 3.145 8.878 -10.133 1.00 30.44 H new ATOM 0 HB3 ALA A 22 2.355 10.291 -9.394 1.00 30.44 H new ATOM 330 N THR A 23 0.216 10.812 -11.946 1.00 40.01 N ATOM 331 CA THR A 23 -1.071 11.537 -11.966 1.00 31.10 C ATOM 332 C THR A 23 -2.083 10.742 -11.114 1.00 52.22 C ATOM 333 O THR A 23 -2.119 9.514 -11.178 1.00 33.22 O ATOM 334 CB THR A 23 -1.628 11.729 -13.423 1.00 24.24 C ATOM 335 OG1 THR A 23 -0.656 12.412 -14.241 1.00 62.53 O ATOM 336 CG2 THR A 23 -2.949 12.530 -13.446 1.00 72.32 C ATOM 0 H THR A 23 0.111 9.805 -12.072 1.00 40.01 H new ATOM 0 HA THR A 23 -0.914 12.535 -11.558 1.00 31.10 H new ATOM 0 HB THR A 23 -1.827 10.733 -13.818 1.00 24.24 H new ATOM 0 HG1 THR A 23 -1.012 12.525 -15.147 1.00 62.53 H new ATOM 0 HG21 THR A 23 -3.293 12.635 -14.475 1.00 72.32 H new ATOM 0 HG22 THR A 23 -3.704 12.003 -12.863 1.00 72.32 H new ATOM 0 HG23 THR A 23 -2.783 13.518 -13.016 1.00 72.32 H new ATOM 344 N VAL A 24 -2.890 11.447 -10.316 1.00 4.10 N ATOM 345 CA VAL A 24 -3.861 10.825 -9.395 1.00 32.31 C ATOM 346 C VAL A 24 -5.173 10.474 -10.148 1.00 70.22 C ATOM 347 O VAL A 24 -5.734 11.314 -10.846 1.00 61.12 O ATOM 348 CB VAL A 24 -4.166 11.776 -8.173 1.00 44.52 C ATOM 349 CG1 VAL A 24 -5.220 11.167 -7.213 1.00 70.01 C ATOM 350 CG2 VAL A 24 -2.863 12.134 -7.408 1.00 53.30 C ATOM 0 H VAL A 24 -2.893 12.467 -10.286 1.00 4.10 H new ATOM 0 HA VAL A 24 -3.423 9.905 -9.009 1.00 32.31 H new ATOM 0 HB VAL A 24 -4.589 12.695 -8.579 1.00 44.52 H new ATOM 0 HG11 VAL A 24 -5.400 11.855 -6.386 1.00 70.01 H new ATOM 0 HG12 VAL A 24 -6.151 10.999 -7.754 1.00 70.01 H new ATOM 0 HG13 VAL A 24 -4.851 10.219 -6.822 1.00 70.01 H new ATOM 0 HG21 VAL A 24 -3.101 12.790 -6.571 1.00 53.30 H new ATOM 0 HG22 VAL A 24 -2.399 11.222 -7.033 1.00 53.30 H new ATOM 0 HG23 VAL A 24 -2.173 12.642 -8.082 1.00 53.30 H new ATOM 360 N THR A 25 -5.614 9.216 -10.050 1.00 30.42 N ATOM 361 CA THR A 25 -6.945 8.774 -10.545 1.00 52.35 C ATOM 362 C THR A 25 -7.881 8.347 -9.393 1.00 61.50 C ATOM 363 O THR A 25 -9.042 8.000 -9.646 1.00 4.02 O ATOM 364 CB THR A 25 -6.821 7.609 -11.588 1.00 60.11 C ATOM 365 OG1 THR A 25 -5.877 6.625 -11.118 1.00 54.35 O ATOM 366 CG2 THR A 25 -6.412 8.122 -12.985 1.00 55.11 C ATOM 0 H THR A 25 -5.067 8.466 -9.627 1.00 30.42 H new ATOM 0 HA THR A 25 -7.386 9.639 -11.041 1.00 52.35 H new ATOM 0 HB THR A 25 -7.804 7.149 -11.688 1.00 60.11 H new ATOM 0 HG1 THR A 25 -5.993 5.793 -11.622 1.00 54.35 H new ATOM 0 HG21 THR A 25 -6.338 7.281 -13.674 1.00 55.11 H new ATOM 0 HG22 THR A 25 -7.162 8.825 -13.349 1.00 55.11 H new ATOM 0 HG23 THR A 25 -5.446 8.623 -12.920 1.00 55.11 H new ATOM 374 N GLY A 26 -7.400 8.377 -8.130 1.00 51.22 N ATOM 375 CA GLY A 26 -8.256 8.070 -6.973 1.00 11.52 C ATOM 376 C GLY A 26 -7.730 8.667 -5.664 1.00 75.34 C ATOM 377 O GLY A 26 -6.534 8.598 -5.384 1.00 75.24 O ATOM 0 H GLY A 26 -6.435 8.608 -7.892 1.00 51.22 H new ATOM 0 HA2 GLY A 26 -9.261 8.449 -7.161 1.00 11.52 H new ATOM 0 HA3 GLY A 26 -8.338 6.988 -6.866 1.00 11.52 H new ATOM 381 N ALA A 27 -8.637 9.257 -4.867 1.00 20.04 N ATOM 382 CA ALA A 27 -8.329 9.790 -3.521 1.00 62.23 C ATOM 383 C ALA A 27 -9.177 9.051 -2.459 1.00 34.30 C ATOM 384 O ALA A 27 -10.399 9.239 -2.387 1.00 30.21 O ATOM 385 CB ALA A 27 -8.580 11.312 -3.470 1.00 24.00 C ATOM 0 H ALA A 27 -9.613 9.380 -5.137 1.00 20.04 H new ATOM 0 HA ALA A 27 -7.275 9.620 -3.303 1.00 62.23 H new ATOM 0 HB1 ALA A 27 -8.348 11.686 -2.473 1.00 24.00 H new ATOM 0 HB2 ALA A 27 -7.944 11.810 -4.201 1.00 24.00 H new ATOM 0 HB3 ALA A 27 -9.626 11.516 -3.700 1.00 24.00 H new ATOM 391 N TYR A 28 -8.523 8.185 -1.664 1.00 62.43 N ATOM 392 CA TYR A 28 -9.191 7.331 -0.655 1.00 73.10 C ATOM 393 C TYR A 28 -8.860 7.817 0.778 1.00 4.11 C ATOM 394 O TYR A 28 -7.691 7.864 1.170 1.00 2.24 O ATOM 395 CB TYR A 28 -8.736 5.852 -0.818 1.00 52.04 C ATOM 396 CG TYR A 28 -9.040 5.194 -2.183 1.00 30.33 C ATOM 397 CD1 TYR A 28 -8.387 5.600 -3.357 1.00 54.42 C ATOM 398 CD2 TYR A 28 -9.944 4.129 -2.289 1.00 54.34 C ATOM 399 CE1 TYR A 28 -8.623 4.970 -4.569 1.00 4.24 C ATOM 400 CE2 TYR A 28 -10.185 3.504 -3.498 1.00 44.13 C ATOM 401 CZ TYR A 28 -9.523 3.924 -4.635 1.00 35.12 C ATOM 402 OH TYR A 28 -9.749 3.288 -5.841 1.00 73.42 O ATOM 0 H TYR A 28 -7.512 8.054 -1.701 1.00 62.43 H new ATOM 0 HA TYR A 28 -10.268 7.399 -0.811 1.00 73.10 H new ATOM 0 HB2 TYR A 28 -7.661 5.803 -0.645 1.00 52.04 H new ATOM 0 HB3 TYR A 28 -9.212 5.259 -0.037 1.00 52.04 H new ATOM 0 HD1 TYR A 28 -7.686 6.420 -3.315 1.00 54.42 H new ATOM 0 HD2 TYR A 28 -10.464 3.789 -1.406 1.00 54.34 H new ATOM 0 HE1 TYR A 28 -8.105 5.296 -5.459 1.00 4.24 H new ATOM 0 HE2 TYR A 28 -10.890 2.688 -3.554 1.00 44.13 H new ATOM 0 HH TYR A 28 -10.409 2.574 -5.716 1.00 73.42 H new ATOM 412 N ASP A 29 -9.896 8.183 1.543 1.00 3.31 N ATOM 413 CA ASP A 29 -9.772 8.550 2.971 1.00 0.43 C ATOM 414 C ASP A 29 -10.217 7.341 3.834 1.00 45.22 C ATOM 415 O ASP A 29 -11.404 7.188 4.148 1.00 71.54 O ATOM 416 CB ASP A 29 -10.623 9.822 3.250 1.00 2.25 C ATOM 417 CG ASP A 29 -10.533 10.311 4.707 1.00 2.22 C ATOM 418 OD1 ASP A 29 -9.483 10.870 5.089 1.00 44.54 O ATOM 419 OD2 ASP A 29 -11.513 10.151 5.471 1.00 54.34 O ATOM 0 H ASP A 29 -10.852 8.235 1.192 1.00 3.31 H new ATOM 0 HA ASP A 29 -8.740 8.786 3.229 1.00 0.43 H new ATOM 0 HB2 ASP A 29 -10.296 10.622 2.585 1.00 2.25 H new ATOM 0 HB3 ASP A 29 -11.665 9.613 3.009 1.00 2.25 H new ATOM 424 N THR A 30 -9.266 6.426 4.124 1.00 13.43 N ATOM 425 CA THR A 30 -9.552 5.150 4.844 1.00 0.13 C ATOM 426 C THR A 30 -8.484 4.813 5.924 1.00 43.24 C ATOM 427 O THR A 30 -7.471 5.511 6.068 1.00 63.23 O ATOM 428 CB THR A 30 -9.684 3.959 3.825 1.00 53.45 C ATOM 429 OG1 THR A 30 -10.070 2.748 4.505 1.00 34.53 O ATOM 430 CG2 THR A 30 -8.383 3.722 3.036 1.00 11.35 C ATOM 0 H THR A 30 -8.285 6.542 3.871 1.00 13.43 H new ATOM 0 HA THR A 30 -10.499 5.292 5.364 1.00 0.13 H new ATOM 0 HB THR A 30 -10.460 4.237 3.112 1.00 53.45 H new ATOM 0 HG1 THR A 30 -10.149 2.019 3.855 1.00 34.53 H new ATOM 0 HG21 THR A 30 -8.523 2.890 2.345 1.00 11.35 H new ATOM 0 HG22 THR A 30 -8.129 4.621 2.475 1.00 11.35 H new ATOM 0 HG23 THR A 30 -7.575 3.487 3.729 1.00 11.35 H new ATOM 438 N THR A 31 -8.736 3.728 6.686 1.00 74.21 N ATOM 439 CA THR A 31 -7.767 3.157 7.652 1.00 33.01 C ATOM 440 C THR A 31 -6.763 2.225 6.921 1.00 14.30 C ATOM 441 O THR A 31 -7.171 1.274 6.240 1.00 33.52 O ATOM 442 CB THR A 31 -8.498 2.343 8.783 1.00 54.44 C ATOM 443 OG1 THR A 31 -9.474 3.177 9.435 1.00 64.32 O ATOM 444 CG2 THR A 31 -7.519 1.794 9.842 1.00 45.41 C ATOM 0 H THR A 31 -9.620 3.220 6.650 1.00 74.21 H new ATOM 0 HA THR A 31 -7.232 3.989 8.110 1.00 33.01 H new ATOM 0 HB THR A 31 -8.981 1.493 8.301 1.00 54.44 H new ATOM 0 HG1 THR A 31 -9.926 2.664 10.137 1.00 64.32 H new ATOM 0 HG21 THR A 31 -8.075 1.241 10.599 1.00 45.41 H new ATOM 0 HG22 THR A 31 -6.799 1.130 9.363 1.00 45.41 H new ATOM 0 HG23 THR A 31 -6.991 2.623 10.313 1.00 45.41 H new ATOM 452 N ALA A 32 -5.454 2.502 7.088 1.00 71.51 N ATOM 453 CA ALA A 32 -4.355 1.725 6.474 1.00 23.31 C ATOM 454 C ALA A 32 -3.453 1.109 7.573 1.00 14.25 C ATOM 455 O ALA A 32 -2.884 1.830 8.400 1.00 54.42 O ATOM 456 CB ALA A 32 -3.545 2.621 5.522 1.00 63.21 C ATOM 0 H ALA A 32 -5.125 3.280 7.659 1.00 71.51 H new ATOM 0 HA ALA A 32 -4.777 0.906 5.891 1.00 23.31 H new ATOM 0 HB1 ALA A 32 -2.738 2.041 5.075 1.00 63.21 H new ATOM 0 HB2 ALA A 32 -4.198 3.001 4.736 1.00 63.21 H new ATOM 0 HB3 ALA A 32 -3.124 3.458 6.080 1.00 63.21 H new ATOM 462 N TYR A 33 -3.348 -0.232 7.580 1.00 53.35 N ATOM 463 CA TYR A 33 -2.594 -0.992 8.600 1.00 22.43 C ATOM 464 C TYR A 33 -1.130 -1.256 8.180 1.00 1.53 C ATOM 465 O TYR A 33 -0.801 -1.357 6.995 1.00 44.03 O ATOM 466 CB TYR A 33 -3.307 -2.342 8.906 1.00 61.52 C ATOM 467 CG TYR A 33 -4.693 -2.168 9.545 1.00 55.22 C ATOM 468 CD1 TYR A 33 -4.821 -1.677 10.846 1.00 74.32 C ATOM 469 CD2 TYR A 33 -5.865 -2.476 8.850 1.00 20.14 C ATOM 470 CE1 TYR A 33 -6.061 -1.497 11.425 1.00 73.13 C ATOM 471 CE2 TYR A 33 -7.104 -2.302 9.434 1.00 53.20 C ATOM 472 CZ TYR A 33 -7.197 -1.811 10.716 1.00 21.34 C ATOM 473 OH TYR A 33 -8.435 -1.628 11.291 1.00 13.44 O ATOM 0 H TYR A 33 -3.786 -0.825 6.875 1.00 53.35 H new ATOM 0 HA TYR A 33 -2.570 -0.376 9.499 1.00 22.43 H new ATOM 0 HB2 TYR A 33 -3.410 -2.908 7.980 1.00 61.52 H new ATOM 0 HB3 TYR A 33 -2.679 -2.933 9.573 1.00 61.52 H new ATOM 0 HD1 TYR A 33 -3.933 -1.433 11.410 1.00 74.32 H new ATOM 0 HD2 TYR A 33 -5.801 -2.856 7.841 1.00 20.14 H new ATOM 0 HE1 TYR A 33 -6.139 -1.111 12.431 1.00 73.13 H new ATOM 0 HE2 TYR A 33 -8.000 -2.551 8.885 1.00 53.20 H new ATOM 0 HH TYR A 33 -8.889 -2.493 11.373 1.00 13.44 H new ATOM 483 N VAL A 34 -0.266 -1.336 9.194 1.00 5.14 N ATOM 484 CA VAL A 34 1.133 -1.778 9.064 1.00 55.22 C ATOM 485 C VAL A 34 1.214 -3.237 9.561 1.00 5.11 C ATOM 486 O VAL A 34 0.996 -3.489 10.744 1.00 2.22 O ATOM 487 CB VAL A 34 2.081 -0.845 9.908 1.00 61.13 C ATOM 488 CG1 VAL A 34 3.571 -1.227 9.737 1.00 65.43 C ATOM 489 CG2 VAL A 34 1.836 0.645 9.554 1.00 10.21 C ATOM 0 H VAL A 34 -0.520 -1.091 10.151 1.00 5.14 H new ATOM 0 HA VAL A 34 1.458 -1.720 8.025 1.00 55.22 H new ATOM 0 HB VAL A 34 1.837 -0.991 10.960 1.00 61.13 H new ATOM 0 HG11 VAL A 34 4.189 -0.558 10.336 1.00 65.43 H new ATOM 0 HG12 VAL A 34 3.723 -2.255 10.067 1.00 65.43 H new ATOM 0 HG13 VAL A 34 3.851 -1.137 8.688 1.00 65.43 H new ATOM 0 HG21 VAL A 34 2.500 1.274 10.147 1.00 10.21 H new ATOM 0 HG22 VAL A 34 2.035 0.805 8.494 1.00 10.21 H new ATOM 0 HG23 VAL A 34 0.800 0.905 9.771 1.00 10.21 H new ATOM 499 N VAL A 35 1.468 -4.203 8.654 1.00 10.35 N ATOM 500 CA VAL A 35 1.404 -5.662 8.988 1.00 33.32 C ATOM 501 C VAL A 35 2.782 -6.360 8.900 1.00 12.40 C ATOM 502 O VAL A 35 3.736 -5.818 8.347 1.00 1.34 O ATOM 503 CB VAL A 35 0.374 -6.417 8.056 1.00 63.11 C ATOM 504 CG1 VAL A 35 -1.065 -5.891 8.278 1.00 52.42 C ATOM 505 CG2 VAL A 35 0.778 -6.320 6.559 1.00 32.15 C ATOM 0 H VAL A 35 1.720 -4.011 7.684 1.00 10.35 H new ATOM 0 HA VAL A 35 1.068 -5.716 10.024 1.00 33.32 H new ATOM 0 HB VAL A 35 0.396 -7.471 8.332 1.00 63.11 H new ATOM 0 HG11 VAL A 35 -1.753 -6.427 7.625 1.00 52.42 H new ATOM 0 HG12 VAL A 35 -1.354 -6.049 9.317 1.00 52.42 H new ATOM 0 HG13 VAL A 35 -1.103 -4.826 8.049 1.00 52.42 H new ATOM 0 HG21 VAL A 35 0.046 -6.851 5.950 1.00 32.15 H new ATOM 0 HG22 VAL A 35 0.810 -5.273 6.258 1.00 32.15 H new ATOM 0 HG23 VAL A 35 1.761 -6.768 6.418 1.00 32.15 H new ATOM 515 N SER A 36 2.862 -7.577 9.465 1.00 70.32 N ATOM 516 CA SER A 36 4.056 -8.457 9.369 1.00 61.03 C ATOM 517 C SER A 36 3.607 -9.899 9.061 1.00 15.12 C ATOM 518 O SER A 36 2.829 -10.483 9.818 1.00 55.10 O ATOM 519 CB SER A 36 4.863 -8.414 10.689 1.00 15.20 C ATOM 520 OG SER A 36 4.080 -8.825 11.798 1.00 61.31 O ATOM 0 H SER A 36 2.100 -7.987 10.005 1.00 70.32 H new ATOM 0 HA SER A 36 4.699 -8.103 8.564 1.00 61.03 H new ATOM 0 HB2 SER A 36 5.737 -9.059 10.602 1.00 15.20 H new ATOM 0 HB3 SER A 36 5.230 -7.402 10.858 1.00 15.20 H new ATOM 0 HG SER A 36 3.256 -8.295 11.831 1.00 61.31 H new ATOM 526 N TYR A 37 4.120 -10.490 7.970 1.00 45.12 N ATOM 527 CA TYR A 37 3.623 -11.790 7.462 1.00 73.03 C ATOM 528 C TYR A 37 4.725 -12.574 6.747 1.00 12.45 C ATOM 529 O TYR A 37 5.655 -11.990 6.191 1.00 0.32 O ATOM 530 CB TYR A 37 2.407 -11.585 6.504 1.00 12.34 C ATOM 531 CG TYR A 37 2.693 -10.786 5.216 1.00 50.32 C ATOM 532 CD1 TYR A 37 2.661 -9.389 5.208 1.00 43.31 C ATOM 533 CD2 TYR A 37 2.985 -11.431 4.005 1.00 22.01 C ATOM 534 CE1 TYR A 37 2.904 -8.673 4.052 1.00 40.42 C ATOM 535 CE2 TYR A 37 3.230 -10.715 2.850 1.00 61.10 C ATOM 536 CZ TYR A 37 3.187 -9.336 2.878 1.00 70.43 C ATOM 537 OH TYR A 37 3.430 -8.614 1.727 1.00 45.23 O ATOM 0 H TYR A 37 4.880 -10.092 7.418 1.00 45.12 H new ATOM 0 HA TYR A 37 3.299 -12.371 8.326 1.00 73.03 H new ATOM 0 HB2 TYR A 37 2.021 -12.565 6.223 1.00 12.34 H new ATOM 0 HB3 TYR A 37 1.616 -11.077 7.056 1.00 12.34 H new ATOM 0 HD1 TYR A 37 2.442 -8.859 6.123 1.00 43.31 H new ATOM 0 HD2 TYR A 37 3.019 -12.510 3.975 1.00 22.01 H new ATOM 0 HE1 TYR A 37 2.872 -7.594 4.069 1.00 40.42 H new ATOM 0 HE2 TYR A 37 3.454 -11.232 1.929 1.00 61.10 H new ATOM 0 HH TYR A 37 2.621 -8.596 1.175 1.00 45.23 H new ATOM 547 N THR A 38 4.578 -13.903 6.724 1.00 40.24 N ATOM 548 CA THR A 38 5.480 -14.796 5.974 1.00 11.13 C ATOM 549 C THR A 38 4.736 -15.262 4.703 1.00 33.54 C ATOM 550 O THR A 38 3.700 -15.924 4.825 1.00 63.34 O ATOM 551 CB THR A 38 5.938 -16.041 6.812 1.00 11.33 C ATOM 552 OG1 THR A 38 6.564 -15.608 8.035 1.00 1.20 O ATOM 553 CG2 THR A 38 6.924 -16.937 6.026 1.00 61.22 C ATOM 0 H THR A 38 3.834 -14.393 7.222 1.00 40.24 H new ATOM 0 HA THR A 38 6.386 -14.243 5.725 1.00 11.13 H new ATOM 0 HB THR A 38 5.047 -16.629 7.033 1.00 11.33 H new ATOM 0 HG1 THR A 38 6.846 -16.391 8.553 1.00 1.20 H new ATOM 0 HG21 THR A 38 7.215 -17.787 6.644 1.00 61.22 H new ATOM 0 HG22 THR A 38 6.443 -17.297 5.117 1.00 61.22 H new ATOM 0 HG23 THR A 38 7.810 -16.359 5.763 1.00 61.22 H new ATOM 561 N PRO A 39 5.211 -14.891 3.466 1.00 74.01 N ATOM 562 CA PRO A 39 4.566 -15.322 2.197 1.00 2.33 C ATOM 563 C PRO A 39 4.471 -16.871 2.074 1.00 41.11 C ATOM 564 O PRO A 39 5.451 -17.584 2.325 1.00 22.02 O ATOM 565 CB PRO A 39 5.483 -14.706 1.096 1.00 53.54 C ATOM 566 CG PRO A 39 6.769 -14.385 1.794 1.00 51.11 C ATOM 567 CD PRO A 39 6.381 -14.016 3.206 1.00 4.04 C ATOM 0 HA PRO A 39 3.531 -14.988 2.123 1.00 2.33 H new ATOM 0 HB2 PRO A 39 5.643 -15.408 0.278 1.00 53.54 H new ATOM 0 HB3 PRO A 39 5.034 -13.811 0.665 1.00 53.54 H new ATOM 0 HG2 PRO A 39 7.445 -15.240 1.784 1.00 51.11 H new ATOM 0 HG3 PRO A 39 7.288 -13.562 1.302 1.00 51.11 H new ATOM 0 HD2 PRO A 39 7.191 -14.205 3.910 1.00 4.04 H new ATOM 0 HD3 PRO A 39 6.123 -12.960 3.292 1.00 4.04 H new ATOM 575 N THR A 40 3.275 -17.363 1.683 1.00 23.44 N ATOM 576 CA THR A 40 2.977 -18.814 1.521 1.00 20.22 C ATOM 577 C THR A 40 3.838 -19.476 0.412 1.00 11.21 C ATOM 578 O THR A 40 3.922 -20.704 0.326 1.00 64.14 O ATOM 579 CB THR A 40 1.455 -19.044 1.210 1.00 22.51 C ATOM 580 OG1 THR A 40 1.104 -18.407 -0.028 1.00 21.41 O ATOM 581 CG2 THR A 40 0.553 -18.494 2.333 1.00 43.21 C ATOM 0 H THR A 40 2.478 -16.764 1.468 1.00 23.44 H new ATOM 0 HA THR A 40 3.230 -19.287 2.470 1.00 20.22 H new ATOM 0 HB THR A 40 1.296 -20.120 1.137 1.00 22.51 H new ATOM 0 HG1 THR A 40 1.141 -17.434 0.083 1.00 21.41 H new ATOM 0 HG21 THR A 40 -0.492 -18.672 2.080 1.00 43.21 H new ATOM 0 HG22 THR A 40 0.791 -18.997 3.270 1.00 43.21 H new ATOM 0 HG23 THR A 40 0.722 -17.423 2.444 1.00 43.21 H new ATOM 589 N ASN A 41 4.478 -18.635 -0.432 1.00 32.33 N ATOM 590 CA ASN A 41 5.486 -19.062 -1.435 1.00 54.14 C ATOM 591 C ASN A 41 6.754 -19.704 -0.778 1.00 42.23 C ATOM 592 O ASN A 41 7.504 -20.429 -1.447 1.00 51.51 O ATOM 593 CB ASN A 41 5.874 -17.815 -2.281 1.00 42.23 C ATOM 594 CG ASN A 41 6.869 -18.096 -3.412 1.00 12.43 C ATOM 595 OD1 ASN A 41 8.080 -17.995 -3.236 1.00 42.00 O ATOM 596 ND2 ASN A 41 6.373 -18.458 -4.576 1.00 12.34 N ATOM 0 H ASN A 41 4.309 -17.629 -0.438 1.00 32.33 H new ATOM 0 HA ASN A 41 5.051 -19.838 -2.065 1.00 54.14 H new ATOM 0 HB2 ASN A 41 4.968 -17.387 -2.710 1.00 42.23 H new ATOM 0 HB3 ASN A 41 6.300 -17.061 -1.619 1.00 42.23 H new ATOM 0 HD21 ASN A 41 6.998 -18.662 -5.356 1.00 12.34 H new ATOM 0 HD22 ASN A 41 5.363 -18.535 -4.698 1.00 12.34 H new ATOM 603 N GLY A 42 6.957 -19.469 0.533 1.00 73.21 N ATOM 604 CA GLY A 42 8.164 -19.924 1.237 1.00 42.54 C ATOM 605 C GLY A 42 9.356 -18.987 1.020 1.00 4.44 C ATOM 606 O GLY A 42 10.402 -19.400 0.506 1.00 4.45 O ATOM 0 H GLY A 42 6.296 -18.965 1.124 1.00 73.21 H new ATOM 0 HA2 GLY A 42 7.953 -19.997 2.304 1.00 42.54 H new ATOM 0 HA3 GLY A 42 8.425 -20.925 0.894 1.00 42.54 H new ATOM 610 N GLY A 43 9.182 -17.717 1.435 1.00 74.22 N ATOM 611 CA GLY A 43 10.170 -16.654 1.182 1.00 10.21 C ATOM 612 C GLY A 43 10.609 -15.908 2.446 1.00 62.12 C ATOM 613 O GLY A 43 10.597 -16.467 3.551 1.00 2.42 O ATOM 0 H GLY A 43 8.360 -17.403 1.950 1.00 74.22 H new ATOM 0 HA2 GLY A 43 11.047 -17.092 0.706 1.00 10.21 H new ATOM 0 HA3 GLY A 43 9.748 -15.938 0.476 1.00 10.21 H new ATOM 617 N GLN A 44 11.010 -14.638 2.269 1.00 32.34 N ATOM 618 CA GLN A 44 11.413 -13.752 3.384 1.00 42.44 C ATOM 619 C GLN A 44 10.159 -13.152 4.062 1.00 23.23 C ATOM 620 O GLN A 44 9.290 -12.609 3.371 1.00 25.11 O ATOM 621 CB GLN A 44 12.365 -12.618 2.884 1.00 0.00 C ATOM 622 CG GLN A 44 11.824 -11.775 1.703 1.00 42.13 C ATOM 623 CD GLN A 44 12.721 -10.590 1.334 1.00 74.33 C ATOM 624 OE1 GLN A 44 13.627 -10.699 0.515 1.00 14.31 O ATOM 625 NE2 GLN A 44 12.472 -9.445 1.941 1.00 12.11 N ATOM 0 H GLN A 44 11.065 -14.193 1.353 1.00 32.34 H new ATOM 0 HA GLN A 44 11.960 -14.346 4.116 1.00 42.44 H new ATOM 0 HB2 GLN A 44 12.578 -11.950 3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.312 -13.067 2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.709 -12.419 0.831 1.00 42.13 H new ATOM 0 HG3 GLN A 44 10.831 -11.403 1.958 1.00 42.13 H new ATOM 0 HE21 GLN A 44 11.712 -9.382 2.618 1.00 12.11 H new ATOM 0 HE22 GLN A 44 13.039 -8.623 1.733 1.00 12.11 H new ATOM 634 N ARG A 45 10.043 -13.298 5.406 1.00 23.12 N ATOM 635 CA ARG A 45 8.957 -12.660 6.185 1.00 4.53 C ATOM 636 C ARG A 45 8.950 -11.127 5.950 1.00 22.41 C ATOM 637 O ARG A 45 9.894 -10.420 6.322 1.00 31.41 O ATOM 638 CB ARG A 45 9.071 -12.961 7.714 1.00 31.24 C ATOM 639 CG ARG A 45 7.933 -12.332 8.570 1.00 50.42 C ATOM 640 CD ARG A 45 8.132 -12.470 10.095 1.00 45.22 C ATOM 641 NE ARG A 45 8.032 -13.857 10.586 1.00 30.55 N ATOM 642 CZ ARG A 45 8.111 -14.220 11.857 1.00 64.23 C ATOM 643 NH1 ARG A 45 8.306 -13.348 12.804 1.00 62.04 N ATOM 644 NH2 ARG A 45 7.985 -15.464 12.168 1.00 32.14 N ATOM 0 H ARG A 45 10.688 -13.851 5.970 1.00 23.12 H new ATOM 0 HA ARG A 45 8.018 -13.087 5.833 1.00 4.53 H new ATOM 0 HB2 ARG A 45 9.069 -14.041 7.862 1.00 31.24 H new ATOM 0 HB3 ARG A 45 10.030 -12.592 8.076 1.00 31.24 H new ATOM 0 HG2 ARG A 45 7.850 -11.274 8.321 1.00 50.42 H new ATOM 0 HG3 ARG A 45 6.987 -12.800 8.295 1.00 50.42 H new ATOM 0 HD2 ARG A 45 9.110 -12.070 10.362 1.00 45.22 H new ATOM 0 HD3 ARG A 45 7.388 -11.859 10.606 1.00 45.22 H new ATOM 0 HE ARG A 45 7.891 -14.593 9.894 1.00 30.55 H new ATOM 0 HH11 ARG A 45 8.402 -12.359 12.575 1.00 62.04 H new ATOM 0 HH12 ARG A 45 8.363 -13.654 13.775 1.00 62.04 H new ATOM 0 HH21 ARG A 45 7.826 -16.159 11.438 1.00 32.14 H new ATOM 0 HH22 ARG A 45 8.044 -15.754 13.144 1.00 32.14 H new ATOM 658 N VAL A 46 7.892 -10.648 5.290 1.00 74.12 N ATOM 659 CA VAL A 46 7.715 -9.226 4.977 1.00 43.23 C ATOM 660 C VAL A 46 7.160 -8.484 6.220 1.00 23.13 C ATOM 661 O VAL A 46 5.971 -8.596 6.545 1.00 65.52 O ATOM 662 CB VAL A 46 6.756 -9.028 3.744 1.00 63.35 C ATOM 663 CG1 VAL A 46 6.767 -7.561 3.241 1.00 65.44 C ATOM 664 CG2 VAL A 46 7.093 -10.015 2.598 1.00 15.44 C ATOM 0 H VAL A 46 7.130 -11.238 4.956 1.00 74.12 H new ATOM 0 HA VAL A 46 8.686 -8.807 4.711 1.00 43.23 H new ATOM 0 HB VAL A 46 5.745 -9.250 4.085 1.00 63.35 H new ATOM 0 HG11 VAL A 46 6.094 -7.463 2.390 1.00 65.44 H new ATOM 0 HG12 VAL A 46 6.438 -6.899 4.042 1.00 65.44 H new ATOM 0 HG13 VAL A 46 7.778 -7.288 2.937 1.00 65.44 H new ATOM 0 HG21 VAL A 46 6.411 -9.850 1.764 1.00 15.44 H new ATOM 0 HG22 VAL A 46 8.118 -9.851 2.267 1.00 15.44 H new ATOM 0 HG23 VAL A 46 6.986 -11.039 2.956 1.00 15.44 H new ATOM 674 N ASP A 47 8.031 -7.732 6.907 1.00 34.32 N ATOM 675 CA ASP A 47 7.675 -7.027 8.158 1.00 30.02 C ATOM 676 C ASP A 47 7.421 -5.550 7.869 1.00 25.50 C ATOM 677 O ASP A 47 8.026 -4.983 6.945 1.00 53.41 O ATOM 678 CB ASP A 47 8.791 -7.146 9.216 1.00 51.40 C ATOM 679 CG ASP A 47 9.049 -8.596 9.642 1.00 33.31 C ATOM 680 OD1 ASP A 47 8.273 -9.123 10.467 1.00 1.34 O ATOM 681 OD2 ASP A 47 10.020 -9.211 9.152 1.00 40.45 O ATOM 0 H ASP A 47 8.999 -7.592 6.618 1.00 34.32 H new ATOM 0 HA ASP A 47 6.773 -7.495 8.553 1.00 30.02 H new ATOM 0 HB2 ASP A 47 9.711 -6.719 8.817 1.00 51.40 H new ATOM 0 HB3 ASP A 47 8.520 -6.557 10.092 1.00 51.40 H new ATOM 686 N HIS A 48 6.545 -4.937 8.684 1.00 1.12 N ATOM 687 CA HIS A 48 6.225 -3.498 8.606 1.00 23.42 C ATOM 688 C HIS A 48 5.717 -3.095 7.188 1.00 61.13 C ATOM 689 O HIS A 48 5.872 -1.944 6.771 1.00 1.11 O ATOM 690 CB HIS A 48 7.465 -2.660 9.041 1.00 70.21 C ATOM 691 CG HIS A 48 8.027 -3.067 10.386 1.00 34.12 C ATOM 692 ND1 HIS A 48 9.131 -3.881 10.537 1.00 13.40 N ATOM 693 CD2 HIS A 48 7.610 -2.790 11.635 1.00 21.15 C ATOM 694 CE1 HIS A 48 9.363 -4.078 11.815 1.00 44.11 C ATOM 695 NE2 HIS A 48 8.456 -3.427 12.506 1.00 41.52 N ATOM 0 H HIS A 48 6.036 -5.427 9.420 1.00 1.12 H new ATOM 0 HA HIS A 48 5.407 -3.285 9.294 1.00 23.42 H new ATOM 0 HB2 HIS A 48 8.244 -2.760 8.285 1.00 70.21 H new ATOM 0 HB3 HIS A 48 7.188 -1.606 9.076 1.00 70.21 H new ATOM 0 HD2 HIS A 48 6.762 -2.177 11.903 1.00 21.15 H new ATOM 0 HE1 HIS A 48 10.164 -4.674 12.227 1.00 44.11 H new ATOM 0 HE2 HIS A 48 8.391 -3.400 13.524 1.00 41.52 H new ATOM 704 N HIS A 49 5.073 -4.064 6.488 1.00 62.52 N ATOM 705 CA HIS A 49 4.624 -3.911 5.086 1.00 21.52 C ATOM 706 C HIS A 49 3.587 -2.781 4.939 1.00 71.34 C ATOM 707 O HIS A 49 2.566 -2.745 5.644 1.00 34.02 O ATOM 708 CB HIS A 49 4.036 -5.242 4.551 1.00 23.11 C ATOM 709 CG HIS A 49 3.600 -5.190 3.094 1.00 11.53 C ATOM 710 ND1 HIS A 49 4.491 -5.411 2.068 1.00 4.54 N ATOM 711 CD2 HIS A 49 2.379 -4.933 2.554 1.00 23.04 C ATOM 712 CE1 HIS A 49 3.803 -5.284 0.947 1.00 73.32 C ATOM 713 NE2 HIS A 49 2.523 -4.995 1.193 1.00 21.53 N ATOM 0 H HIS A 49 4.851 -4.977 6.885 1.00 62.52 H new ATOM 0 HA HIS A 49 5.499 -3.644 4.494 1.00 21.52 H new ATOM 0 HB2 HIS A 49 4.782 -6.029 4.668 1.00 23.11 H new ATOM 0 HB3 HIS A 49 3.180 -5.521 5.165 1.00 23.11 H new ATOM 0 HD2 HIS A 49 1.469 -4.720 3.095 1.00 23.04 H new ATOM 0 HE1 HIS A 49 4.222 -5.399 -0.042 1.00 73.32 H new ATOM 0 HE2 HIS A 49 1.790 -4.848 0.499 1.00 21.53 H new ATOM 721 N LYS A 50 3.872 -1.870 4.004 1.00 65.42 N ATOM 722 CA LYS A 50 3.051 -0.690 3.721 1.00 55.32 C ATOM 723 C LYS A 50 2.825 -0.555 2.182 1.00 64.04 C ATOM 724 O LYS A 50 3.730 -0.851 1.400 1.00 61.41 O ATOM 725 CB LYS A 50 3.762 0.576 4.281 1.00 0.53 C ATOM 726 CG LYS A 50 3.919 0.607 5.821 1.00 62.00 C ATOM 727 CD LYS A 50 4.777 1.795 6.315 1.00 51.25 C ATOM 728 CE LYS A 50 4.964 1.789 7.842 1.00 23.31 C ATOM 729 NZ LYS A 50 5.851 2.884 8.307 1.00 43.20 N ATOM 0 H LYS A 50 4.699 -1.934 3.410 1.00 65.42 H new ATOM 0 HA LYS A 50 2.079 -0.795 4.203 1.00 55.32 H new ATOM 0 HB2 LYS A 50 4.751 0.650 3.828 1.00 0.53 H new ATOM 0 HB3 LYS A 50 3.202 1.457 3.970 1.00 0.53 H new ATOM 0 HG2 LYS A 50 2.932 0.662 6.281 1.00 62.00 H new ATOM 0 HG3 LYS A 50 4.374 -0.326 6.154 1.00 62.00 H new ATOM 0 HD2 LYS A 50 5.754 1.760 5.832 1.00 51.25 H new ATOM 0 HD3 LYS A 50 4.306 2.730 6.013 1.00 51.25 H new ATOM 0 HE2 LYS A 50 3.991 1.883 8.325 1.00 23.31 H new ATOM 0 HE3 LYS A 50 5.382 0.831 8.151 1.00 23.31 H new ATOM 0 HZ1 LYS A 50 5.946 2.838 9.342 1.00 43.20 H new ATOM 0 HZ2 LYS A 50 6.788 2.781 7.868 1.00 43.20 H new ATOM 0 HZ3 LYS A 50 5.441 3.801 8.037 1.00 43.20 H new ATOM 743 N TRP A 51 1.626 -0.143 1.716 1.00 73.40 N ATOM 744 CA TRP A 51 0.411 0.059 2.542 1.00 15.50 C ATOM 745 C TRP A 51 -0.683 -0.966 2.187 1.00 75.22 C ATOM 746 O TRP A 51 -0.949 -1.230 1.012 1.00 14.13 O ATOM 747 CB TRP A 51 -0.121 1.511 2.378 1.00 40.14 C ATOM 748 CG TRP A 51 0.851 2.556 2.872 1.00 65.22 C ATOM 749 CD1 TRP A 51 1.798 3.218 2.142 1.00 54.15 C ATOM 750 CD2 TRP A 51 0.985 3.030 4.222 1.00 55.13 C ATOM 751 NE1 TRP A 51 2.504 4.075 2.946 1.00 64.12 N ATOM 752 CE2 TRP A 51 2.022 3.979 4.230 1.00 33.14 C ATOM 753 CE3 TRP A 51 0.314 2.745 5.421 1.00 73.32 C ATOM 754 CZ2 TRP A 51 2.414 4.640 5.393 1.00 2.33 C ATOM 755 CZ3 TRP A 51 0.703 3.400 6.575 1.00 62.41 C ATOM 756 CH2 TRP A 51 1.741 4.343 6.553 1.00 13.24 C ATOM 0 H TRP A 51 1.470 0.064 0.730 1.00 73.40 H new ATOM 0 HA TRP A 51 0.683 -0.096 3.586 1.00 15.50 H new ATOM 0 HB2 TRP A 51 -0.340 1.695 1.326 1.00 40.14 H new ATOM 0 HB3 TRP A 51 -1.061 1.611 2.921 1.00 40.14 H new ATOM 0 HD1 TRP A 51 1.966 3.085 1.083 1.00 54.15 H new ATOM 0 HE1 TRP A 51 3.263 4.684 2.641 1.00 64.12 H new ATOM 0 HE3 TRP A 51 -0.492 2.027 5.442 1.00 73.32 H new ATOM 0 HZ2 TRP A 51 3.219 5.360 5.382 1.00 2.33 H new ATOM 0 HZ3 TRP A 51 0.201 3.182 7.506 1.00 62.41 H new ATOM 0 HH2 TRP A 51 2.017 4.846 7.468 1.00 13.24 H new ATOM 767 N VAL A 52 -1.287 -1.544 3.234 1.00 53.41 N ATOM 768 CA VAL A 52 -2.503 -2.377 3.131 1.00 20.13 C ATOM 769 C VAL A 52 -3.640 -1.672 3.883 1.00 72.30 C ATOM 770 O VAL A 52 -3.395 -0.960 4.860 1.00 15.23 O ATOM 771 CB VAL A 52 -2.310 -3.839 3.696 1.00 4.50 C ATOM 772 CG1 VAL A 52 -1.275 -4.628 2.866 1.00 71.23 C ATOM 773 CG2 VAL A 52 -1.932 -3.840 5.201 1.00 64.52 C ATOM 0 H VAL A 52 -0.944 -1.448 4.190 1.00 53.41 H new ATOM 0 HA VAL A 52 -2.739 -2.489 2.073 1.00 20.13 H new ATOM 0 HB VAL A 52 -3.273 -4.342 3.606 1.00 4.50 H new ATOM 0 HG11 VAL A 52 -1.164 -5.630 3.280 1.00 71.23 H new ATOM 0 HG12 VAL A 52 -1.614 -4.698 1.832 1.00 71.23 H new ATOM 0 HG13 VAL A 52 -0.314 -4.114 2.899 1.00 71.23 H new ATOM 0 HG21 VAL A 52 -1.810 -4.867 5.545 1.00 64.52 H new ATOM 0 HG22 VAL A 52 -0.998 -3.297 5.342 1.00 64.52 H new ATOM 0 HG23 VAL A 52 -2.723 -3.357 5.775 1.00 64.52 H new ATOM 783 N ILE A 53 -4.880 -1.848 3.421 1.00 4.43 N ATOM 784 CA ILE A 53 -6.062 -1.219 4.054 1.00 44.25 C ATOM 785 C ILE A 53 -6.962 -2.282 4.725 1.00 33.34 C ATOM 786 O ILE A 53 -6.786 -3.490 4.510 1.00 52.20 O ATOM 787 CB ILE A 53 -6.882 -0.368 3.012 1.00 64.50 C ATOM 788 CG1 ILE A 53 -7.460 -1.274 1.873 1.00 13.31 C ATOM 789 CG2 ILE A 53 -6.008 0.778 2.433 1.00 2.41 C ATOM 790 CD1 ILE A 53 -8.282 -0.550 0.818 1.00 52.33 C ATOM 0 H ILE A 53 -5.101 -2.422 2.607 1.00 4.43 H new ATOM 0 HA ILE A 53 -5.702 -0.542 4.829 1.00 44.25 H new ATOM 0 HB ILE A 53 -7.727 0.083 3.532 1.00 64.50 H new ATOM 0 HG12 ILE A 53 -6.631 -1.781 1.379 1.00 13.31 H new ATOM 0 HG13 ILE A 53 -8.081 -2.047 2.326 1.00 13.31 H new ATOM 0 HG21 ILE A 53 -6.592 1.354 1.715 1.00 2.41 H new ATOM 0 HG22 ILE A 53 -5.681 1.431 3.242 1.00 2.41 H new ATOM 0 HG23 ILE A 53 -5.136 0.354 1.934 1.00 2.41 H new ATOM 0 HD11 ILE A 53 -8.635 -1.267 0.077 1.00 52.33 H new ATOM 0 HD12 ILE A 53 -9.137 -0.067 1.291 1.00 52.33 H new ATOM 0 HD13 ILE A 53 -7.664 0.203 0.329 1.00 52.33 H new ATOM 802 N GLN A 54 -7.910 -1.814 5.563 1.00 15.12 N ATOM 803 CA GLN A 54 -8.894 -2.673 6.272 1.00 0.43 C ATOM 804 C GLN A 54 -9.685 -3.620 5.323 1.00 0.44 C ATOM 805 O GLN A 54 -9.996 -4.763 5.683 1.00 73.11 O ATOM 806 CB GLN A 54 -9.871 -1.757 7.061 1.00 13.40 C ATOM 807 CG GLN A 54 -10.863 -2.493 7.983 1.00 4.32 C ATOM 808 CD GLN A 54 -11.810 -1.543 8.717 1.00 13.44 C ATOM 809 OE1 GLN A 54 -12.895 -1.223 8.236 1.00 32.13 O ATOM 810 NE2 GLN A 54 -11.407 -1.072 9.879 1.00 21.42 N ATOM 0 H GLN A 54 -8.019 -0.821 5.772 1.00 15.12 H new ATOM 0 HA GLN A 54 -8.340 -3.325 6.948 1.00 0.43 H new ATOM 0 HB2 GLN A 54 -9.286 -1.063 7.664 1.00 13.40 H new ATOM 0 HB3 GLN A 54 -10.438 -1.159 6.348 1.00 13.40 H new ATOM 0 HG2 GLN A 54 -11.449 -3.196 7.391 1.00 4.32 H new ATOM 0 HG3 GLN A 54 -10.306 -3.079 8.714 1.00 4.32 H new ATOM 0 HE21 GLN A 54 -10.502 -1.353 10.257 1.00 21.42 H new ATOM 0 HE22 GLN A 54 -12.000 -0.427 10.401 1.00 21.42 H new ATOM 819 N GLU A 55 -9.972 -3.139 4.103 1.00 51.34 N ATOM 820 CA GLU A 55 -10.770 -3.878 3.096 1.00 34.41 C ATOM 821 C GLU A 55 -9.965 -5.041 2.437 1.00 33.51 C ATOM 822 O GLU A 55 -10.550 -5.976 1.884 1.00 53.54 O ATOM 823 CB GLU A 55 -11.266 -2.870 2.024 1.00 14.04 C ATOM 824 CG GLU A 55 -12.235 -3.445 0.972 1.00 4.32 C ATOM 825 CD GLU A 55 -12.741 -2.389 -0.023 1.00 73.22 C ATOM 826 OE1 GLU A 55 -12.068 -2.160 -1.050 1.00 4.14 O ATOM 827 OE2 GLU A 55 -13.805 -1.776 0.227 1.00 71.33 O ATOM 0 H GLU A 55 -9.659 -2.224 3.780 1.00 51.34 H new ATOM 0 HA GLU A 55 -11.619 -4.343 3.597 1.00 34.41 H new ATOM 0 HB2 GLU A 55 -11.758 -2.040 2.531 1.00 14.04 H new ATOM 0 HB3 GLU A 55 -10.399 -2.459 1.508 1.00 14.04 H new ATOM 0 HG2 GLU A 55 -11.734 -4.242 0.423 1.00 4.32 H new ATOM 0 HG3 GLU A 55 -13.088 -3.895 1.480 1.00 4.32 H new ATOM 834 N GLU A 56 -8.622 -4.996 2.541 1.00 32.24 N ATOM 835 CA GLU A 56 -7.721 -6.027 1.950 1.00 53.14 C ATOM 836 C GLU A 56 -7.431 -7.179 2.944 1.00 63.41 C ATOM 837 O GLU A 56 -6.680 -8.104 2.629 1.00 23.15 O ATOM 838 CB GLU A 56 -6.395 -5.358 1.488 1.00 53.51 C ATOM 839 CG GLU A 56 -6.550 -4.432 0.261 1.00 41.14 C ATOM 840 CD GLU A 56 -5.229 -3.778 -0.183 1.00 11.44 C ATOM 841 OE1 GLU A 56 -4.656 -3.016 0.614 1.00 21.54 O ATOM 842 OE2 GLU A 56 -4.768 -4.020 -1.321 1.00 75.23 O ATOM 0 H GLU A 56 -8.126 -4.252 3.032 1.00 32.24 H new ATOM 0 HA GLU A 56 -8.227 -6.466 1.090 1.00 53.14 H new ATOM 0 HB2 GLU A 56 -5.984 -4.780 2.316 1.00 53.51 H new ATOM 0 HB3 GLU A 56 -5.670 -6.137 1.252 1.00 53.51 H new ATOM 0 HG2 GLU A 56 -6.959 -5.007 -0.570 1.00 41.14 H new ATOM 0 HG3 GLU A 56 -7.273 -3.651 0.494 1.00 41.14 H new ATOM 849 N ILE A 57 -8.032 -7.106 4.146 1.00 12.14 N ATOM 850 CA ILE A 57 -7.864 -8.110 5.218 1.00 74.11 C ATOM 851 C ILE A 57 -9.248 -8.704 5.603 1.00 61.31 C ATOM 852 O ILE A 57 -10.169 -7.941 5.932 1.00 55.33 O ATOM 853 CB ILE A 57 -7.209 -7.448 6.494 1.00 13.23 C ATOM 854 CG1 ILE A 57 -5.877 -6.697 6.140 1.00 35.34 C ATOM 855 CG2 ILE A 57 -6.977 -8.500 7.600 1.00 22.21 C ATOM 856 CD1 ILE A 57 -5.229 -5.944 7.301 1.00 62.22 C ATOM 0 H ILE A 57 -8.655 -6.341 4.405 1.00 12.14 H new ATOM 0 HA ILE A 57 -7.212 -8.903 4.852 1.00 74.11 H new ATOM 0 HB ILE A 57 -7.909 -6.703 6.874 1.00 13.23 H new ATOM 0 HG12 ILE A 57 -5.161 -7.422 5.753 1.00 35.34 H new ATOM 0 HG13 ILE A 57 -6.080 -5.989 5.336 1.00 35.34 H new ATOM 0 HG21 ILE A 57 -6.525 -8.021 8.469 1.00 22.21 H new ATOM 0 HG22 ILE A 57 -7.931 -8.944 7.885 1.00 22.21 H new ATOM 0 HG23 ILE A 57 -6.311 -9.279 7.228 1.00 22.21 H new ATOM 0 HD11 ILE A 57 -4.316 -5.459 6.956 1.00 62.22 H new ATOM 0 HD12 ILE A 57 -5.921 -5.190 7.677 1.00 62.22 H new ATOM 0 HD13 ILE A 57 -4.988 -6.645 8.100 1.00 62.22 H new ATOM 868 N LYS A 58 -9.401 -10.051 5.562 1.00 63.31 N ATOM 869 CA LYS A 58 -10.677 -10.722 5.949 1.00 1.04 C ATOM 870 C LYS A 58 -10.958 -10.604 7.468 1.00 63.42 C ATOM 871 O LYS A 58 -12.017 -10.110 7.879 1.00 22.04 O ATOM 872 CB LYS A 58 -10.718 -12.220 5.507 1.00 65.53 C ATOM 873 CG LYS A 58 -9.465 -13.064 5.835 1.00 52.40 C ATOM 874 CD LYS A 58 -9.714 -14.591 5.713 1.00 21.01 C ATOM 875 CE LYS A 58 -10.756 -15.096 6.735 1.00 54.34 C ATOM 876 NZ LYS A 58 -10.889 -16.573 6.735 1.00 31.23 N ATOM 0 H LYS A 58 -8.666 -10.694 5.268 1.00 63.31 H new ATOM 0 HA LYS A 58 -11.466 -10.194 5.414 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -11.581 -12.692 5.976 1.00 65.53 H new ATOM 0 HB3 LYS A 58 -10.882 -12.255 4.430 1.00 65.53 H new ATOM 0 HG2 LYS A 58 -8.655 -12.779 5.163 1.00 52.40 H new ATOM 0 HG3 LYS A 58 -9.134 -12.835 6.848 1.00 52.40 H new ATOM 0 HD2 LYS A 58 -10.056 -14.822 4.704 1.00 21.01 H new ATOM 0 HD3 LYS A 58 -8.775 -15.124 5.861 1.00 21.01 H new ATOM 0 HE2 LYS A 58 -10.472 -14.761 7.733 1.00 54.34 H new ATOM 0 HE3 LYS A 58 -11.724 -14.648 6.512 1.00 54.34 H new ATOM 0 HZ1 LYS A 58 -11.600 -16.858 7.438 1.00 31.23 H new ATOM 0 HZ2 LYS A 58 -11.187 -16.895 5.792 1.00 31.23 H new ATOM 0 HZ3 LYS A 58 -9.973 -17.004 6.975 1.00 31.23 H new ATOM 890 N ASP A 59 -9.988 -11.033 8.296 1.00 1.03 N ATOM 891 CA ASP A 59 -10.121 -11.042 9.774 1.00 5.22 C ATOM 892 C ASP A 59 -10.142 -9.620 10.394 1.00 0.44 C ATOM 893 O ASP A 59 -10.298 -9.488 11.616 1.00 42.34 O ATOM 894 CB ASP A 59 -9.001 -11.896 10.408 1.00 3.15 C ATOM 895 CG ASP A 59 -9.044 -13.366 9.972 1.00 62.40 C ATOM 896 OD1 ASP A 59 -9.719 -14.181 10.638 1.00 14.11 O ATOM 897 OD2 ASP A 59 -8.414 -13.707 8.957 1.00 21.32 O ATOM 0 H ASP A 59 -9.089 -11.384 7.965 1.00 1.03 H new ATOM 0 HA ASP A 59 -11.089 -11.489 9.999 1.00 5.22 H new ATOM 0 HB2 ASP A 59 -8.033 -11.472 10.140 1.00 3.15 H new ATOM 0 HB3 ASP A 59 -9.082 -11.843 11.494 1.00 3.15 H new ATOM 902 N ALA A 60 -9.950 -8.565 9.559 1.00 63.32 N ATOM 903 CA ALA A 60 -10.097 -7.153 9.989 1.00 53.34 C ATOM 904 C ALA A 60 -11.466 -6.858 10.625 1.00 12.44 C ATOM 905 O ALA A 60 -11.568 -5.956 11.443 1.00 32.20 O ATOM 906 CB ALA A 60 -9.842 -6.194 8.815 1.00 10.54 C ATOM 0 H ALA A 60 -9.691 -8.670 8.578 1.00 63.32 H new ATOM 0 HA ALA A 60 -9.344 -6.989 10.760 1.00 53.34 H new ATOM 0 HB1 ALA A 60 -9.956 -5.165 9.155 1.00 10.54 H new ATOM 0 HB2 ALA A 60 -8.830 -6.342 8.437 1.00 10.54 H new ATOM 0 HB3 ALA A 60 -10.559 -6.395 8.019 1.00 10.54 H new ATOM 912 N GLY A 61 -12.514 -7.586 10.185 1.00 63.02 N ATOM 913 CA GLY A 61 -13.836 -7.547 10.837 1.00 21.10 C ATOM 914 C GLY A 61 -14.584 -6.217 10.696 1.00 74.35 C ATOM 915 O GLY A 61 -15.543 -5.975 11.438 1.00 54.33 O ATOM 0 H GLY A 61 -12.468 -8.209 9.379 1.00 63.02 H new ATOM 0 HA2 GLY A 61 -14.455 -8.341 10.420 1.00 21.10 H new ATOM 0 HA3 GLY A 61 -13.709 -7.765 11.897 1.00 21.10 H new ATOM 919 N ASP A 62 -14.121 -5.356 9.759 1.00 75.23 N ATOM 920 CA ASP A 62 -14.614 -3.965 9.576 1.00 45.21 C ATOM 921 C ASP A 62 -14.423 -3.100 10.867 1.00 52.31 C ATOM 922 O ASP A 62 -15.079 -2.068 11.045 1.00 62.20 O ATOM 923 CB ASP A 62 -16.093 -3.970 9.090 1.00 14.52 C ATOM 924 CG ASP A 62 -16.271 -4.709 7.751 1.00 72.22 C ATOM 925 OD1 ASP A 62 -16.082 -4.080 6.691 1.00 22.13 O ATOM 926 OD2 ASP A 62 -16.584 -5.924 7.750 1.00 11.41 O ATOM 0 H ASP A 62 -13.385 -5.609 9.099 1.00 75.23 H new ATOM 0 HA ASP A 62 -14.009 -3.494 8.801 1.00 45.21 H new ATOM 0 HB2 ASP A 62 -16.719 -4.441 9.847 1.00 14.52 H new ATOM 0 HB3 ASP A 62 -16.440 -2.942 8.983 1.00 14.52 H new ATOM 931 N LYS A 63 -13.465 -3.517 11.722 1.00 13.41 N ATOM 932 CA LYS A 63 -13.161 -2.866 13.025 1.00 4.20 C ATOM 933 C LYS A 63 -11.694 -2.373 13.080 1.00 2.23 C ATOM 934 O LYS A 63 -10.877 -2.696 12.202 1.00 73.04 O ATOM 935 CB LYS A 63 -13.426 -3.861 14.200 1.00 12.50 C ATOM 936 CG LYS A 63 -12.515 -5.108 14.198 1.00 74.04 C ATOM 937 CD LYS A 63 -12.731 -6.059 15.396 1.00 24.13 C ATOM 938 CE LYS A 63 -11.821 -7.306 15.311 1.00 44.51 C ATOM 939 NZ LYS A 63 -11.989 -8.214 16.474 1.00 22.23 N ATOM 0 H LYS A 63 -12.871 -4.324 11.530 1.00 13.41 H new ATOM 0 HA LYS A 63 -13.817 -2.001 13.126 1.00 4.20 H new ATOM 0 HB2 LYS A 63 -13.295 -3.332 15.144 1.00 12.50 H new ATOM 0 HB3 LYS A 63 -14.466 -4.186 14.158 1.00 12.50 H new ATOM 0 HG2 LYS A 63 -12.682 -5.663 13.275 1.00 74.04 H new ATOM 0 HG3 LYS A 63 -11.475 -4.783 14.191 1.00 74.04 H new ATOM 0 HD2 LYS A 63 -12.530 -5.525 16.325 1.00 24.13 H new ATOM 0 HD3 LYS A 63 -13.775 -6.372 15.428 1.00 24.13 H new ATOM 0 HE2 LYS A 63 -12.043 -7.851 14.394 1.00 44.51 H new ATOM 0 HE3 LYS A 63 -10.780 -6.988 15.250 1.00 44.51 H new ATOM 0 HZ1 LYS A 63 -11.357 -9.034 16.369 1.00 22.23 H new ATOM 0 HZ2 LYS A 63 -11.752 -7.705 17.349 1.00 22.23 H new ATOM 0 HZ3 LYS A 63 -12.975 -8.541 16.520 1.00 22.23 H new ATOM 953 N THR A 64 -11.367 -1.615 14.143 1.00 1.22 N ATOM 954 CA THR A 64 -10.000 -1.110 14.389 1.00 62.23 C ATOM 955 C THR A 64 -9.110 -2.241 14.954 1.00 60.12 C ATOM 956 O THR A 64 -9.318 -2.691 16.092 1.00 63.11 O ATOM 957 CB THR A 64 -10.006 0.089 15.400 1.00 12.23 C ATOM 958 OG1 THR A 64 -10.942 1.087 14.966 1.00 64.40 O ATOM 959 CG2 THR A 64 -8.609 0.732 15.559 1.00 22.11 C ATOM 0 H THR A 64 -12.041 -1.335 14.856 1.00 1.22 H new ATOM 0 HA THR A 64 -9.601 -0.761 13.436 1.00 62.23 H new ATOM 0 HB THR A 64 -10.300 -0.310 16.371 1.00 12.23 H new ATOM 0 HG1 THR A 64 -10.943 1.833 15.602 1.00 64.40 H new ATOM 0 HG21 THR A 64 -8.667 1.557 16.269 1.00 22.11 H new ATOM 0 HG22 THR A 64 -7.905 -0.014 15.926 1.00 22.11 H new ATOM 0 HG23 THR A 64 -8.269 1.107 14.594 1.00 22.11 H new ATOM 967 N LEU A 65 -8.163 -2.719 14.141 1.00 1.45 N ATOM 968 CA LEU A 65 -7.165 -3.719 14.571 1.00 61.04 C ATOM 969 C LEU A 65 -6.043 -3.053 15.399 1.00 30.05 C ATOM 970 O LEU A 65 -5.356 -2.140 14.926 1.00 75.20 O ATOM 971 CB LEU A 65 -6.574 -4.449 13.343 1.00 74.03 C ATOM 972 CG LEU A 65 -7.593 -5.229 12.453 1.00 54.12 C ATOM 973 CD1 LEU A 65 -6.897 -5.801 11.196 1.00 45.53 C ATOM 974 CD2 LEU A 65 -8.312 -6.338 13.265 1.00 23.43 C ATOM 0 H LEU A 65 -8.062 -2.429 13.168 1.00 1.45 H new ATOM 0 HA LEU A 65 -7.664 -4.452 15.205 1.00 61.04 H new ATOM 0 HB2 LEU A 65 -6.065 -3.714 12.719 1.00 74.03 H new ATOM 0 HB3 LEU A 65 -5.816 -5.150 13.692 1.00 74.03 H new ATOM 0 HG LEU A 65 -8.358 -4.529 12.117 1.00 54.12 H new ATOM 0 HD11 LEU A 65 -7.625 -6.340 10.591 1.00 45.53 H new ATOM 0 HD12 LEU A 65 -6.473 -4.984 10.612 1.00 45.53 H new ATOM 0 HD13 LEU A 65 -6.101 -6.482 11.499 1.00 45.53 H new ATOM 0 HD21 LEU A 65 -9.015 -6.864 12.619 1.00 23.43 H new ATOM 0 HD22 LEU A 65 -7.575 -7.043 13.649 1.00 23.43 H new ATOM 0 HD23 LEU A 65 -8.852 -5.887 14.098 1.00 23.43 H new ATOM 986 N GLN A 66 -5.886 -3.528 16.635 1.00 10.10 N ATOM 987 CA GLN A 66 -4.872 -3.034 17.582 1.00 45.53 C ATOM 988 C GLN A 66 -3.550 -3.828 17.404 1.00 72.32 C ATOM 989 O GLN A 66 -3.594 -4.993 16.974 1.00 65.02 O ATOM 990 CB GLN A 66 -5.413 -3.176 19.038 1.00 25.11 C ATOM 991 CG GLN A 66 -6.828 -2.585 19.286 1.00 35.51 C ATOM 992 CD GLN A 66 -6.941 -1.051 19.164 1.00 65.00 C ATOM 993 OE1 GLN A 66 -6.232 -0.398 18.410 1.00 4.14 O ATOM 994 NE2 GLN A 66 -7.847 -0.457 19.917 1.00 33.25 N ATOM 0 H GLN A 66 -6.464 -4.276 17.017 1.00 10.10 H new ATOM 0 HA GLN A 66 -4.666 -1.982 17.385 1.00 45.53 H new ATOM 0 HB2 GLN A 66 -5.429 -4.234 19.299 1.00 25.11 H new ATOM 0 HB3 GLN A 66 -4.712 -2.691 19.717 1.00 25.11 H new ATOM 0 HG2 GLN A 66 -7.521 -3.040 18.578 1.00 35.51 H new ATOM 0 HG3 GLN A 66 -7.154 -2.877 20.284 1.00 35.51 H new ATOM 0 HE21 GLN A 66 -8.433 -1.010 20.542 1.00 33.25 H new ATOM 0 HE22 GLN A 66 -7.962 0.556 19.874 1.00 33.25 H new ATOM 1003 N PRO A 67 -2.351 -3.210 17.689 1.00 33.43 N ATOM 1004 CA PRO A 67 -1.055 -3.942 17.676 1.00 35.41 C ATOM 1005 C PRO A 67 -1.083 -5.258 18.513 1.00 71.25 C ATOM 1006 O PRO A 67 -1.378 -5.237 19.714 1.00 65.22 O ATOM 1007 CB PRO A 67 -0.059 -2.908 18.257 1.00 15.30 C ATOM 1008 CG PRO A 67 -0.647 -1.582 17.874 1.00 41.34 C ATOM 1009 CD PRO A 67 -2.151 -1.759 17.979 1.00 53.42 C ATOM 0 HA PRO A 67 -0.788 -4.285 16.676 1.00 35.41 H new ATOM 0 HB2 PRO A 67 0.033 -3.006 19.339 1.00 15.30 H new ATOM 0 HB3 PRO A 67 0.939 -3.037 17.839 1.00 15.30 H new ATOM 0 HG2 PRO A 67 -0.298 -0.791 18.538 1.00 41.34 H new ATOM 0 HG3 PRO A 67 -0.355 -1.301 16.862 1.00 41.34 H new ATOM 0 HD2 PRO A 67 -2.518 -1.493 18.970 1.00 53.42 H new ATOM 0 HD3 PRO A 67 -2.680 -1.130 17.264 1.00 53.42 H new ATOM 1017 N GLY A 68 -0.785 -6.392 17.850 1.00 22.01 N ATOM 1018 CA GLY A 68 -0.866 -7.730 18.474 1.00 42.41 C ATOM 1019 C GLY A 68 -1.920 -8.656 17.843 1.00 12.44 C ATOM 1020 O GLY A 68 -1.830 -9.881 18.005 1.00 52.42 O ATOM 0 H GLY A 68 -0.484 -6.409 16.876 1.00 22.01 H new ATOM 0 HA2 GLY A 68 0.110 -8.210 18.407 1.00 42.41 H new ATOM 0 HA3 GLY A 68 -1.090 -7.611 19.534 1.00 42.41 H new ATOM 1024 N ASP A 69 -2.930 -8.090 17.134 1.00 13.33 N ATOM 1025 CA ASP A 69 -3.989 -8.903 16.467 1.00 34.22 C ATOM 1026 C ASP A 69 -3.430 -9.708 15.263 1.00 14.41 C ATOM 1027 O ASP A 69 -2.713 -9.167 14.418 1.00 1.11 O ATOM 1028 CB ASP A 69 -5.197 -8.020 16.013 1.00 10.10 C ATOM 1029 CG ASP A 69 -6.104 -7.583 17.184 1.00 53.20 C ATOM 1030 OD1 ASP A 69 -6.596 -8.469 17.923 1.00 4.31 O ATOM 1031 OD2 ASP A 69 -6.350 -6.367 17.364 1.00 43.05 O ATOM 0 H ASP A 69 -3.036 -7.083 17.008 1.00 13.33 H new ATOM 0 HA ASP A 69 -4.347 -9.614 17.212 1.00 34.22 H new ATOM 0 HB2 ASP A 69 -4.820 -7.133 15.504 1.00 10.10 H new ATOM 0 HB3 ASP A 69 -5.792 -8.575 15.288 1.00 10.10 H new ATOM 1036 N GLN A 70 -3.789 -11.006 15.200 1.00 51.53 N ATOM 1037 CA GLN A 70 -3.372 -11.914 14.109 1.00 32.52 C ATOM 1038 C GLN A 70 -4.532 -12.069 13.090 1.00 45.11 C ATOM 1039 O GLN A 70 -5.627 -12.519 13.438 1.00 33.34 O ATOM 1040 CB GLN A 70 -2.949 -13.294 14.681 1.00 24.12 C ATOM 1041 CG GLN A 70 -2.500 -14.319 13.618 1.00 75.43 C ATOM 1042 CD GLN A 70 -2.046 -15.651 14.220 1.00 62.42 C ATOM 1043 OE1 GLN A 70 -2.837 -16.572 14.408 1.00 44.22 O ATOM 1044 NE2 GLN A 70 -0.768 -15.763 14.533 1.00 70.51 N ATOM 0 H GLN A 70 -4.376 -11.455 15.903 1.00 51.53 H new ATOM 0 HA GLN A 70 -2.510 -11.487 13.597 1.00 32.52 H new ATOM 0 HB2 GLN A 70 -2.135 -13.145 15.390 1.00 24.12 H new ATOM 0 HB3 GLN A 70 -3.786 -13.713 15.240 1.00 24.12 H new ATOM 0 HG2 GLN A 70 -3.324 -14.501 12.928 1.00 75.43 H new ATOM 0 HG3 GLN A 70 -1.683 -13.894 13.035 1.00 75.43 H new ATOM 0 HE21 GLN A 70 -0.132 -14.983 14.367 1.00 70.51 H new ATOM 0 HE22 GLN A 70 -0.417 -16.629 14.941 1.00 70.51 H new ATOM 1053 N VAL A 71 -4.260 -11.712 11.827 1.00 41.01 N ATOM 1054 CA VAL A 71 -5.266 -11.603 10.743 1.00 64.03 C ATOM 1055 C VAL A 71 -4.740 -12.245 9.429 1.00 35.03 C ATOM 1056 O VAL A 71 -3.549 -12.519 9.311 1.00 14.14 O ATOM 1057 CB VAL A 71 -5.619 -10.085 10.496 1.00 44.10 C ATOM 1058 CG1 VAL A 71 -6.326 -9.457 11.727 1.00 1.44 C ATOM 1059 CG2 VAL A 71 -4.346 -9.274 10.111 1.00 31.44 C ATOM 0 H VAL A 71 -3.316 -11.484 11.516 1.00 41.01 H new ATOM 0 HA VAL A 71 -6.163 -12.141 11.050 1.00 64.03 H new ATOM 0 HB VAL A 71 -6.316 -10.041 9.659 1.00 44.10 H new ATOM 0 HG11 VAL A 71 -6.554 -8.411 11.521 1.00 1.44 H new ATOM 0 HG12 VAL A 71 -7.251 -9.997 11.930 1.00 1.44 H new ATOM 0 HG13 VAL A 71 -5.670 -9.521 12.595 1.00 1.44 H new ATOM 0 HG21 VAL A 71 -4.615 -8.231 9.946 1.00 31.44 H new ATOM 0 HG22 VAL A 71 -3.616 -9.337 10.918 1.00 31.44 H new ATOM 0 HG23 VAL A 71 -3.914 -9.686 9.199 1.00 31.44 H new ATOM 1069 N ILE A 72 -5.632 -12.499 8.446 1.00 62.15 N ATOM 1070 CA ILE A 72 -5.233 -13.023 7.104 1.00 42.41 C ATOM 1071 C ILE A 72 -5.534 -11.986 5.983 1.00 23.24 C ATOM 1072 O ILE A 72 -6.592 -11.344 5.977 1.00 52.31 O ATOM 1073 CB ILE A 72 -5.959 -14.389 6.786 1.00 61.22 C ATOM 1074 CG1 ILE A 72 -5.610 -15.482 7.852 1.00 24.45 C ATOM 1075 CG2 ILE A 72 -5.659 -14.897 5.354 1.00 34.32 C ATOM 1076 CD1 ILE A 72 -4.141 -15.871 7.925 1.00 2.42 C ATOM 0 H ILE A 72 -6.636 -12.352 8.549 1.00 62.15 H new ATOM 0 HA ILE A 72 -4.158 -13.200 7.132 1.00 42.41 H new ATOM 0 HB ILE A 72 -7.030 -14.192 6.838 1.00 61.22 H new ATOM 0 HG12 ILE A 72 -5.923 -15.123 8.832 1.00 24.45 H new ATOM 0 HG13 ILE A 72 -6.196 -16.376 7.637 1.00 24.45 H new ATOM 0 HG21 ILE A 72 -6.181 -15.839 5.185 1.00 34.32 H new ATOM 0 HG22 ILE A 72 -5.998 -14.159 4.627 1.00 34.32 H new ATOM 0 HG23 ILE A 72 -4.586 -15.052 5.240 1.00 34.32 H new ATOM 0 HD11 ILE A 72 -4.004 -16.633 8.692 1.00 2.42 H new ATOM 0 HD12 ILE A 72 -3.821 -16.266 6.961 1.00 2.42 H new ATOM 0 HD13 ILE A 72 -3.544 -14.994 8.174 1.00 2.42 H new ATOM 1088 N LEU A 73 -4.583 -11.846 5.040 1.00 10.31 N ATOM 1089 CA LEU A 73 -4.680 -10.916 3.891 1.00 23.34 C ATOM 1090 C LEU A 73 -5.447 -11.565 2.706 1.00 44.13 C ATOM 1091 O LEU A 73 -5.048 -12.624 2.220 1.00 3.32 O ATOM 1092 CB LEU A 73 -3.243 -10.528 3.437 1.00 61.14 C ATOM 1093 CG LEU A 73 -2.293 -9.980 4.557 1.00 11.12 C ATOM 1094 CD1 LEU A 73 -0.863 -9.768 4.023 1.00 61.04 C ATOM 1095 CD2 LEU A 73 -2.851 -8.682 5.189 1.00 14.11 C ATOM 0 H LEU A 73 -3.714 -12.380 5.052 1.00 10.31 H new ATOM 0 HA LEU A 73 -5.232 -10.029 4.202 1.00 23.34 H new ATOM 0 HB2 LEU A 73 -2.776 -11.405 2.989 1.00 61.14 H new ATOM 0 HB3 LEU A 73 -3.322 -9.774 2.654 1.00 61.14 H new ATOM 0 HG LEU A 73 -2.246 -10.734 5.343 1.00 11.12 H new ATOM 0 HD11 LEU A 73 -0.228 -9.387 4.823 1.00 61.04 H new ATOM 0 HD12 LEU A 73 -0.464 -10.717 3.664 1.00 61.04 H new ATOM 0 HD13 LEU A 73 -0.883 -9.050 3.204 1.00 61.04 H new ATOM 0 HD21 LEU A 73 -2.167 -8.330 5.961 1.00 14.11 H new ATOM 0 HD22 LEU A 73 -2.953 -7.917 4.419 1.00 14.11 H new ATOM 0 HD23 LEU A 73 -3.826 -8.883 5.632 1.00 14.11 H new ATOM 1107 N GLU A 74 -6.554 -10.931 2.256 1.00 41.24 N ATOM 1108 CA GLU A 74 -7.273 -11.347 1.017 1.00 12.13 C ATOM 1109 C GLU A 74 -6.699 -10.676 -0.249 1.00 60.52 C ATOM 1110 O GLU A 74 -6.986 -11.121 -1.363 1.00 3.21 O ATOM 1111 CB GLU A 74 -8.798 -11.080 1.103 1.00 15.44 C ATOM 1112 CG GLU A 74 -9.556 -12.008 2.069 1.00 55.34 C ATOM 1113 CD GLU A 74 -11.081 -12.003 1.841 1.00 0.10 C ATOM 1114 OE1 GLU A 74 -11.766 -11.069 2.300 1.00 32.25 O ATOM 1115 OE2 GLU A 74 -11.599 -12.936 1.185 1.00 44.12 O ATOM 0 H GLU A 74 -6.973 -10.130 2.728 1.00 41.24 H new ATOM 0 HA GLU A 74 -7.116 -12.423 0.937 1.00 12.13 H new ATOM 0 HB2 GLU A 74 -8.956 -10.047 1.413 1.00 15.44 H new ATOM 0 HB3 GLU A 74 -9.229 -11.184 0.107 1.00 15.44 H new ATOM 0 HG2 GLU A 74 -9.181 -13.025 1.955 1.00 55.34 H new ATOM 0 HG3 GLU A 74 -9.347 -11.704 3.095 1.00 55.34 H new ATOM 1122 N ALA A 75 -5.932 -9.587 -0.093 1.00 1.12 N ATOM 1123 CA ALA A 75 -5.177 -8.993 -1.220 1.00 44.30 C ATOM 1124 C ALA A 75 -3.789 -9.631 -1.352 1.00 30.31 C ATOM 1125 O ALA A 75 -3.279 -10.262 -0.417 1.00 33.24 O ATOM 1126 CB ALA A 75 -5.034 -7.480 -1.047 1.00 21.42 C ATOM 0 H ALA A 75 -5.815 -9.098 0.794 1.00 1.12 H new ATOM 0 HA ALA A 75 -5.742 -9.192 -2.131 1.00 44.30 H new ATOM 0 HB1 ALA A 75 -4.476 -7.069 -1.888 1.00 21.42 H new ATOM 0 HB2 ALA A 75 -6.023 -7.023 -1.010 1.00 21.42 H new ATOM 0 HB3 ALA A 75 -4.501 -7.269 -0.120 1.00 21.42 H new ATOM 1132 N SER A 76 -3.173 -9.441 -2.523 1.00 63.14 N ATOM 1133 CA SER A 76 -1.786 -9.861 -2.766 1.00 4.31 C ATOM 1134 C SER A 76 -1.067 -8.825 -3.646 1.00 12.32 C ATOM 1135 O SER A 76 -1.542 -8.491 -4.737 1.00 22.12 O ATOM 1136 CB SER A 76 -1.763 -11.247 -3.448 1.00 41.24 C ATOM 1137 OG SER A 76 -0.439 -11.718 -3.602 1.00 50.45 O ATOM 0 H SER A 76 -3.617 -8.995 -3.326 1.00 63.14 H new ATOM 0 HA SER A 76 -1.266 -9.931 -1.810 1.00 4.31 H new ATOM 0 HB2 SER A 76 -2.338 -11.957 -2.854 1.00 41.24 H new ATOM 0 HB3 SER A 76 -2.245 -11.184 -4.423 1.00 41.24 H new ATOM 0 HG SER A 76 0.016 -11.194 -4.294 1.00 50.45 H new ATOM 1143 N HIS A 77 0.077 -8.310 -3.163 1.00 61.13 N ATOM 1144 CA HIS A 77 0.963 -7.413 -3.932 1.00 22.52 C ATOM 1145 C HIS A 77 2.225 -8.175 -4.430 1.00 30.01 C ATOM 1146 O HIS A 77 3.042 -7.609 -5.166 1.00 24.05 O ATOM 1147 CB HIS A 77 1.385 -6.207 -3.033 1.00 3.33 C ATOM 1148 CG HIS A 77 0.237 -5.416 -2.408 1.00 72.45 C ATOM 1149 ND1 HIS A 77 0.392 -4.764 -1.203 1.00 70.14 N ATOM 1150 CD2 HIS A 77 -1.032 -5.184 -2.861 1.00 41.21 C ATOM 1151 CE1 HIS A 77 -0.760 -4.161 -0.955 1.00 20.03 C ATOM 1152 NE2 HIS A 77 -1.650 -4.386 -1.927 1.00 32.32 N ATOM 0 H HIS A 77 0.417 -8.505 -2.221 1.00 61.13 H new ATOM 0 HA HIS A 77 0.422 -7.047 -4.805 1.00 22.52 H new ATOM 0 HB2 HIS A 77 2.024 -6.580 -2.232 1.00 3.33 H new ATOM 0 HB3 HIS A 77 1.989 -5.525 -3.631 1.00 3.33 H new ATOM 0 HD2 HIS A 77 -1.466 -5.556 -3.777 1.00 41.21 H new ATOM 0 HE1 HIS A 77 -0.956 -3.562 -0.078 1.00 20.03 H new ATOM 0 HE2 HIS A 77 -2.606 -4.033 -1.968 1.00 32.32 H new ATOM 1160 N MET A 78 2.369 -9.464 -4.030 1.00 12.30 N ATOM 1161 CA MET A 78 3.583 -10.277 -4.314 1.00 24.20 C ATOM 1162 C MET A 78 3.284 -11.804 -4.333 1.00 40.14 C ATOM 1163 O MET A 78 2.140 -12.229 -4.152 1.00 73.53 O ATOM 1164 CB MET A 78 4.690 -9.965 -3.259 1.00 14.30 C ATOM 1165 CG MET A 78 4.313 -10.312 -1.811 1.00 13.11 C ATOM 1166 SD MET A 78 5.650 -9.988 -0.636 1.00 21.20 S ATOM 1167 CE MET A 78 5.806 -8.202 -0.735 1.00 43.22 C ATOM 0 H MET A 78 1.654 -9.967 -3.505 1.00 12.30 H new ATOM 0 HA MET A 78 3.931 -10.003 -5.310 1.00 24.20 H new ATOM 0 HB2 MET A 78 5.593 -10.514 -3.527 1.00 14.30 H new ATOM 0 HB3 MET A 78 4.935 -8.904 -3.312 1.00 14.30 H new ATOM 0 HG2 MET A 78 3.435 -9.735 -1.522 1.00 13.11 H new ATOM 0 HG3 MET A 78 4.035 -11.365 -1.756 1.00 13.11 H new ATOM 0 HE1 MET A 78 6.406 -7.842 0.101 1.00 43.22 H new ATOM 0 HE2 MET A 78 6.291 -7.931 -1.673 1.00 43.22 H new ATOM 0 HE3 MET A 78 4.816 -7.747 -0.694 1.00 43.22 H new ATOM 1177 N LYS A 79 4.337 -12.621 -4.567 1.00 23.40 N ATOM 1178 CA LYS A 79 4.262 -14.105 -4.509 1.00 11.24 C ATOM 1179 C LYS A 79 3.796 -14.623 -3.115 1.00 43.44 C ATOM 1180 O LYS A 79 4.532 -14.524 -2.128 1.00 13.13 O ATOM 1181 CB LYS A 79 5.654 -14.721 -4.870 1.00 35.35 C ATOM 1182 CG LYS A 79 6.031 -14.752 -6.386 1.00 75.04 C ATOM 1183 CD LYS A 79 5.531 -16.032 -7.134 1.00 30.14 C ATOM 1184 CE LYS A 79 4.047 -15.992 -7.558 1.00 13.43 C ATOM 1185 NZ LYS A 79 3.809 -15.060 -8.694 1.00 43.43 N ATOM 0 H LYS A 79 5.266 -12.272 -4.802 1.00 23.40 H new ATOM 0 HA LYS A 79 3.515 -14.422 -5.237 1.00 11.24 H new ATOM 0 HB2 LYS A 79 6.423 -14.161 -4.339 1.00 35.35 H new ATOM 0 HB3 LYS A 79 5.684 -15.742 -4.490 1.00 35.35 H new ATOM 0 HG2 LYS A 79 5.613 -13.871 -6.873 1.00 75.04 H new ATOM 0 HG3 LYS A 79 7.115 -14.686 -6.483 1.00 75.04 H new ATOM 0 HD2 LYS A 79 6.145 -16.180 -8.022 1.00 30.14 H new ATOM 0 HD3 LYS A 79 5.688 -16.897 -6.490 1.00 30.14 H new ATOM 0 HE2 LYS A 79 3.725 -16.994 -7.840 1.00 13.43 H new ATOM 0 HE3 LYS A 79 3.437 -15.688 -6.708 1.00 13.43 H new ATOM 0 HZ1 LYS A 79 2.799 -15.067 -8.943 1.00 43.43 H new ATOM 0 HZ2 LYS A 79 4.091 -14.098 -8.418 1.00 43.43 H new ATOM 0 HZ3 LYS A 79 4.370 -15.363 -9.515 1.00 43.43 H new ATOM 1199 N GLY A 80 2.558 -15.151 -3.053 1.00 31.01 N ATOM 1200 CA GLY A 80 2.044 -15.830 -1.853 1.00 1.14 C ATOM 1201 C GLY A 80 1.616 -14.896 -0.711 1.00 61.02 C ATOM 1202 O GLY A 80 1.596 -15.310 0.450 1.00 61.52 O ATOM 0 H GLY A 80 1.894 -15.118 -3.826 1.00 31.01 H new ATOM 0 HA2 GLY A 80 1.190 -16.444 -2.139 1.00 1.14 H new ATOM 0 HA3 GLY A 80 2.813 -16.507 -1.480 1.00 1.14 H new ATOM 1206 N MET A 81 1.263 -13.636 -1.029 1.00 33.34 N ATOM 1207 CA MET A 81 0.822 -12.656 -0.006 1.00 52.41 C ATOM 1208 C MET A 81 -0.630 -12.937 0.464 1.00 21.44 C ATOM 1209 O MET A 81 -0.929 -12.848 1.664 1.00 21.33 O ATOM 1210 CB MET A 81 0.962 -11.215 -0.550 1.00 11.22 C ATOM 1211 CG MET A 81 0.481 -10.118 0.406 1.00 42.22 C ATOM 1212 SD MET A 81 0.845 -8.460 -0.207 1.00 62.54 S ATOM 1213 CE MET A 81 0.080 -7.450 1.056 1.00 53.12 C ATOM 0 H MET A 81 1.273 -13.269 -1.981 1.00 33.34 H new ATOM 0 HA MET A 81 1.468 -12.762 0.865 1.00 52.41 H new ATOM 0 HB2 MET A 81 2.009 -11.033 -0.792 1.00 11.22 H new ATOM 0 HB3 MET A 81 0.401 -11.137 -1.482 1.00 11.22 H new ATOM 0 HG2 MET A 81 -0.594 -10.218 0.558 1.00 42.22 H new ATOM 0 HG3 MET A 81 0.954 -10.255 1.378 1.00 42.22 H new ATOM 0 HE1 MET A 81 0.252 -6.397 0.834 1.00 53.12 H new ATOM 0 HE2 MET A 81 -0.992 -7.645 1.078 1.00 53.12 H new ATOM 0 HE3 MET A 81 0.513 -7.691 2.027 1.00 53.12 H new ATOM 1223 N LYS A 82 -1.532 -13.260 -0.485 1.00 52.24 N ATOM 1224 CA LYS A 82 -2.907 -13.697 -0.147 1.00 23.13 C ATOM 1225 C LYS A 82 -2.885 -15.073 0.560 1.00 13.02 C ATOM 1226 O LYS A 82 -2.343 -16.046 0.023 1.00 1.40 O ATOM 1227 CB LYS A 82 -3.826 -13.752 -1.396 1.00 33.34 C ATOM 1228 CG LYS A 82 -5.283 -14.172 -1.072 1.00 70.41 C ATOM 1229 CD LYS A 82 -6.231 -14.132 -2.291 1.00 12.21 C ATOM 1230 CE LYS A 82 -7.692 -14.433 -1.899 1.00 73.21 C ATOM 1231 NZ LYS A 82 -8.625 -14.278 -3.042 1.00 51.10 N ATOM 0 H LYS A 82 -1.337 -13.228 -1.486 1.00 52.24 H new ATOM 0 HA LYS A 82 -3.320 -12.953 0.534 1.00 23.13 H new ATOM 0 HB2 LYS A 82 -3.836 -12.772 -1.874 1.00 33.34 H new ATOM 0 HB3 LYS A 82 -3.405 -14.454 -2.116 1.00 33.34 H new ATOM 0 HG2 LYS A 82 -5.277 -15.182 -0.662 1.00 70.41 H new ATOM 0 HG3 LYS A 82 -5.676 -13.515 -0.296 1.00 70.41 H new ATOM 0 HD2 LYS A 82 -6.177 -13.149 -2.760 1.00 12.21 H new ATOM 0 HD3 LYS A 82 -5.898 -14.858 -3.033 1.00 12.21 H new ATOM 0 HE2 LYS A 82 -7.760 -15.450 -1.513 1.00 73.21 H new ATOM 0 HE3 LYS A 82 -7.995 -13.765 -1.093 1.00 73.21 H new ATOM 0 HZ1 LYS A 82 -9.594 -14.491 -2.730 1.00 51.10 H new ATOM 0 HZ2 LYS A 82 -8.581 -13.301 -3.396 1.00 51.10 H new ATOM 0 HZ3 LYS A 82 -8.354 -14.934 -3.802 1.00 51.10 H new ATOM 1245 N GLY A 83 -3.471 -15.129 1.767 1.00 3.41 N ATOM 1246 CA GLY A 83 -3.472 -16.347 2.591 1.00 5.12 C ATOM 1247 C GLY A 83 -2.390 -16.342 3.671 1.00 2.33 C ATOM 1248 O GLY A 83 -2.474 -17.108 4.639 1.00 62.52 O ATOM 0 H GLY A 83 -3.953 -14.339 2.195 1.00 3.41 H new ATOM 0 HA2 GLY A 83 -4.448 -16.458 3.064 1.00 5.12 H new ATOM 0 HA3 GLY A 83 -3.330 -17.214 1.947 1.00 5.12 H new ATOM 1252 N ALA A 84 -1.370 -15.472 3.508 1.00 71.34 N ATOM 1253 CA ALA A 84 -0.243 -15.358 4.457 1.00 62.32 C ATOM 1254 C ALA A 84 -0.705 -14.826 5.834 1.00 32.44 C ATOM 1255 O ALA A 84 -1.508 -13.885 5.909 1.00 14.13 O ATOM 1256 CB ALA A 84 0.855 -14.455 3.867 1.00 22.24 C ATOM 0 H ALA A 84 -1.305 -14.831 2.717 1.00 71.34 H new ATOM 0 HA ALA A 84 0.164 -16.357 4.615 1.00 62.32 H new ATOM 0 HB1 ALA A 84 1.681 -14.377 4.574 1.00 22.24 H new ATOM 0 HB2 ALA A 84 1.216 -14.885 2.933 1.00 22.24 H new ATOM 0 HB3 ALA A 84 0.446 -13.463 3.676 1.00 22.24 H new ATOM 1262 N THR A 85 -0.181 -15.441 6.909 1.00 11.01 N ATOM 1263 CA THR A 85 -0.531 -15.086 8.299 1.00 43.51 C ATOM 1264 C THR A 85 0.118 -13.743 8.694 1.00 30.22 C ATOM 1265 O THR A 85 1.335 -13.655 8.842 1.00 73.23 O ATOM 1266 CB THR A 85 -0.095 -16.209 9.305 1.00 2.52 C ATOM 1267 OG1 THR A 85 -0.626 -17.479 8.882 1.00 52.01 O ATOM 1268 CG2 THR A 85 -0.568 -15.914 10.748 1.00 41.34 C ATOM 0 H THR A 85 0.498 -16.199 6.840 1.00 11.01 H new ATOM 0 HA THR A 85 -1.615 -14.987 8.350 1.00 43.51 H new ATOM 0 HB THR A 85 0.995 -16.237 9.307 1.00 2.52 H new ATOM 0 HG1 THR A 85 -0.349 -18.176 9.513 1.00 52.01 H new ATOM 0 HG21 THR A 85 -0.243 -16.718 11.409 1.00 41.34 H new ATOM 0 HG22 THR A 85 -0.139 -14.971 11.086 1.00 41.34 H new ATOM 0 HG23 THR A 85 -1.656 -15.845 10.767 1.00 41.34 H new ATOM 1276 N ALA A 86 -0.716 -12.710 8.871 1.00 10.52 N ATOM 1277 CA ALA A 86 -0.277 -11.330 9.166 1.00 54.53 C ATOM 1278 C ALA A 86 -0.508 -10.999 10.651 1.00 52.05 C ATOM 1279 O ALA A 86 -1.429 -11.521 11.272 1.00 62.40 O ATOM 1280 CB ALA A 86 -1.024 -10.335 8.260 1.00 55.10 C ATOM 0 H ALA A 86 -1.730 -12.805 8.814 1.00 10.52 H new ATOM 0 HA ALA A 86 0.791 -11.247 8.964 1.00 54.53 H new ATOM 0 HB1 ALA A 86 -0.694 -9.321 8.484 1.00 55.10 H new ATOM 0 HB2 ALA A 86 -0.811 -10.563 7.216 1.00 55.10 H new ATOM 0 HB3 ALA A 86 -2.096 -10.416 8.438 1.00 55.10 H new ATOM 1286 N GLU A 87 0.362 -10.163 11.223 1.00 5.31 N ATOM 1287 CA GLU A 87 0.235 -9.676 12.611 1.00 54.25 C ATOM 1288 C GLU A 87 0.389 -8.134 12.615 1.00 12.13 C ATOM 1289 O GLU A 87 1.342 -7.595 12.034 1.00 62.43 O ATOM 1290 CB GLU A 87 1.291 -10.416 13.499 1.00 42.21 C ATOM 1291 CG GLU A 87 1.146 -10.263 15.040 1.00 33.42 C ATOM 1292 CD GLU A 87 1.836 -9.015 15.616 1.00 2.31 C ATOM 1293 OE1 GLU A 87 3.079 -9.037 15.768 1.00 75.14 O ATOM 1294 OE2 GLU A 87 1.157 -8.013 15.888 1.00 4.02 O ATOM 0 H GLU A 87 1.182 -9.799 10.738 1.00 5.31 H new ATOM 0 HA GLU A 87 -0.746 -9.896 13.033 1.00 54.25 H new ATOM 0 HB2 GLU A 87 1.252 -11.478 13.258 1.00 42.21 H new ATOM 0 HB3 GLU A 87 2.282 -10.061 13.215 1.00 42.21 H new ATOM 0 HG2 GLU A 87 0.086 -10.228 15.292 1.00 33.42 H new ATOM 0 HG3 GLU A 87 1.559 -11.149 15.523 1.00 33.42 H new ATOM 1301 N ILE A 88 -0.570 -7.439 13.256 1.00 70.23 N ATOM 1302 CA ILE A 88 -0.703 -5.966 13.193 1.00 11.21 C ATOM 1303 C ILE A 88 0.386 -5.261 14.035 1.00 64.02 C ATOM 1304 O ILE A 88 0.406 -5.361 15.258 1.00 2.32 O ATOM 1305 CB ILE A 88 -2.142 -5.510 13.662 1.00 52.34 C ATOM 1306 CG1 ILE A 88 -3.247 -6.199 12.791 1.00 24.20 C ATOM 1307 CG2 ILE A 88 -2.304 -3.961 13.639 1.00 23.32 C ATOM 1308 CD1 ILE A 88 -3.221 -5.836 11.311 1.00 73.14 C ATOM 0 H ILE A 88 -1.280 -7.884 13.837 1.00 70.23 H new ATOM 0 HA ILE A 88 -0.566 -5.671 12.153 1.00 11.21 H new ATOM 0 HB ILE A 88 -2.263 -5.828 14.698 1.00 52.34 H new ATOM 0 HG12 ILE A 88 -3.142 -7.280 12.886 1.00 24.20 H new ATOM 0 HG13 ILE A 88 -4.224 -5.937 13.197 1.00 24.20 H new ATOM 0 HG21 ILE A 88 -3.308 -3.695 13.969 1.00 23.32 H new ATOM 0 HG22 ILE A 88 -1.571 -3.509 14.307 1.00 23.32 H new ATOM 0 HG23 ILE A 88 -2.146 -3.594 12.625 1.00 23.32 H new ATOM 0 HD11 ILE A 88 -4.023 -6.362 10.793 1.00 73.14 H new ATOM 0 HD12 ILE A 88 -3.360 -4.761 11.198 1.00 73.14 H new ATOM 0 HD13 ILE A 88 -2.261 -6.125 10.882 1.00 73.14 H new ATOM 1320 N ASP A 89 1.293 -4.559 13.353 1.00 1.20 N ATOM 1321 CA ASP A 89 2.353 -3.751 13.980 1.00 74.40 C ATOM 1322 C ASP A 89 1.789 -2.390 14.459 1.00 20.00 C ATOM 1323 O ASP A 89 2.104 -1.921 15.564 1.00 14.44 O ATOM 1324 CB ASP A 89 3.492 -3.551 12.946 1.00 71.40 C ATOM 1325 CG ASP A 89 4.669 -2.719 13.472 1.00 11.20 C ATOM 1326 OD1 ASP A 89 5.518 -3.272 14.208 1.00 32.21 O ATOM 1327 OD2 ASP A 89 4.760 -1.511 13.150 1.00 23.45 O ATOM 0 H ASP A 89 1.316 -4.532 12.334 1.00 1.20 H new ATOM 0 HA ASP A 89 2.745 -4.265 14.858 1.00 74.40 H new ATOM 0 HB2 ASP A 89 3.861 -4.528 12.633 1.00 71.40 H new ATOM 0 HB3 ASP A 89 3.084 -3.065 12.060 1.00 71.40 H new ATOM 1332 N SER A 90 0.927 -1.786 13.617 1.00 1.30 N ATOM 1333 CA SER A 90 0.400 -0.415 13.836 1.00 41.32 C ATOM 1334 C SER A 90 -0.858 -0.147 12.965 1.00 54.33 C ATOM 1335 O SER A 90 -1.219 -0.955 12.099 1.00 54.20 O ATOM 1336 CB SER A 90 1.508 0.639 13.541 1.00 11.05 C ATOM 1337 OG SER A 90 1.058 1.966 13.779 1.00 74.44 O ATOM 0 H SER A 90 0.575 -2.229 12.768 1.00 1.30 H new ATOM 0 HA SER A 90 0.101 -0.329 14.881 1.00 41.32 H new ATOM 0 HB2 SER A 90 2.378 0.434 14.164 1.00 11.05 H new ATOM 0 HB3 SER A 90 1.830 0.546 12.504 1.00 11.05 H new ATOM 0 HG SER A 90 1.782 2.597 13.584 1.00 74.44 H new ATOM 1343 N ALA A 91 -1.512 1.009 13.206 1.00 24.12 N ATOM 1344 CA ALA A 91 -2.747 1.429 12.498 1.00 51.50 C ATOM 1345 C ALA A 91 -2.736 2.957 12.242 1.00 31.14 C ATOM 1346 O ALA A 91 -2.471 3.740 13.156 1.00 30.42 O ATOM 1347 CB ALA A 91 -3.987 1.030 13.327 1.00 41.04 C ATOM 0 H ALA A 91 -1.198 1.685 13.902 1.00 24.12 H new ATOM 0 HA ALA A 91 -2.788 0.923 11.533 1.00 51.50 H new ATOM 0 HB1 ALA A 91 -4.891 1.341 12.803 1.00 41.04 H new ATOM 0 HB2 ALA A 91 -4.001 -0.051 13.464 1.00 41.04 H new ATOM 0 HB3 ALA A 91 -3.946 1.519 14.301 1.00 41.04 H new ATOM 1353 N GLU A 92 -3.047 3.379 10.998 1.00 12.44 N ATOM 1354 CA GLU A 92 -3.038 4.812 10.587 1.00 35.52 C ATOM 1355 C GLU A 92 -4.379 5.251 9.961 1.00 35.02 C ATOM 1356 O GLU A 92 -5.023 4.491 9.236 1.00 34.25 O ATOM 1357 CB GLU A 92 -1.879 5.085 9.571 1.00 73.00 C ATOM 1358 CG GLU A 92 -0.477 5.237 10.200 1.00 14.11 C ATOM 1359 CD GLU A 92 -0.370 6.451 11.150 1.00 11.14 C ATOM 1360 OE1 GLU A 92 -0.655 7.593 10.712 1.00 32.31 O ATOM 1361 OE2 GLU A 92 0.019 6.282 12.327 1.00 30.11 O ATOM 0 H GLU A 92 -3.312 2.742 10.246 1.00 12.44 H new ATOM 0 HA GLU A 92 -2.882 5.397 11.494 1.00 35.52 H new ATOM 0 HB2 GLU A 92 -1.850 4.268 8.850 1.00 73.00 H new ATOM 0 HB3 GLU A 92 -2.111 5.993 9.015 1.00 73.00 H new ATOM 0 HG2 GLU A 92 -0.231 4.329 10.751 1.00 14.11 H new ATOM 0 HG3 GLU A 92 0.263 5.338 9.406 1.00 14.11 H new ATOM 1368 N LYS A 93 -4.797 6.488 10.280 1.00 63.21 N ATOM 1369 CA LYS A 93 -5.841 7.217 9.534 1.00 22.54 C ATOM 1370 C LYS A 93 -5.130 8.218 8.603 1.00 52.34 C ATOM 1371 O LYS A 93 -4.739 9.314 9.027 1.00 11.43 O ATOM 1372 CB LYS A 93 -6.842 7.949 10.488 1.00 50.23 C ATOM 1373 CG LYS A 93 -7.863 7.033 11.208 1.00 53.40 C ATOM 1374 CD LYS A 93 -7.217 6.040 12.206 1.00 53.20 C ATOM 1375 CE LYS A 93 -8.249 5.122 12.880 1.00 21.20 C ATOM 1376 NZ LYS A 93 -9.041 4.344 11.893 1.00 70.22 N ATOM 0 H LYS A 93 -4.419 7.015 11.067 1.00 63.21 H new ATOM 0 HA LYS A 93 -6.439 6.512 8.956 1.00 22.54 H new ATOM 0 HB2 LYS A 93 -6.270 8.490 11.242 1.00 50.23 H new ATOM 0 HB3 LYS A 93 -7.391 8.693 9.910 1.00 50.23 H new ATOM 0 HG2 LYS A 93 -8.581 7.655 11.742 1.00 53.40 H new ATOM 0 HG3 LYS A 93 -8.422 6.470 10.461 1.00 53.40 H new ATOM 0 HD2 LYS A 93 -6.482 5.430 11.681 1.00 53.20 H new ATOM 0 HD3 LYS A 93 -6.679 6.599 12.972 1.00 53.20 H new ATOM 0 HE2 LYS A 93 -7.736 4.435 13.553 1.00 21.20 H new ATOM 0 HE3 LYS A 93 -8.923 5.723 13.490 1.00 21.20 H new ATOM 0 HZ1 LYS A 93 -9.123 3.358 12.213 1.00 70.22 H new ATOM 0 HZ2 LYS A 93 -9.990 4.759 11.805 1.00 70.22 H new ATOM 0 HZ3 LYS A 93 -8.565 4.370 10.969 1.00 70.22 H new ATOM 1390 N THR A 94 -4.923 7.801 7.348 1.00 41.44 N ATOM 1391 CA THR A 94 -4.163 8.568 6.333 1.00 1.45 C ATOM 1392 C THR A 94 -4.890 8.540 4.977 1.00 72.23 C ATOM 1393 O THR A 94 -5.662 7.613 4.695 1.00 52.44 O ATOM 1394 CB THR A 94 -2.700 8.007 6.163 1.00 20.24 C ATOM 1395 OG1 THR A 94 -1.979 8.737 5.141 1.00 13.20 O ATOM 1396 CG2 THR A 94 -2.688 6.498 5.830 1.00 43.43 C ATOM 0 H THR A 94 -5.280 6.912 6.997 1.00 41.44 H new ATOM 0 HA THR A 94 -4.097 9.598 6.684 1.00 1.45 H new ATOM 0 HB THR A 94 -2.201 8.144 7.123 1.00 20.24 H new ATOM 0 HG1 THR A 94 -1.074 8.372 5.055 1.00 13.20 H new ATOM 0 HG21 THR A 94 -1.658 6.157 5.722 1.00 43.43 H new ATOM 0 HG22 THR A 94 -3.171 5.944 6.635 1.00 43.43 H new ATOM 0 HG23 THR A 94 -3.226 6.327 4.898 1.00 43.43 H new ATOM 1404 N THR A 95 -4.645 9.558 4.138 1.00 4.20 N ATOM 1405 CA THR A 95 -5.093 9.549 2.736 1.00 51.42 C ATOM 1406 C THR A 95 -4.145 8.666 1.897 1.00 4.33 C ATOM 1407 O THR A 95 -2.925 8.882 1.886 1.00 70.34 O ATOM 1408 CB THR A 95 -5.149 10.994 2.120 1.00 22.40 C ATOM 1409 OG1 THR A 95 -4.001 11.762 2.528 1.00 22.31 O ATOM 1410 CG2 THR A 95 -6.435 11.747 2.487 1.00 70.01 C ATOM 0 H THR A 95 -4.137 10.401 4.407 1.00 4.20 H new ATOM 0 HA THR A 95 -6.105 9.144 2.716 1.00 51.42 H new ATOM 0 HB THR A 95 -5.143 10.870 1.037 1.00 22.40 H new ATOM 0 HG1 THR A 95 -4.004 12.626 2.065 1.00 22.31 H new ATOM 0 HG21 THR A 95 -6.418 12.738 2.034 1.00 70.01 H new ATOM 0 HG22 THR A 95 -7.299 11.194 2.117 1.00 70.01 H new ATOM 0 HG23 THR A 95 -6.503 11.844 3.571 1.00 70.01 H new ATOM 1418 N VAL A 96 -4.716 7.666 1.212 1.00 31.20 N ATOM 1419 CA VAL A 96 -3.982 6.771 0.301 1.00 60.14 C ATOM 1420 C VAL A 96 -4.531 6.960 -1.128 1.00 21.51 C ATOM 1421 O VAL A 96 -5.744 7.011 -1.338 1.00 32.01 O ATOM 1422 CB VAL A 96 -4.060 5.257 0.753 1.00 13.13 C ATOM 1423 CG1 VAL A 96 -3.240 5.020 2.044 1.00 34.54 C ATOM 1424 CG2 VAL A 96 -5.524 4.785 0.944 1.00 22.45 C ATOM 0 H VAL A 96 -5.711 7.452 1.274 1.00 31.20 H new ATOM 0 HA VAL A 96 -2.925 7.036 0.327 1.00 60.14 H new ATOM 0 HB VAL A 96 -3.624 4.661 -0.049 1.00 13.13 H new ATOM 0 HG11 VAL A 96 -3.311 3.971 2.333 1.00 34.54 H new ATOM 0 HG12 VAL A 96 -2.196 5.277 1.864 1.00 34.54 H new ATOM 0 HG13 VAL A 96 -3.635 5.644 2.846 1.00 34.54 H new ATOM 0 HG21 VAL A 96 -5.532 3.740 1.254 1.00 22.45 H new ATOM 0 HG22 VAL A 96 -6.006 5.394 1.709 1.00 22.45 H new ATOM 0 HG23 VAL A 96 -6.065 4.888 0.003 1.00 22.45 H new ATOM 1434 N TYR A 97 -3.633 7.106 -2.105 1.00 71.42 N ATOM 1435 CA TYR A 97 -3.996 7.491 -3.480 1.00 13.10 C ATOM 1436 C TYR A 97 -3.697 6.379 -4.501 1.00 50.14 C ATOM 1437 O TYR A 97 -2.811 5.540 -4.307 1.00 73.40 O ATOM 1438 CB TYR A 97 -3.250 8.799 -3.870 1.00 44.52 C ATOM 1439 CG TYR A 97 -3.645 10.016 -3.003 1.00 24.14 C ATOM 1440 CD1 TYR A 97 -3.016 10.273 -1.780 1.00 42.53 C ATOM 1441 CD2 TYR A 97 -4.669 10.885 -3.392 1.00 15.25 C ATOM 1442 CE1 TYR A 97 -3.391 11.340 -0.994 1.00 63.11 C ATOM 1443 CE2 TYR A 97 -5.039 11.959 -2.604 1.00 73.02 C ATOM 1444 CZ TYR A 97 -4.400 12.181 -1.406 1.00 63.13 C ATOM 1445 OH TYR A 97 -4.779 13.247 -0.612 1.00 30.02 O ATOM 0 H TYR A 97 -2.632 6.962 -1.970 1.00 71.42 H new ATOM 0 HA TYR A 97 -5.073 7.658 -3.502 1.00 13.10 H new ATOM 0 HB2 TYR A 97 -2.176 8.635 -3.784 1.00 44.52 H new ATOM 0 HB3 TYR A 97 -3.455 9.026 -4.916 1.00 44.52 H new ATOM 0 HD1 TYR A 97 -2.221 9.622 -1.446 1.00 42.53 H new ATOM 0 HD2 TYR A 97 -5.181 10.714 -4.327 1.00 15.25 H new ATOM 0 HE1 TYR A 97 -2.892 11.517 -0.053 1.00 63.11 H new ATOM 0 HE2 TYR A 97 -5.828 12.622 -2.928 1.00 73.02 H new ATOM 0 HH TYR A 97 -4.051 13.470 0.005 1.00 30.02 H new ATOM 1455 N MET A 98 -4.473 6.401 -5.586 1.00 13.42 N ATOM 1456 CA MET A 98 -4.272 5.556 -6.767 1.00 30.44 C ATOM 1457 C MET A 98 -3.577 6.407 -7.855 1.00 63.43 C ATOM 1458 O MET A 98 -4.170 7.367 -8.350 1.00 32.42 O ATOM 1459 CB MET A 98 -5.658 5.032 -7.231 1.00 51.42 C ATOM 1460 CG MET A 98 -5.622 4.123 -8.455 1.00 34.45 C ATOM 1461 SD MET A 98 -7.205 3.316 -8.812 1.00 30.42 S ATOM 1462 CE MET A 98 -8.270 4.696 -9.217 1.00 20.14 C ATOM 0 H MET A 98 -5.278 7.021 -5.671 1.00 13.42 H new ATOM 0 HA MET A 98 -3.639 4.695 -6.552 1.00 30.44 H new ATOM 0 HB2 MET A 98 -6.120 4.489 -6.406 1.00 51.42 H new ATOM 0 HB3 MET A 98 -6.299 5.886 -7.449 1.00 51.42 H new ATOM 0 HG2 MET A 98 -5.320 4.709 -9.323 1.00 34.45 H new ATOM 0 HG3 MET A 98 -4.860 3.358 -8.306 1.00 34.45 H new ATOM 0 HE1 MET A 98 -9.062 4.360 -9.886 1.00 20.14 H new ATOM 0 HE2 MET A 98 -8.711 5.095 -8.304 1.00 20.14 H new ATOM 0 HE3 MET A 98 -7.686 5.474 -9.708 1.00 20.14 H new ATOM 1472 N VAL A 99 -2.306 6.085 -8.190 1.00 43.33 N ATOM 1473 CA VAL A 99 -1.467 6.923 -9.101 1.00 2.00 C ATOM 1474 C VAL A 99 -0.994 6.146 -10.355 1.00 61.11 C ATOM 1475 O VAL A 99 -0.839 4.924 -10.330 1.00 14.40 O ATOM 1476 CB VAL A 99 -0.215 7.527 -8.347 1.00 23.53 C ATOM 1477 CG1 VAL A 99 -0.651 8.523 -7.239 1.00 35.04 C ATOM 1478 CG2 VAL A 99 0.699 6.407 -7.769 1.00 74.24 C ATOM 0 H VAL A 99 -1.831 5.250 -7.846 1.00 43.33 H new ATOM 0 HA VAL A 99 -2.110 7.738 -9.433 1.00 2.00 H new ATOM 0 HB VAL A 99 0.370 8.081 -9.080 1.00 23.53 H new ATOM 0 HG11 VAL A 99 0.232 8.921 -6.739 1.00 35.04 H new ATOM 0 HG12 VAL A 99 -1.214 9.342 -7.687 1.00 35.04 H new ATOM 0 HG13 VAL A 99 -1.278 8.007 -6.512 1.00 35.04 H new ATOM 0 HG21 VAL A 99 1.549 6.859 -7.258 1.00 74.24 H new ATOM 0 HG22 VAL A 99 0.131 5.802 -7.063 1.00 74.24 H new ATOM 0 HG23 VAL A 99 1.058 5.775 -8.581 1.00 74.24 H new ATOM 1488 N ASP A 100 -0.772 6.890 -11.456 1.00 4.44 N ATOM 1489 CA ASP A 100 -0.298 6.346 -12.748 1.00 72.51 C ATOM 1490 C ASP A 100 1.067 6.990 -13.095 1.00 30.11 C ATOM 1491 O ASP A 100 1.138 8.205 -13.294 1.00 22.32 O ATOM 1492 CB ASP A 100 -1.331 6.664 -13.874 1.00 21.14 C ATOM 1493 CG ASP A 100 -2.788 6.403 -13.454 1.00 1.22 C ATOM 1494 OD1 ASP A 100 -3.347 7.238 -12.721 1.00 74.54 O ATOM 1495 OD2 ASP A 100 -3.378 5.380 -13.851 1.00 12.45 O ATOM 0 H ASP A 100 -0.918 7.899 -11.475 1.00 4.44 H new ATOM 0 HA ASP A 100 -0.188 5.265 -12.669 1.00 72.51 H new ATOM 0 HB2 ASP A 100 -1.227 7.708 -14.169 1.00 21.14 H new ATOM 0 HB3 ASP A 100 -1.099 6.060 -14.751 1.00 21.14 H new ATOM 1500 N TYR A 101 2.133 6.181 -13.181 1.00 31.42 N ATOM 1501 CA TYR A 101 3.513 6.675 -13.424 1.00 14.32 C ATOM 1502 C TYR A 101 4.254 5.793 -14.454 1.00 12.11 C ATOM 1503 O TYR A 101 3.743 4.764 -14.905 1.00 2.44 O ATOM 1504 CB TYR A 101 4.302 6.723 -12.073 1.00 32.23 C ATOM 1505 CG TYR A 101 4.467 5.357 -11.361 1.00 54.13 C ATOM 1506 CD1 TYR A 101 3.510 4.888 -10.459 1.00 62.43 C ATOM 1507 CD2 TYR A 101 5.575 4.532 -11.608 1.00 23.11 C ATOM 1508 CE1 TYR A 101 3.653 3.667 -9.831 1.00 62.51 C ATOM 1509 CE2 TYR A 101 5.718 3.310 -10.980 1.00 71.12 C ATOM 1510 CZ TYR A 101 4.751 2.878 -10.095 1.00 63.10 C ATOM 1511 OH TYR A 101 4.889 1.654 -9.467 1.00 65.15 O ATOM 0 H TYR A 101 2.072 5.167 -13.086 1.00 31.42 H new ATOM 0 HA TYR A 101 3.450 7.681 -13.839 1.00 14.32 H new ATOM 0 HB2 TYR A 101 5.292 7.139 -12.262 1.00 32.23 H new ATOM 0 HB3 TYR A 101 3.792 7.409 -11.396 1.00 32.23 H new ATOM 0 HD1 TYR A 101 2.640 5.493 -10.248 1.00 62.43 H new ATOM 0 HD2 TYR A 101 6.333 4.860 -12.304 1.00 23.11 H new ATOM 0 HE1 TYR A 101 2.903 3.330 -9.131 1.00 62.51 H new ATOM 0 HE2 TYR A 101 6.583 2.695 -11.181 1.00 71.12 H new ATOM 0 HH TYR A 101 5.718 1.225 -9.765 1.00 65.15 H new ATOM 1521 N THR A 102 5.479 6.214 -14.807 1.00 43.34 N ATOM 1522 CA THR A 102 6.423 5.403 -15.604 1.00 64.22 C ATOM 1523 C THR A 102 7.558 4.918 -14.683 1.00 62.24 C ATOM 1524 O THR A 102 8.177 5.730 -13.984 1.00 74.34 O ATOM 1525 CB THR A 102 7.035 6.209 -16.803 1.00 42.41 C ATOM 1526 OG1 THR A 102 5.990 6.681 -17.669 1.00 24.53 O ATOM 1527 CG2 THR A 102 8.027 5.359 -17.634 1.00 71.23 C ATOM 0 H THR A 102 5.847 7.129 -14.548 1.00 43.34 H new ATOM 0 HA THR A 102 5.873 4.561 -16.024 1.00 64.22 H new ATOM 0 HB THR A 102 7.580 7.049 -16.374 1.00 42.41 H new ATOM 0 HG1 THR A 102 6.383 7.184 -18.412 1.00 24.53 H new ATOM 0 HG21 THR A 102 8.424 5.960 -18.452 1.00 71.23 H new ATOM 0 HG22 THR A 102 8.846 5.028 -16.996 1.00 71.23 H new ATOM 0 HG23 THR A 102 7.510 4.490 -18.040 1.00 71.23 H new ATOM 1535 N SER A 103 7.796 3.594 -14.657 1.00 64.32 N ATOM 1536 CA SER A 103 8.919 2.997 -13.914 1.00 63.51 C ATOM 1537 C SER A 103 10.268 3.531 -14.449 1.00 31.10 C ATOM 1538 O SER A 103 10.674 3.212 -15.566 1.00 35.33 O ATOM 1539 CB SER A 103 8.876 1.456 -13.996 1.00 3.53 C ATOM 1540 OG SER A 103 9.993 0.863 -13.340 1.00 51.12 O ATOM 0 H SER A 103 7.218 2.912 -15.148 1.00 64.32 H new ATOM 0 HA SER A 103 8.824 3.284 -12.867 1.00 63.51 H new ATOM 0 HB2 SER A 103 7.953 1.093 -13.544 1.00 3.53 H new ATOM 0 HB3 SER A 103 8.862 1.147 -15.041 1.00 3.53 H new ATOM 0 HG SER A 103 10.180 -0.012 -13.740 1.00 51.12 H new ATOM 1546 N THR A 104 10.915 4.384 -13.643 1.00 52.11 N ATOM 1547 CA THR A 104 12.222 5.001 -13.957 1.00 42.30 C ATOM 1548 C THR A 104 13.345 3.951 -14.196 1.00 22.20 C ATOM 1549 O THR A 104 14.334 4.239 -14.878 1.00 11.12 O ATOM 1550 CB THR A 104 12.651 5.977 -12.809 1.00 72.23 C ATOM 1551 OG1 THR A 104 12.761 5.258 -11.563 1.00 21.40 O ATOM 1552 CG2 THR A 104 11.651 7.145 -12.633 1.00 72.04 C ATOM 0 H THR A 104 10.543 4.673 -12.738 1.00 52.11 H new ATOM 0 HA THR A 104 12.090 5.553 -14.888 1.00 42.30 H new ATOM 0 HB THR A 104 13.617 6.397 -13.089 1.00 72.23 H new ATOM 0 HG1 THR A 104 11.872 4.963 -11.276 1.00 21.40 H new ATOM 0 HG21 THR A 104 11.989 7.795 -11.826 1.00 72.04 H new ATOM 0 HG22 THR A 104 11.592 7.716 -13.559 1.00 72.04 H new ATOM 0 HG23 THR A 104 10.666 6.747 -12.389 1.00 72.04 H new ATOM 1560 N THR A 105 13.182 2.739 -13.627 1.00 70.23 N ATOM 1561 CA THR A 105 14.151 1.629 -13.784 1.00 54.34 C ATOM 1562 C THR A 105 13.855 0.765 -15.046 1.00 10.52 C ATOM 1563 O THR A 105 14.699 0.666 -15.948 1.00 44.10 O ATOM 1564 CB THR A 105 14.166 0.713 -12.512 1.00 43.10 C ATOM 1565 OG1 THR A 105 12.860 0.154 -12.293 1.00 50.32 O ATOM 1566 CG2 THR A 105 14.601 1.490 -11.253 1.00 21.54 C ATOM 0 H THR A 105 12.378 2.500 -13.047 1.00 70.23 H new ATOM 0 HA THR A 105 15.132 2.087 -13.910 1.00 54.34 H new ATOM 0 HB THR A 105 14.889 -0.082 -12.691 1.00 43.10 H new ATOM 0 HG1 THR A 105 12.878 -0.418 -11.498 1.00 50.32 H new ATOM 0 HG21 THR A 105 14.598 0.820 -10.393 1.00 21.54 H new ATOM 0 HG22 THR A 105 15.605 1.888 -11.400 1.00 21.54 H new ATOM 0 HG23 THR A 105 13.907 2.312 -11.075 1.00 21.54 H new ATOM 1574 N SER A 106 12.650 0.153 -15.109 1.00 14.13 N ATOM 1575 CA SER A 106 12.289 -0.819 -16.186 1.00 61.32 C ATOM 1576 C SER A 106 11.767 -0.117 -17.465 1.00 65.52 C ATOM 1577 O SER A 106 12.055 -0.558 -18.585 1.00 22.44 O ATOM 1578 CB SER A 106 11.225 -1.830 -15.677 1.00 33.23 C ATOM 1579 OG SER A 106 9.983 -1.202 -15.406 1.00 52.33 O ATOM 0 H SER A 106 11.906 0.310 -14.430 1.00 14.13 H new ATOM 0 HA SER A 106 13.204 -1.350 -16.447 1.00 61.32 H new ATOM 0 HB2 SER A 106 11.081 -2.611 -16.423 1.00 33.23 H new ATOM 0 HB3 SER A 106 11.590 -2.316 -14.773 1.00 33.23 H new ATOM 0 HG SER A 106 9.340 -1.871 -15.090 1.00 52.33 H new ATOM 1585 N GLY A 107 11.003 0.975 -17.280 1.00 24.14 N ATOM 1586 CA GLY A 107 10.342 1.691 -18.394 1.00 12.52 C ATOM 1587 C GLY A 107 8.846 1.373 -18.512 1.00 33.02 C ATOM 1588 O GLY A 107 8.152 1.942 -19.364 1.00 63.24 O ATOM 0 H GLY A 107 10.825 1.386 -16.363 1.00 24.14 H new ATOM 0 HA2 GLY A 107 10.469 2.764 -18.254 1.00 12.52 H new ATOM 0 HA3 GLY A 107 10.837 1.431 -19.330 1.00 12.52 H new ATOM 1592 N GLU A 108 8.353 0.472 -17.638 1.00 42.43 N ATOM 1593 CA GLU A 108 6.950 -0.002 -17.658 1.00 43.41 C ATOM 1594 C GLU A 108 5.957 1.119 -17.272 1.00 4.43 C ATOM 1595 O GLU A 108 6.118 1.773 -16.239 1.00 63.15 O ATOM 1596 CB GLU A 108 6.783 -1.210 -16.694 1.00 34.24 C ATOM 1597 CG GLU A 108 5.382 -1.867 -16.708 1.00 4.32 C ATOM 1598 CD GLU A 108 5.288 -3.093 -15.783 1.00 5.30 C ATOM 1599 OE1 GLU A 108 5.910 -4.128 -16.104 1.00 61.32 O ATOM 1600 OE2 GLU A 108 4.600 -3.031 -14.739 1.00 64.24 O ATOM 0 H GLU A 108 8.915 0.051 -16.898 1.00 42.43 H new ATOM 0 HA GLU A 108 6.722 -0.311 -18.678 1.00 43.41 H new ATOM 0 HB2 GLU A 108 7.525 -1.966 -16.951 1.00 34.24 H new ATOM 0 HB3 GLU A 108 7.003 -0.879 -15.679 1.00 34.24 H new ATOM 0 HG2 GLU A 108 4.638 -1.131 -16.404 1.00 4.32 H new ATOM 0 HG3 GLU A 108 5.137 -2.167 -17.727 1.00 4.32 H new ATOM 1607 N LYS A 109 4.935 1.328 -18.114 1.00 34.21 N ATOM 1608 CA LYS A 109 3.838 2.269 -17.829 1.00 11.23 C ATOM 1609 C LYS A 109 2.887 1.635 -16.783 1.00 33.34 C ATOM 1610 O LYS A 109 2.037 0.805 -17.121 1.00 20.34 O ATOM 1611 CB LYS A 109 3.079 2.632 -19.144 1.00 43.33 C ATOM 1612 CG LYS A 109 3.991 3.040 -20.330 1.00 22.35 C ATOM 1613 CD LYS A 109 4.944 4.214 -19.998 1.00 20.55 C ATOM 1614 CE LYS A 109 5.875 4.565 -21.172 1.00 62.50 C ATOM 1615 NZ LYS A 109 6.770 3.430 -21.544 1.00 3.42 N ATOM 0 H LYS A 109 4.844 0.851 -19.011 1.00 34.21 H new ATOM 0 HA LYS A 109 4.242 3.195 -17.419 1.00 11.23 H new ATOM 0 HB2 LYS A 109 2.475 1.776 -19.446 1.00 43.33 H new ATOM 0 HB3 LYS A 109 2.390 3.451 -18.935 1.00 43.33 H new ATOM 0 HG2 LYS A 109 4.582 2.177 -20.637 1.00 22.35 H new ATOM 0 HG3 LYS A 109 3.367 3.317 -21.180 1.00 22.35 H new ATOM 0 HD2 LYS A 109 4.355 5.091 -19.730 1.00 20.55 H new ATOM 0 HD3 LYS A 109 5.545 3.955 -19.126 1.00 20.55 H new ATOM 0 HE2 LYS A 109 5.275 4.850 -22.036 1.00 62.50 H new ATOM 0 HE3 LYS A 109 6.481 5.431 -20.906 1.00 62.50 H new ATOM 0 HZ1 LYS A 109 7.539 3.779 -22.151 1.00 3.42 H new ATOM 0 HZ2 LYS A 109 7.173 3.009 -20.683 1.00 3.42 H new ATOM 0 HZ3 LYS A 109 6.223 2.710 -22.058 1.00 3.42 H new ATOM 1629 N VAL A 110 3.081 1.991 -15.506 1.00 25.25 N ATOM 1630 CA VAL A 110 2.320 1.411 -14.380 1.00 1.23 C ATOM 1631 C VAL A 110 1.090 2.285 -14.077 1.00 53.12 C ATOM 1632 O VAL A 110 1.232 3.438 -13.662 1.00 13.31 O ATOM 1633 CB VAL A 110 3.212 1.275 -13.094 1.00 61.51 C ATOM 1634 CG1 VAL A 110 2.455 0.560 -11.941 1.00 14.20 C ATOM 1635 CG2 VAL A 110 4.546 0.560 -13.418 1.00 70.10 C ATOM 0 H VAL A 110 3.768 2.688 -15.220 1.00 25.25 H new ATOM 0 HA VAL A 110 1.996 0.412 -14.670 1.00 1.23 H new ATOM 0 HB VAL A 110 3.445 2.283 -12.749 1.00 61.51 H new ATOM 0 HG11 VAL A 110 3.106 0.485 -11.070 1.00 14.20 H new ATOM 0 HG12 VAL A 110 1.564 1.132 -11.681 1.00 14.20 H new ATOM 0 HG13 VAL A 110 2.163 -0.440 -12.262 1.00 14.20 H new ATOM 0 HG21 VAL A 110 5.145 0.479 -12.511 1.00 70.10 H new ATOM 0 HG22 VAL A 110 4.339 -0.437 -13.807 1.00 70.10 H new ATOM 0 HG23 VAL A 110 5.095 1.134 -14.165 1.00 70.10 H new ATOM 1645 N LYS A 111 -0.117 1.738 -14.291 1.00 63.21 N ATOM 1646 CA LYS A 111 -1.379 2.502 -14.124 1.00 32.45 C ATOM 1647 C LYS A 111 -2.199 1.980 -12.921 1.00 60.11 C ATOM 1648 O LYS A 111 -2.210 0.771 -12.630 1.00 25.25 O ATOM 1649 CB LYS A 111 -2.251 2.507 -15.429 1.00 73.21 C ATOM 1650 CG LYS A 111 -2.832 1.143 -15.891 1.00 14.40 C ATOM 1651 CD LYS A 111 -1.784 0.185 -16.504 1.00 10.41 C ATOM 1652 CE LYS A 111 -1.139 0.736 -17.790 1.00 72.52 C ATOM 1653 NZ LYS A 111 -0.177 -0.226 -18.382 1.00 40.52 N ATOM 0 H LYS A 111 -0.253 0.769 -14.580 1.00 63.21 H new ATOM 0 HA LYS A 111 -1.092 3.534 -13.922 1.00 32.45 H new ATOM 0 HB2 LYS A 111 -3.082 3.196 -15.279 1.00 73.21 H new ATOM 0 HB3 LYS A 111 -1.645 2.910 -16.240 1.00 73.21 H new ATOM 0 HG2 LYS A 111 -3.302 0.653 -15.038 1.00 14.40 H new ATOM 0 HG3 LYS A 111 -3.616 1.325 -16.626 1.00 14.40 H new ATOM 0 HD2 LYS A 111 -1.004 -0.009 -15.768 1.00 10.41 H new ATOM 0 HD3 LYS A 111 -2.259 -0.771 -16.724 1.00 10.41 H new ATOM 0 HE2 LYS A 111 -1.918 0.965 -18.517 1.00 72.52 H new ATOM 0 HE3 LYS A 111 -0.626 1.672 -17.567 1.00 72.52 H new ATOM 0 HZ1 LYS A 111 -0.189 -0.135 -19.418 1.00 40.52 H new ATOM 0 HZ2 LYS A 111 0.779 -0.023 -18.027 1.00 40.52 H new ATOM 0 HZ3 LYS A 111 -0.447 -1.195 -18.116 1.00 40.52 H new ATOM 1667 N ASN A 112 -2.873 2.927 -12.238 1.00 23.13 N ATOM 1668 CA ASN A 112 -3.758 2.665 -11.081 1.00 2.24 C ATOM 1669 C ASN A 112 -3.045 1.908 -9.925 1.00 45.21 C ATOM 1670 O ASN A 112 -3.657 1.087 -9.224 1.00 61.32 O ATOM 1671 CB ASN A 112 -5.058 1.940 -11.548 1.00 63.14 C ATOM 1672 CG ASN A 112 -5.876 2.747 -12.569 1.00 53.23 C ATOM 1673 OD1 ASN A 112 -5.917 4.064 -12.429 1.00 64.02 O flip ATOM 1674 ND2 ASN A 112 -6.511 2.187 -13.463 1.00 51.33 N flip ATOM 0 H ASN A 112 -2.817 3.917 -12.479 1.00 23.13 H new ATOM 0 HA ASN A 112 -4.036 3.631 -10.660 1.00 2.24 H new ATOM 0 HB2 ASN A 112 -4.791 0.979 -11.987 1.00 63.14 H new ATOM 0 HB3 ASN A 112 -5.681 1.732 -10.678 1.00 63.14 H new ATOM 0 HD21 ASN A 112 -6.470 1.172 -13.559 1.00 51.33 H new ATOM 0 HD22 ASN A 112 -7.078 2.738 -14.108 1.00 51.33 H new ATOM 1681 N HIS A 113 -1.759 2.244 -9.711 1.00 43.23 N ATOM 1682 CA HIS A 113 -0.916 1.622 -8.669 1.00 30.13 C ATOM 1683 C HIS A 113 -1.432 1.924 -7.238 1.00 40.21 C ATOM 1684 O HIS A 113 -1.814 3.059 -6.918 1.00 22.21 O ATOM 1685 CB HIS A 113 0.559 2.076 -8.817 1.00 65.34 C ATOM 1686 CG HIS A 113 1.468 1.527 -7.742 1.00 33.51 C ATOM 1687 ND1 HIS A 113 1.856 0.212 -7.744 1.00 10.31 N ATOM 1688 CD2 HIS A 113 1.943 2.121 -6.618 1.00 41.51 C ATOM 1689 CE1 HIS A 113 2.539 0.035 -6.633 1.00 42.44 C ATOM 1690 NE2 HIS A 113 2.622 1.162 -5.916 1.00 30.14 N ATOM 0 H HIS A 113 -1.273 2.956 -10.256 1.00 43.23 H new ATOM 0 HA HIS A 113 -0.973 0.543 -8.814 1.00 30.13 H new ATOM 0 HB2 HIS A 113 0.932 1.762 -9.792 1.00 65.34 H new ATOM 0 HB3 HIS A 113 0.600 3.165 -8.795 1.00 65.34 H new ATOM 0 HD1 HIS A 113 1.656 -0.486 -8.460 1.00 10.31 H new ATOM 0 HD2 HIS A 113 1.810 3.154 -6.332 1.00 41.51 H new ATOM 0 HE1 HIS A 113 2.979 -0.905 -6.336 1.00 42.44 H new ATOM 1698 N LYS A 114 -1.406 0.881 -6.385 1.00 20.32 N ATOM 1699 CA LYS A 114 -1.888 0.930 -4.986 1.00 73.42 C ATOM 1700 C LYS A 114 -0.917 0.150 -4.041 1.00 24.21 C ATOM 1701 O LYS A 114 -0.349 -0.865 -4.452 1.00 63.13 O ATOM 1702 CB LYS A 114 -3.315 0.308 -4.906 1.00 20.15 C ATOM 1703 CG LYS A 114 -4.410 1.087 -5.674 1.00 13.04 C ATOM 1704 CD LYS A 114 -5.787 0.391 -5.607 1.00 1.04 C ATOM 1705 CE LYS A 114 -6.904 1.222 -6.263 1.00 34.42 C ATOM 1706 NZ LYS A 114 -8.233 0.569 -6.147 1.00 52.11 N ATOM 0 H LYS A 114 -1.044 -0.035 -6.651 1.00 20.32 H new ATOM 0 HA LYS A 114 -1.923 1.970 -4.663 1.00 73.42 H new ATOM 0 HB2 LYS A 114 -3.274 -0.710 -5.294 1.00 20.15 H new ATOM 0 HB3 LYS A 114 -3.607 0.238 -3.858 1.00 20.15 H new ATOM 0 HG2 LYS A 114 -4.494 2.092 -5.261 1.00 13.04 H new ATOM 0 HG3 LYS A 114 -4.111 1.195 -6.717 1.00 13.04 H new ATOM 0 HD2 LYS A 114 -5.724 -0.579 -6.100 1.00 1.04 H new ATOM 0 HD3 LYS A 114 -6.044 0.203 -4.565 1.00 1.04 H new ATOM 0 HE2 LYS A 114 -6.943 2.206 -5.797 1.00 34.42 H new ATOM 0 HE3 LYS A 114 -6.668 1.377 -7.316 1.00 34.42 H new ATOM 0 HZ1 LYS A 114 -8.968 1.296 -6.028 1.00 52.11 H new ATOM 0 HZ2 LYS A 114 -8.426 0.019 -7.008 1.00 52.11 H new ATOM 0 HZ3 LYS A 114 -8.237 -0.066 -5.323 1.00 52.11 H new ATOM 1720 N TRP A 115 -0.688 0.602 -2.776 1.00 34.43 N ATOM 1721 CA TRP A 115 -1.092 1.935 -2.246 1.00 31.42 C ATOM 1722 C TRP A 115 0.123 2.859 -1.996 1.00 31.23 C ATOM 1723 O TRP A 115 1.191 2.412 -1.562 1.00 21.54 O ATOM 1724 CB TRP A 115 -1.881 1.777 -0.914 1.00 53.14 C ATOM 1725 CG TRP A 115 -3.203 1.071 -1.060 1.00 10.43 C ATOM 1726 CD1 TRP A 115 -3.509 -0.214 -0.709 1.00 72.15 C ATOM 1727 CD2 TRP A 115 -4.400 1.627 -1.606 1.00 73.52 C ATOM 1728 NE1 TRP A 115 -4.814 -0.483 -1.006 1.00 23.15 N ATOM 1729 CE2 TRP A 115 -5.383 0.627 -1.559 1.00 25.23 C ATOM 1730 CE3 TRP A 115 -4.731 2.880 -2.131 1.00 3.45 C ATOM 1731 CZ2 TRP A 115 -6.676 0.838 -2.017 1.00 55.05 C ATOM 1732 CZ3 TRP A 115 -6.011 3.085 -2.584 1.00 55.03 C ATOM 1733 CH2 TRP A 115 -6.972 2.068 -2.525 1.00 50.45 C ATOM 0 H TRP A 115 -0.205 0.034 -2.080 1.00 34.43 H new ATOM 0 HA TRP A 115 -1.724 2.393 -3.007 1.00 31.42 H new ATOM 0 HB2 TRP A 115 -1.265 1.227 -0.203 1.00 53.14 H new ATOM 0 HB3 TRP A 115 -2.055 2.765 -0.488 1.00 53.14 H new ATOM 0 HD1 TRP A 115 -2.819 -0.914 -0.262 1.00 72.15 H new ATOM 0 HE1 TRP A 115 -5.288 -1.371 -0.841 1.00 23.15 H new ATOM 0 HE3 TRP A 115 -3.996 3.670 -2.179 1.00 3.45 H new ATOM 0 HZ2 TRP A 115 -7.420 0.057 -1.973 1.00 55.05 H new ATOM 0 HZ3 TRP A 115 -6.281 4.047 -2.993 1.00 55.03 H new ATOM 0 HH2 TRP A 115 -7.970 2.262 -2.890 1.00 50.45 H new ATOM 1744 N VAL A 116 -0.077 4.154 -2.286 1.00 14.13 N ATOM 1745 CA VAL A 116 0.825 5.251 -1.865 1.00 32.12 C ATOM 1746 C VAL A 116 0.060 6.200 -0.916 1.00 52.32 C ATOM 1747 O VAL A 116 -1.162 6.248 -0.961 1.00 43.31 O ATOM 1748 CB VAL A 116 1.399 6.061 -3.095 1.00 63.40 C ATOM 1749 CG1 VAL A 116 2.276 5.162 -4.005 1.00 62.42 C ATOM 1750 CG2 VAL A 116 0.269 6.746 -3.907 1.00 1.12 C ATOM 0 H VAL A 116 -0.879 4.479 -2.826 1.00 14.13 H new ATOM 0 HA VAL A 116 1.677 4.807 -1.350 1.00 32.12 H new ATOM 0 HB VAL A 116 2.036 6.849 -2.693 1.00 63.40 H new ATOM 0 HG11 VAL A 116 2.655 5.750 -4.841 1.00 62.42 H new ATOM 0 HG12 VAL A 116 3.114 4.769 -3.429 1.00 62.42 H new ATOM 0 HG13 VAL A 116 1.677 4.335 -4.385 1.00 62.42 H new ATOM 0 HG21 VAL A 116 0.703 7.293 -4.744 1.00 1.12 H new ATOM 0 HG22 VAL A 116 -0.418 5.989 -4.285 1.00 1.12 H new ATOM 0 HG23 VAL A 116 -0.273 7.438 -3.263 1.00 1.12 H new ATOM 1760 N THR A 117 0.765 6.919 -0.034 1.00 31.13 N ATOM 1761 CA THR A 117 0.136 7.966 0.838 1.00 20.31 C ATOM 1762 C THR A 117 0.376 9.398 0.301 1.00 12.50 C ATOM 1763 O THR A 117 1.036 9.588 -0.722 1.00 3.35 O ATOM 1764 CB THR A 117 0.633 7.867 2.326 1.00 71.03 C ATOM 1765 OG1 THR A 117 2.071 7.847 2.381 1.00 35.42 O ATOM 1766 CG2 THR A 117 0.066 6.628 3.032 1.00 4.24 C ATOM 0 H THR A 117 1.769 6.809 0.108 1.00 31.13 H new ATOM 0 HA THR A 117 -0.936 7.768 0.816 1.00 20.31 H new ATOM 0 HB THR A 117 0.268 8.751 2.849 1.00 71.03 H new ATOM 0 HG1 THR A 117 2.398 6.971 2.086 1.00 35.42 H new ATOM 0 HG21 THR A 117 0.432 6.594 4.058 1.00 4.24 H new ATOM 0 HG22 THR A 117 -1.023 6.678 3.037 1.00 4.24 H new ATOM 0 HG23 THR A 117 0.385 5.730 2.503 1.00 4.24 H new ATOM 1774 N GLU A 118 -0.197 10.407 0.991 1.00 3.01 N ATOM 1775 CA GLU A 118 -0.011 11.838 0.638 1.00 1.32 C ATOM 1776 C GLU A 118 1.437 12.301 0.924 1.00 12.31 C ATOM 1777 O GLU A 118 2.053 12.989 0.107 1.00 1.23 O ATOM 1778 CB GLU A 118 -1.023 12.712 1.423 1.00 34.22 C ATOM 1779 CG GLU A 118 -1.067 14.197 0.994 1.00 63.24 C ATOM 1780 CD GLU A 118 -2.139 15.014 1.737 1.00 43.42 C ATOM 1781 OE1 GLU A 118 -3.347 14.739 1.536 1.00 45.15 O ATOM 1782 OE2 GLU A 118 -1.787 15.913 2.533 1.00 61.33 O ATOM 0 H GLU A 118 -0.797 10.259 1.802 1.00 3.01 H new ATOM 0 HA GLU A 118 -0.193 11.953 -0.430 1.00 1.32 H new ATOM 0 HB2 GLU A 118 -2.019 12.285 1.305 1.00 34.22 H new ATOM 0 HB3 GLU A 118 -0.778 12.662 2.484 1.00 34.22 H new ATOM 0 HG2 GLU A 118 -0.090 14.648 1.170 1.00 63.24 H new ATOM 0 HG3 GLU A 118 -1.256 14.253 -0.078 1.00 63.24 H new ATOM 1789 N ASP A 119 1.973 11.886 2.090 1.00 52.15 N ATOM 1790 CA ASP A 119 3.368 12.183 2.504 1.00 13.51 C ATOM 1791 C ASP A 119 4.400 11.392 1.642 1.00 20.14 C ATOM 1792 O ASP A 119 5.593 11.713 1.621 1.00 41.43 O ATOM 1793 CB ASP A 119 3.527 11.860 4.012 1.00 35.44 C ATOM 1794 CG ASP A 119 4.885 12.300 4.597 1.00 64.22 C ATOM 1795 OD1 ASP A 119 5.081 13.519 4.814 1.00 61.21 O ATOM 1796 OD2 ASP A 119 5.763 11.441 4.823 1.00 40.14 O ATOM 0 H ASP A 119 1.454 11.335 2.774 1.00 52.15 H new ATOM 0 HA ASP A 119 3.571 13.241 2.341 1.00 13.51 H new ATOM 0 HB2 ASP A 119 2.726 12.349 4.566 1.00 35.44 H new ATOM 0 HB3 ASP A 119 3.408 10.787 4.160 1.00 35.44 H new ATOM 1801 N GLU A 120 3.907 10.376 0.918 1.00 54.32 N ATOM 1802 CA GLU A 120 4.706 9.561 -0.026 1.00 53.33 C ATOM 1803 C GLU A 120 4.962 10.358 -1.339 1.00 11.34 C ATOM 1804 O GLU A 120 5.923 10.101 -2.072 1.00 24.43 O ATOM 1805 CB GLU A 120 3.915 8.250 -0.327 1.00 72.44 C ATOM 1806 CG GLU A 120 4.759 6.972 -0.571 1.00 44.03 C ATOM 1807 CD GLU A 120 4.388 5.832 0.396 1.00 33.32 C ATOM 1808 OE1 GLU A 120 3.417 5.117 0.121 1.00 53.14 O ATOM 1809 OE2 GLU A 120 5.030 5.681 1.460 1.00 63.52 O ATOM 0 H GLU A 120 2.930 10.089 0.968 1.00 54.32 H new ATOM 0 HA GLU A 120 5.674 9.317 0.412 1.00 53.33 H new ATOM 0 HB2 GLU A 120 3.241 8.059 0.508 1.00 72.44 H new ATOM 0 HB3 GLU A 120 3.293 8.421 -1.206 1.00 72.44 H new ATOM 0 HG2 GLU A 120 4.616 6.635 -1.598 1.00 44.03 H new ATOM 0 HG3 GLU A 120 5.817 7.211 -0.459 1.00 44.03 H new ATOM 1816 N LEU A 121 4.090 11.361 -1.582 1.00 20.40 N ATOM 1817 CA LEU A 121 4.053 12.171 -2.819 1.00 14.31 C ATOM 1818 C LEU A 121 4.354 13.658 -2.487 1.00 42.11 C ATOM 1819 O LEU A 121 4.551 14.023 -1.326 1.00 32.43 O ATOM 1820 CB LEU A 121 2.628 12.083 -3.463 1.00 44.25 C ATOM 1821 CG LEU A 121 2.022 10.657 -3.654 1.00 2.44 C ATOM 1822 CD1 LEU A 121 0.561 10.732 -4.158 1.00 63.40 C ATOM 1823 CD2 LEU A 121 2.890 9.785 -4.586 1.00 53.43 C ATOM 0 H LEU A 121 3.376 11.636 -0.908 1.00 20.40 H new ATOM 0 HA LEU A 121 4.802 11.788 -3.512 1.00 14.31 H new ATOM 0 HB2 LEU A 121 1.941 12.663 -2.846 1.00 44.25 H new ATOM 0 HB3 LEU A 121 2.667 12.568 -4.439 1.00 44.25 H new ATOM 0 HG LEU A 121 2.014 10.176 -2.676 1.00 2.44 H new ATOM 0 HD11 LEU A 121 0.166 9.723 -4.281 1.00 63.40 H new ATOM 0 HD12 LEU A 121 -0.047 11.273 -3.433 1.00 63.40 H new ATOM 0 HD13 LEU A 121 0.533 11.252 -5.115 1.00 63.40 H new ATOM 0 HD21 LEU A 121 2.434 8.801 -4.693 1.00 53.43 H new ATOM 0 HD22 LEU A 121 2.963 10.259 -5.565 1.00 53.43 H new ATOM 0 HD23 LEU A 121 3.887 9.678 -4.160 1.00 53.43 H new ATOM 1835 N SER A 122 4.381 14.492 -3.531 1.00 21.32 N ATOM 1836 CA SER A 122 4.364 15.981 -3.438 1.00 34.41 C ATOM 1837 C SER A 122 3.793 16.526 -4.751 1.00 15.15 C ATOM 1838 O SER A 122 3.963 15.895 -5.781 1.00 52.11 O ATOM 1839 CB SER A 122 5.773 16.587 -3.204 1.00 21.11 C ATOM 1840 OG SER A 122 6.341 16.174 -1.969 1.00 41.20 O ATOM 0 H SER A 122 4.416 14.157 -4.494 1.00 21.32 H new ATOM 0 HA SER A 122 3.753 16.262 -2.580 1.00 34.41 H new ATOM 0 HB2 SER A 122 6.432 16.293 -4.021 1.00 21.11 H new ATOM 0 HB3 SER A 122 5.706 17.675 -3.224 1.00 21.11 H new ATOM 0 HG SER A 122 6.826 15.332 -2.097 1.00 41.20 H new ATOM 1846 N ALA A 123 3.129 17.688 -4.726 1.00 52.52 N ATOM 1847 CA ALA A 123 2.499 18.259 -5.941 1.00 4.52 C ATOM 1848 C ALA A 123 3.545 18.786 -6.965 1.00 1.33 C ATOM 1849 O ALA A 123 4.728 18.962 -6.643 1.00 74.33 O ATOM 1850 CB ALA A 123 1.507 19.361 -5.548 1.00 50.42 C ATOM 0 H ALA A 123 3.010 18.255 -3.886 1.00 52.52 H new ATOM 0 HA ALA A 123 1.960 17.454 -6.441 1.00 4.52 H new ATOM 0 HB1 ALA A 123 1.049 19.775 -6.446 1.00 50.42 H new ATOM 0 HB2 ALA A 123 0.733 18.941 -4.906 1.00 50.42 H new ATOM 0 HB3 ALA A 123 2.034 20.151 -5.012 1.00 50.42 H new ATOM 1856 N LYS A 124 3.085 19.005 -8.208 1.00 55.03 N ATOM 1857 CA LYS A 124 3.909 19.577 -9.294 1.00 21.21 C ATOM 1858 C LYS A 124 4.248 21.075 -9.023 1.00 23.12 C ATOM 1859 O LYS A 124 3.419 21.816 -8.476 1.00 40.05 O ATOM 1860 CB LYS A 124 3.140 19.395 -10.636 1.00 1.11 C ATOM 1861 CG LYS A 124 3.806 19.989 -11.900 1.00 14.44 C ATOM 1862 CD LYS A 124 5.126 19.285 -12.283 1.00 11.50 C ATOM 1863 CE LYS A 124 5.808 19.952 -13.493 1.00 33.22 C ATOM 1864 NZ LYS A 124 7.024 19.222 -13.923 1.00 11.21 N ATOM 0 H LYS A 124 2.129 18.791 -8.492 1.00 55.03 H new ATOM 0 HA LYS A 124 4.864 19.054 -9.347 1.00 21.21 H new ATOM 0 HB2 LYS A 124 2.988 18.328 -10.800 1.00 1.11 H new ATOM 0 HB3 LYS A 124 2.153 19.845 -10.527 1.00 1.11 H new ATOM 0 HG2 LYS A 124 3.110 19.920 -12.736 1.00 14.44 H new ATOM 0 HG3 LYS A 124 4.002 21.049 -11.735 1.00 14.44 H new ATOM 0 HD2 LYS A 124 5.805 19.300 -11.431 1.00 11.50 H new ATOM 0 HD3 LYS A 124 4.925 18.238 -12.512 1.00 11.50 H new ATOM 0 HE2 LYS A 124 5.103 20.002 -14.323 1.00 33.22 H new ATOM 0 HE3 LYS A 124 6.073 20.978 -13.238 1.00 33.22 H new ATOM 0 HZ1 LYS A 124 7.285 19.518 -14.885 1.00 11.21 H new ATOM 0 HZ2 LYS A 124 7.806 19.436 -13.271 1.00 11.21 H new ATOM 0 HZ3 LYS A 124 6.836 18.199 -13.914 1.00 11.21 H new