USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 974 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 27 ASN : amide:sc=-0.00424 X(o=-0.33,f=-0.33) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.33 K(o=-0.33,f=-6.5!) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.376 K(o=1.3,f=-7.7!) USER MOD Set 2.2: A 19 SER OG : rot -65:sc= 0.965 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.16 (180deg=-1.29!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 9 SER OG : rot -113:sc= -0.359! USER MOD Single : A -1 MET CE :methyl 128:sc= -0.151 (180deg=-0.978) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -4.49! C(o=-4.5!,f=-5.7!) USER MOD Single : A 16 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -63:sc= 0.703 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0025 USER MOD Single : A 32 ASN : amide:sc= -0.0463 X(o=-0.046,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.616 K(o=-0.62,f=-4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 11:sc= 1.09 USER MOD Single : A 49 THR OG1 : rot -84:sc= 0.211 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0481) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.739 K(o=-0.74,f=-2.9!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0642) USER MOD Single : A 67 ASN : amide:sc= -0.418 K(o=-0.42,f=-6.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.19) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.102) USER MOD Single : A 89 ASN : amide:sc= -0.0694 X(o=-0.069,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.122) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 134:sc= -0.125 (180deg=-1) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.4!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0532) USER MOD Single : A 111 LYS NZ :NH3+ 161:sc= -0.0271 (180deg=-0.121) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 120 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.157) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 124.930 3.507 0.665 1.00 0.00 N ATOM 2 CA GLY A -3 124.410 4.633 1.492 1.00 0.00 C ATOM 3 C GLY A -3 122.915 4.435 1.745 1.00 0.00 C ATOM 4 O GLY A -3 122.115 4.459 0.827 1.00 0.00 O ATOM 0 H1 GLY A -3 125.947 3.643 0.494 1.00 0.00 H new ATOM 0 H2 GLY A -3 124.781 2.609 1.168 1.00 0.00 H new ATOM 0 H3 GLY A -3 124.426 3.483 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A -3 124.947 4.680 2.440 1.00 0.00 H new ATOM 0 HA3 GLY A -3 124.581 5.581 0.982 1.00 0.00 H new ATOM 10 N ALA A -2 122.534 4.238 2.984 1.00 0.00 N ATOM 11 CA ALA A -2 121.090 4.035 3.312 1.00 0.00 C ATOM 12 C ALA A -2 120.499 5.305 3.934 1.00 0.00 C ATOM 13 O ALA A -2 119.614 5.241 4.767 1.00 0.00 O ATOM 14 CB ALA A -2 121.073 2.885 4.321 1.00 0.00 C ATOM 0 H ALA A -2 123.165 4.209 3.785 1.00 0.00 H new ATOM 0 HA ALA A -2 120.494 3.812 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A -2 120.045 2.673 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A -2 121.512 1.996 3.867 1.00 0.00 H new ATOM 0 HB3 ALA A -2 121.651 3.165 5.202 1.00 0.00 H new ATOM 20 N MET A -1 120.985 6.455 3.534 1.00 0.00 N ATOM 21 CA MET A -1 120.462 7.737 4.101 1.00 0.00 C ATOM 22 C MET A -1 119.271 8.233 3.276 1.00 0.00 C ATOM 23 O MET A -1 118.160 8.318 3.768 1.00 0.00 O ATOM 24 CB MET A -1 121.628 8.724 4.010 1.00 0.00 C ATOM 25 CG MET A -1 122.747 8.286 4.957 1.00 0.00 C ATOM 26 SD MET A -1 124.041 9.551 4.989 1.00 0.00 S ATOM 27 CE MET A -1 123.121 10.793 5.932 1.00 0.00 C ATOM 0 H MET A -1 121.723 6.561 2.838 1.00 0.00 H new ATOM 0 HA MET A -1 120.112 7.619 5.126 1.00 0.00 H new ATOM 0 HB2 MET A -1 122.001 8.769 2.987 1.00 0.00 H new ATOM 0 HB3 MET A -1 121.290 9.727 4.270 1.00 0.00 H new ATOM 0 HG2 MET A -1 122.349 8.132 5.960 1.00 0.00 H new ATOM 0 HG3 MET A -1 123.163 7.333 4.629 1.00 0.00 H new ATOM 0 HE1 MET A -1 123.720 11.122 6.781 1.00 0.00 H new ATOM 0 HE2 MET A -1 122.900 11.647 5.291 1.00 0.00 H new ATOM 0 HE3 MET A -1 122.188 10.359 6.292 1.00 0.00 H new ATOM 37 N GLY A 0 119.499 8.561 2.027 1.00 0.00 N ATOM 38 CA GLY A 0 118.388 9.050 1.156 1.00 0.00 C ATOM 39 C GLY A 0 117.711 7.859 0.474 1.00 0.00 C ATOM 40 O GLY A 0 118.057 6.718 0.718 1.00 0.00 O ATOM 0 H GLY A 0 120.411 8.510 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 0 117.661 9.603 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 0 118.776 9.739 0.406 1.00 0.00 H new ATOM 44 N MET A 1 116.745 8.121 -0.383 1.00 0.00 N ATOM 45 CA MET A 1 116.017 7.018 -1.105 1.00 0.00 C ATOM 46 C MET A 1 115.487 5.967 -0.120 1.00 0.00 C ATOM 47 O MET A 1 116.192 5.050 0.259 1.00 0.00 O ATOM 48 CB MET A 1 117.049 6.395 -2.054 1.00 0.00 C ATOM 49 CG MET A 1 117.433 7.413 -3.130 1.00 0.00 C ATOM 50 SD MET A 1 118.496 6.617 -4.360 1.00 0.00 S ATOM 51 CE MET A 1 119.870 6.217 -3.251 1.00 0.00 C ATOM 0 H MET A 1 116.427 9.062 -0.615 1.00 0.00 H new ATOM 0 HA MET A 1 115.150 7.401 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 1 117.934 6.089 -1.496 1.00 0.00 H new ATOM 0 HB3 MET A 1 116.638 5.498 -2.517 1.00 0.00 H new ATOM 0 HG2 MET A 1 116.537 7.808 -3.609 1.00 0.00 H new ATOM 0 HG3 MET A 1 117.952 8.258 -2.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 120.788 6.116 -3.830 1.00 0.00 H new ATOM 0 HE2 MET A 1 119.990 7.015 -2.518 1.00 0.00 H new ATOM 0 HE3 MET A 1 119.661 5.279 -2.736 1.00 0.00 H new ATOM 61 N SER A 2 114.249 6.099 0.293 1.00 0.00 N ATOM 62 CA SER A 2 113.662 5.121 1.259 1.00 0.00 C ATOM 63 C SER A 2 112.521 4.341 0.597 1.00 0.00 C ATOM 64 O SER A 2 111.847 4.842 -0.285 1.00 0.00 O ATOM 65 CB SER A 2 113.132 5.973 2.412 1.00 0.00 C ATOM 66 OG SER A 2 114.199 6.733 2.962 1.00 0.00 O ATOM 0 H SER A 2 113.619 6.846 0.000 1.00 0.00 H new ATOM 0 HA SER A 2 114.392 4.386 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.343 6.636 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.692 5.335 3.178 1.00 0.00 H new ATOM 0 HG SER A 2 113.863 7.282 3.701 1.00 0.00 H new ATOM 72 N VAL A 3 112.305 3.120 1.021 1.00 0.00 N ATOM 73 CA VAL A 3 111.224 2.278 0.406 1.00 0.00 C ATOM 74 C VAL A 3 109.841 2.862 0.738 1.00 0.00 C ATOM 75 O VAL A 3 108.904 2.716 -0.025 1.00 0.00 O ATOM 76 CB VAL A 3 111.388 0.878 1.025 1.00 0.00 C ATOM 77 CG1 VAL A 3 110.332 -0.076 0.452 1.00 0.00 C ATOM 78 CG2 VAL A 3 112.782 0.328 0.698 1.00 0.00 C ATOM 0 H VAL A 3 112.831 2.666 1.768 1.00 0.00 H new ATOM 0 HA VAL A 3 111.301 2.245 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 3 111.264 0.956 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 3 110.455 -1.064 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 3 109.336 0.303 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 3 110.453 -0.146 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.894 -0.663 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 3 112.902 0.261 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.541 0.995 1.107 1.00 0.00 H new ATOM 88 N ALA A 4 109.711 3.521 1.867 1.00 0.00 N ATOM 89 CA ALA A 4 108.372 4.058 2.287 1.00 0.00 C ATOM 90 C ALA A 4 107.852 5.077 1.265 1.00 0.00 C ATOM 91 O ALA A 4 106.659 5.198 1.056 1.00 0.00 O ATOM 92 CB ALA A 4 108.611 4.737 3.639 1.00 0.00 C ATOM 0 H ALA A 4 110.474 3.711 2.517 1.00 0.00 H new ATOM 0 HA ALA A 4 107.625 3.267 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.674 5.154 4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 4 108.988 4.004 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.342 5.537 3.520 1.00 0.00 H new ATOM 98 N ASP A 5 108.740 5.805 0.630 1.00 0.00 N ATOM 99 CA ASP A 5 108.304 6.814 -0.392 1.00 0.00 C ATOM 100 C ASP A 5 107.650 6.113 -1.589 1.00 0.00 C ATOM 101 O ASP A 5 106.663 6.582 -2.127 1.00 0.00 O ATOM 102 CB ASP A 5 109.581 7.536 -0.828 1.00 0.00 C ATOM 103 CG ASP A 5 110.041 8.477 0.285 1.00 0.00 C ATOM 104 OD1 ASP A 5 110.807 8.038 1.128 1.00 0.00 O ATOM 105 OD2 ASP A 5 109.621 9.623 0.278 1.00 0.00 O ATOM 0 H ASP A 5 109.748 5.745 0.774 1.00 0.00 H new ATOM 0 HA ASP A 5 107.567 7.508 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.363 6.810 -1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 5 109.398 8.100 -1.743 1.00 0.00 H new ATOM 110 N PHE A 6 108.195 4.996 -2.006 1.00 0.00 N ATOM 111 CA PHE A 6 107.602 4.249 -3.161 1.00 0.00 C ATOM 112 C PHE A 6 106.330 3.513 -2.726 1.00 0.00 C ATOM 113 O PHE A 6 105.421 3.318 -3.511 1.00 0.00 O ATOM 114 CB PHE A 6 108.677 3.253 -3.599 1.00 0.00 C ATOM 115 CG PHE A 6 109.918 3.912 -4.157 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.987 4.254 -3.293 1.00 0.00 C ATOM 117 CD2 PHE A 6 110.009 4.192 -5.543 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.148 4.874 -3.815 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.171 4.812 -6.064 1.00 0.00 C ATOM 120 CZ PHE A 6 112.240 5.153 -5.201 1.00 0.00 C ATOM 0 H PHE A 6 109.026 4.568 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 6 107.318 4.918 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 6 108.956 2.634 -2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.258 2.587 -4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.917 4.042 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.193 3.933 -6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.964 5.134 -3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.242 5.025 -7.120 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.126 5.626 -5.599 1.00 0.00 H new ATOM 130 N TYR A 7 106.261 3.103 -1.480 1.00 0.00 N ATOM 131 CA TYR A 7 105.030 2.410 -0.978 1.00 0.00 C ATOM 132 C TYR A 7 103.856 3.392 -0.928 1.00 0.00 C ATOM 133 O TYR A 7 103.964 4.471 -0.373 1.00 0.00 O ATOM 134 CB TYR A 7 105.383 1.923 0.434 1.00 0.00 C ATOM 135 CG TYR A 7 105.998 0.538 0.479 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.901 0.116 -0.531 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.677 -0.336 1.548 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.479 -1.176 -0.470 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.254 -1.627 1.605 1.00 0.00 C ATOM 140 CZ TYR A 7 107.155 -2.046 0.598 1.00 0.00 C ATOM 141 OH TYR A 7 107.720 -3.303 0.659 1.00 0.00 O ATOM 0 H TYR A 7 107.003 3.218 -0.790 1.00 0.00 H new ATOM 0 HA TYR A 7 104.732 1.586 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.077 2.631 0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.480 1.927 1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.148 0.780 -1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 7 104.992 -0.016 2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.167 -1.497 -1.238 1.00 0.00 H new ATOM 0 HE2 TYR A 7 106.006 -2.293 2.418 1.00 0.00 H new ATOM 0 HH TYR A 7 107.392 -3.771 1.455 1.00 0.00 H new ATOM 151 N GLY A 8 102.740 3.024 -1.504 1.00 0.00 N ATOM 152 CA GLY A 8 101.552 3.932 -1.510 1.00 0.00 C ATOM 153 C GLY A 8 101.583 4.857 -2.739 1.00 0.00 C ATOM 154 O GLY A 8 100.683 5.654 -2.931 1.00 0.00 O ATOM 0 H GLY A 8 102.599 2.129 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.636 3.341 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.540 4.530 -0.599 1.00 0.00 H new ATOM 158 N SER A 9 102.600 4.764 -3.569 1.00 0.00 N ATOM 159 CA SER A 9 102.663 5.640 -4.782 1.00 0.00 C ATOM 160 C SER A 9 101.915 4.981 -5.945 1.00 0.00 C ATOM 161 O SER A 9 101.818 3.771 -6.021 1.00 0.00 O ATOM 162 CB SER A 9 104.152 5.779 -5.107 1.00 0.00 C ATOM 163 OG SER A 9 104.647 4.542 -5.601 1.00 0.00 O ATOM 0 H SER A 9 103.384 4.122 -3.457 1.00 0.00 H new ATOM 0 HA SER A 9 102.198 6.611 -4.612 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.302 6.565 -5.848 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.704 6.073 -4.214 1.00 0.00 H new ATOM 0 HG SER A 9 105.284 4.164 -4.959 1.00 0.00 H new ATOM 169 N ASN A 10 101.388 5.771 -6.848 1.00 0.00 N ATOM 170 CA ASN A 10 100.674 5.196 -8.030 1.00 0.00 C ATOM 171 C ASN A 10 101.624 5.121 -9.226 1.00 0.00 C ATOM 172 O ASN A 10 102.073 6.131 -9.737 1.00 0.00 O ATOM 173 CB ASN A 10 99.529 6.169 -8.321 1.00 0.00 C ATOM 174 CG ASN A 10 98.531 6.155 -7.162 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.877 6.476 -6.042 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.296 5.796 -7.385 1.00 0.00 N ATOM 0 H ASN A 10 101.422 6.790 -6.817 1.00 0.00 H new ATOM 0 HA ASN A 10 100.310 4.186 -7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.922 7.176 -8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.028 5.889 -9.248 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.622 5.785 -6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 10 97.005 5.527 -8.325 1.00 0.00 H new ATOM 183 N VAL A 11 101.929 3.929 -9.671 1.00 0.00 N ATOM 184 CA VAL A 11 102.819 3.766 -10.863 1.00 0.00 C ATOM 185 C VAL A 11 102.164 2.819 -11.872 1.00 0.00 C ATOM 186 O VAL A 11 101.292 2.044 -11.521 1.00 0.00 O ATOM 187 CB VAL A 11 104.134 3.172 -10.327 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.798 4.173 -9.380 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.866 1.863 -9.570 1.00 0.00 C ATOM 0 H VAL A 11 101.599 3.056 -9.259 1.00 0.00 H new ATOM 0 HA VAL A 11 102.997 4.711 -11.376 1.00 0.00 H new ATOM 0 HB VAL A 11 104.791 2.964 -11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.729 3.752 -9.000 1.00 0.00 H new ATOM 0 HG12 VAL A 11 105.010 5.097 -9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.129 4.384 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.807 1.458 -9.199 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.199 2.058 -8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.401 1.142 -10.243 1.00 0.00 H new ATOM 199 N GLU A 12 102.574 2.874 -13.115 1.00 0.00 N ATOM 200 CA GLU A 12 102.064 1.893 -14.118 1.00 0.00 C ATOM 201 C GLU A 12 103.230 1.071 -14.673 1.00 0.00 C ATOM 202 O GLU A 12 104.333 1.561 -14.817 1.00 0.00 O ATOM 203 CB GLU A 12 101.417 2.745 -15.216 1.00 0.00 C ATOM 204 CG GLU A 12 100.825 1.840 -16.304 1.00 0.00 C ATOM 205 CD GLU A 12 100.186 2.702 -17.394 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.221 3.385 -17.091 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.672 2.665 -18.512 1.00 0.00 O ATOM 0 H GLU A 12 103.240 3.556 -13.477 1.00 0.00 H new ATOM 0 HA GLU A 12 101.352 1.186 -13.693 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.635 3.372 -14.788 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.158 3.414 -15.652 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.605 1.212 -16.733 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.080 1.172 -15.871 1.00 0.00 H new ATOM 214 N VAL A 13 102.989 -0.178 -14.981 1.00 0.00 N ATOM 215 CA VAL A 13 104.072 -1.041 -15.542 1.00 0.00 C ATOM 216 C VAL A 13 103.551 -1.801 -16.764 1.00 0.00 C ATOM 217 O VAL A 13 102.408 -2.219 -16.795 1.00 0.00 O ATOM 218 CB VAL A 13 104.445 -2.013 -14.404 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.275 -2.956 -14.089 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.659 -2.849 -14.823 1.00 0.00 C ATOM 0 H VAL A 13 102.086 -0.638 -14.868 1.00 0.00 H new ATOM 0 HA VAL A 13 104.936 -0.465 -15.872 1.00 0.00 H new ATOM 0 HB VAL A 13 104.679 -1.428 -13.514 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.560 -3.633 -13.284 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.408 -2.371 -13.782 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.025 -3.535 -14.978 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.923 -3.536 -14.019 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.417 -3.417 -15.721 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.502 -2.189 -15.028 1.00 0.00 H new ATOM 230 N LEU A 14 104.373 -1.981 -17.766 1.00 0.00 N ATOM 231 CA LEU A 14 104.012 -2.958 -18.836 1.00 0.00 C ATOM 232 C LEU A 14 104.629 -4.309 -18.511 1.00 0.00 C ATOM 233 O LEU A 14 105.778 -4.394 -18.118 1.00 0.00 O ATOM 234 CB LEU A 14 104.597 -2.442 -20.157 1.00 0.00 C ATOM 235 CG LEU A 14 104.129 -1.012 -20.503 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.091 -0.869 -22.025 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.725 -0.728 -19.959 1.00 0.00 C ATOM 0 H LEU A 14 105.265 -1.502 -17.889 1.00 0.00 H new ATOM 0 HA LEU A 14 102.930 -3.065 -18.909 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.685 -2.458 -20.098 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.312 -3.117 -20.963 1.00 0.00 H new ATOM 0 HG LEU A 14 104.825 -0.306 -20.049 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.762 0.136 -22.288 1.00 0.00 H new ATOM 0 HD12 LEU A 14 105.087 -1.043 -22.432 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.397 -1.599 -22.442 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.431 0.288 -20.223 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.017 -1.435 -20.392 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.727 -0.835 -18.874 1.00 0.00 H new ATOM 249 N LEU A 15 103.878 -5.362 -18.670 1.00 0.00 N ATOM 250 CA LEU A 15 104.461 -6.720 -18.473 1.00 0.00 C ATOM 251 C LEU A 15 105.088 -7.213 -19.780 1.00 0.00 C ATOM 252 O LEU A 15 104.982 -6.574 -20.810 1.00 0.00 O ATOM 253 CB LEU A 15 103.290 -7.614 -18.057 1.00 0.00 C ATOM 254 CG LEU A 15 102.771 -7.179 -16.685 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.439 -7.875 -16.399 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.787 -7.567 -15.608 1.00 0.00 C ATOM 0 H LEU A 15 102.891 -5.343 -18.926 1.00 0.00 H new ATOM 0 HA LEU A 15 105.249 -6.725 -17.720 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.491 -7.550 -18.796 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.610 -8.656 -18.022 1.00 0.00 H new ATOM 0 HG LEU A 15 102.627 -6.099 -16.678 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.069 -7.565 -15.422 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.714 -7.601 -17.165 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.584 -8.955 -16.406 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.417 -7.257 -14.631 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.931 -8.647 -15.616 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.738 -7.073 -15.810 1.00 0.00 H new ATOM 268 N ASN A 16 105.741 -8.350 -19.740 1.00 0.00 N ATOM 269 CA ASN A 16 106.472 -8.872 -20.950 1.00 0.00 C ATOM 270 C ASN A 16 105.533 -9.020 -22.158 1.00 0.00 C ATOM 271 O ASN A 16 105.976 -9.061 -23.291 1.00 0.00 O ATOM 272 CB ASN A 16 107.038 -10.241 -20.532 1.00 0.00 C ATOM 273 CG ASN A 16 105.905 -11.179 -20.096 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.005 -11.461 -20.861 1.00 0.00 O ATOM 275 ND2 ASN A 16 105.915 -11.674 -18.889 1.00 0.00 N ATOM 0 H ASN A 16 105.802 -8.947 -18.916 1.00 0.00 H new ATOM 0 HA ASN A 16 107.257 -8.183 -21.261 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.586 -10.684 -21.364 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.748 -10.114 -19.715 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.167 -12.298 -18.588 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.671 -11.437 -18.247 1.00 0.00 H new ATOM 282 N ASN A 17 104.244 -9.101 -21.925 1.00 0.00 N ATOM 283 CA ASN A 17 103.280 -9.279 -23.056 1.00 0.00 C ATOM 284 C ASN A 17 102.736 -7.922 -23.538 1.00 0.00 C ATOM 285 O ASN A 17 101.673 -7.856 -24.128 1.00 0.00 O ATOM 286 CB ASN A 17 102.152 -10.160 -22.492 1.00 0.00 C ATOM 287 CG ASN A 17 101.431 -9.457 -21.331 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.929 -8.496 -20.778 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.270 -9.904 -20.936 1.00 0.00 N ATOM 0 H ASN A 17 103.818 -9.051 -20.999 1.00 0.00 H new ATOM 0 HA ASN A 17 103.754 -9.738 -23.924 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.437 -10.391 -23.282 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.564 -11.108 -22.148 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.783 -9.447 -20.165 1.00 0.00 H new ATOM 0 HD22 ASN A 17 99.850 -10.710 -21.398 1.00 0.00 H new ATOM 296 N ASP A 18 103.453 -6.838 -23.290 1.00 0.00 N ATOM 297 CA ASP A 18 103.044 -5.491 -23.824 1.00 0.00 C ATOM 298 C ASP A 18 101.638 -5.115 -23.335 1.00 0.00 C ATOM 299 O ASP A 18 100.938 -4.352 -23.974 1.00 0.00 O ATOM 300 CB ASP A 18 103.070 -5.610 -25.357 1.00 0.00 C ATOM 301 CG ASP A 18 104.499 -5.894 -25.830 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.412 -5.282 -25.298 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.655 -6.719 -26.714 1.00 0.00 O ATOM 0 H ASP A 18 104.310 -6.833 -22.736 1.00 0.00 H new ATOM 0 HA ASP A 18 103.719 -4.709 -23.476 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.404 -6.410 -25.680 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.704 -4.688 -25.809 1.00 0.00 H new ATOM 308 N SER A 19 101.224 -5.648 -22.207 1.00 0.00 N ATOM 309 CA SER A 19 99.960 -5.178 -21.571 1.00 0.00 C ATOM 310 C SER A 19 100.299 -4.234 -20.417 1.00 0.00 C ATOM 311 O SER A 19 101.289 -4.417 -19.733 1.00 0.00 O ATOM 312 CB SER A 19 99.276 -6.444 -21.053 1.00 0.00 C ATOM 313 OG SER A 19 100.036 -6.987 -19.982 1.00 0.00 O ATOM 0 H SER A 19 101.711 -6.389 -21.703 1.00 0.00 H new ATOM 0 HA SER A 19 99.316 -4.634 -22.262 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.266 -6.213 -20.716 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.184 -7.176 -21.856 1.00 0.00 H new ATOM 0 HG SER A 19 100.909 -7.282 -20.317 1.00 0.00 H new ATOM 319 N LYS A 20 99.488 -3.230 -20.196 1.00 0.00 N ATOM 320 CA LYS A 20 99.835 -2.198 -19.172 1.00 0.00 C ATOM 321 C LYS A 20 98.911 -2.305 -17.952 1.00 0.00 C ATOM 322 O LYS A 20 97.738 -2.608 -18.074 1.00 0.00 O ATOM 323 CB LYS A 20 99.657 -0.841 -19.880 1.00 0.00 C ATOM 324 CG LYS A 20 98.200 -0.647 -20.330 1.00 0.00 C ATOM 325 CD LYS A 20 98.012 0.784 -20.838 1.00 0.00 C ATOM 326 CE LYS A 20 98.699 0.939 -22.197 1.00 0.00 C ATOM 327 NZ LYS A 20 98.623 2.395 -22.502 1.00 0.00 N ATOM 0 H LYS A 20 98.602 -3.081 -20.679 1.00 0.00 H new ATOM 0 HA LYS A 20 100.851 -2.327 -18.798 1.00 0.00 H new ATOM 0 HB2 LYS A 20 99.945 -0.034 -19.206 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.319 -0.787 -20.744 1.00 0.00 H new ATOM 0 HG2 LYS A 20 97.953 -1.360 -21.117 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.522 -0.842 -19.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 96.950 1.013 -20.928 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.431 1.493 -20.124 1.00 0.00 H new ATOM 0 HE2 LYS A 20 99.733 0.597 -22.158 1.00 0.00 H new ATOM 0 HE3 LYS A 20 98.197 0.348 -22.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.074 2.581 -23.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 97.627 2.690 -22.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.115 2.931 -21.759 1.00 0.00 H new ATOM 341 N ALA A 21 99.442 -2.059 -16.779 1.00 0.00 N ATOM 342 CA ALA A 21 98.592 -2.029 -15.549 1.00 0.00 C ATOM 343 C ALA A 21 99.053 -0.900 -14.622 1.00 0.00 C ATOM 344 O ALA A 21 100.235 -0.633 -14.503 1.00 0.00 O ATOM 345 CB ALA A 21 98.807 -3.389 -14.885 1.00 0.00 C ATOM 0 H ALA A 21 100.433 -1.877 -16.621 1.00 0.00 H new ATOM 0 HA ALA A 21 97.541 -1.849 -15.775 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.215 -3.446 -13.972 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.498 -4.180 -15.568 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.862 -3.512 -14.641 1.00 0.00 H new ATOM 351 N ARG A 22 98.129 -0.236 -13.966 1.00 0.00 N ATOM 352 CA ARG A 22 98.507 0.908 -13.077 1.00 0.00 C ATOM 353 C ARG A 22 97.723 0.850 -11.764 1.00 0.00 C ATOM 354 O ARG A 22 96.571 0.461 -11.741 1.00 0.00 O ATOM 355 CB ARG A 22 98.158 2.180 -13.870 1.00 0.00 C ATOM 356 CG ARG A 22 96.661 2.210 -14.207 1.00 0.00 C ATOM 357 CD ARG A 22 96.377 3.364 -15.173 1.00 0.00 C ATOM 358 NE ARG A 22 94.889 3.385 -15.329 1.00 0.00 N ATOM 359 CZ ARG A 22 94.101 3.875 -14.389 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.584 4.354 -13.265 1.00 0.00 N ATOM 361 NH2 ARG A 22 92.811 3.880 -14.580 1.00 0.00 N ATOM 0 H ARG A 22 97.130 -0.438 -14.009 1.00 0.00 H new ATOM 0 HA ARG A 22 99.563 0.882 -12.810 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.423 3.063 -13.288 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.744 2.215 -14.788 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.360 1.264 -14.656 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.075 2.332 -13.296 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.745 4.310 -14.776 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.872 3.207 -16.131 1.00 0.00 H new ATOM 0 HE ARG A 22 94.473 3.012 -16.182 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.591 4.354 -13.101 1.00 0.00 H new ATOM 0 HH12 ARG A 22 93.952 4.726 -12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.422 3.509 -15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.191 4.255 -13.863 1.00 0.00 H new ATOM 375 N GLY A 23 98.346 1.236 -10.677 1.00 0.00 N ATOM 376 CA GLY A 23 97.645 1.220 -9.358 1.00 0.00 C ATOM 377 C GLY A 23 98.609 1.688 -8.266 1.00 0.00 C ATOM 378 O GLY A 23 99.704 2.138 -8.551 1.00 0.00 O ATOM 0 H GLY A 23 99.312 1.562 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.771 1.870 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.287 0.215 -9.136 1.00 0.00 H new ATOM 382 N VAL A 24 98.213 1.585 -7.020 1.00 0.00 N ATOM 383 CA VAL A 24 99.091 2.061 -5.905 1.00 0.00 C ATOM 384 C VAL A 24 99.956 0.900 -5.401 1.00 0.00 C ATOM 385 O VAL A 24 99.490 -0.212 -5.258 1.00 0.00 O ATOM 386 CB VAL A 24 98.135 2.547 -4.800 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.943 3.076 -3.609 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.242 3.675 -5.333 1.00 0.00 C ATOM 0 H VAL A 24 97.319 1.191 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 24 99.765 2.857 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 24 97.515 1.708 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.261 3.418 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.574 2.279 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.569 3.907 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.570 4.011 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.864 4.508 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.656 3.308 -6.176 1.00 0.00 H new ATOM 398 N ILE A 25 101.210 1.156 -5.132 1.00 0.00 N ATOM 399 CA ILE A 25 102.114 0.073 -4.623 1.00 0.00 C ATOM 400 C ILE A 25 101.857 -0.165 -3.129 1.00 0.00 C ATOM 401 O ILE A 25 101.671 0.767 -2.369 1.00 0.00 O ATOM 402 CB ILE A 25 103.542 0.599 -4.869 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.793 0.682 -6.380 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.586 -0.332 -4.228 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.050 1.515 -6.649 1.00 0.00 C ATOM 0 H ILE A 25 101.651 2.069 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 25 101.950 -0.882 -5.122 1.00 0.00 H new ATOM 0 HB ILE A 25 103.635 1.586 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.913 -0.319 -6.794 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.934 1.132 -6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.586 0.059 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.413 -0.388 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.500 -1.328 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.226 1.572 -7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.913 2.520 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.907 1.047 -6.166 1.00 0.00 H new ATOM 417 N THR A 26 101.846 -1.411 -2.709 1.00 0.00 N ATOM 418 CA THR A 26 101.592 -1.719 -1.268 1.00 0.00 C ATOM 419 C THR A 26 102.716 -2.576 -0.667 1.00 0.00 C ATOM 420 O THR A 26 103.070 -2.404 0.485 1.00 0.00 O ATOM 421 CB THR A 26 100.270 -2.487 -1.250 1.00 0.00 C ATOM 422 OG1 THR A 26 100.341 -3.572 -2.164 1.00 0.00 O ATOM 423 CG2 THR A 26 99.127 -1.552 -1.652 1.00 0.00 C ATOM 0 H THR A 26 102.002 -2.225 -3.304 1.00 0.00 H new ATOM 0 HA THR A 26 101.552 -0.808 -0.670 1.00 0.00 H new ATOM 0 HB THR A 26 100.086 -2.869 -0.246 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.454 -3.226 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.186 -2.101 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.072 -0.721 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.308 -1.167 -2.655 1.00 0.00 H new ATOM 431 N ASN A 27 103.284 -3.494 -1.424 1.00 0.00 N ATOM 432 CA ASN A 27 104.267 -4.448 -0.820 1.00 0.00 C ATOM 433 C ASN A 27 105.481 -4.639 -1.732 1.00 0.00 C ATOM 434 O ASN A 27 105.376 -4.575 -2.941 1.00 0.00 O ATOM 435 CB ASN A 27 103.499 -5.762 -0.670 1.00 0.00 C ATOM 436 CG ASN A 27 104.312 -6.734 0.188 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.894 -7.671 -0.322 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.378 -6.549 1.478 1.00 0.00 N ATOM 0 H ASN A 27 103.109 -3.620 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 27 104.653 -4.082 0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.529 -5.578 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.308 -6.198 -1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.918 -7.191 2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.890 -5.763 1.906 1.00 0.00 H new ATOM 445 N PHE A 28 106.630 -4.871 -1.146 1.00 0.00 N ATOM 446 CA PHE A 28 107.847 -5.203 -1.947 1.00 0.00 C ATOM 447 C PHE A 28 108.760 -6.126 -1.138 1.00 0.00 C ATOM 448 O PHE A 28 109.064 -5.858 0.010 1.00 0.00 O ATOM 449 CB PHE A 28 108.530 -3.862 -2.212 1.00 0.00 C ATOM 450 CG PHE A 28 109.644 -3.947 -3.227 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.342 -4.195 -4.589 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.989 -3.776 -2.820 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.387 -4.273 -5.542 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.033 -3.854 -3.773 1.00 0.00 C ATOM 455 CZ PHE A 28 111.732 -4.103 -5.135 1.00 0.00 C ATOM 0 H PHE A 28 106.777 -4.844 -0.137 1.00 0.00 H new ATOM 0 HA PHE A 28 107.608 -5.720 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.785 -3.146 -2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.931 -3.475 -1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.316 -4.324 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.219 -3.586 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.157 -4.462 -6.580 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.059 -3.724 -3.462 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.528 -4.163 -5.862 1.00 0.00 H new ATOM 465 N ASP A 29 109.197 -7.209 -1.730 1.00 0.00 N ATOM 466 CA ASP A 29 110.032 -8.199 -0.984 1.00 0.00 C ATOM 467 C ASP A 29 111.377 -8.389 -1.688 1.00 0.00 C ATOM 468 O ASP A 29 111.429 -8.757 -2.845 1.00 0.00 O ATOM 469 CB ASP A 29 109.224 -9.499 -1.011 1.00 0.00 C ATOM 470 CG ASP A 29 109.872 -10.528 -0.081 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.252 -10.151 1.016 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.975 -11.675 -0.482 1.00 0.00 O ATOM 0 H ASP A 29 109.010 -7.451 -2.703 1.00 0.00 H new ATOM 0 HA ASP A 29 110.248 -7.875 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.198 -9.307 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.180 -9.890 -2.027 1.00 0.00 H new ATOM 477 N SER A 30 112.460 -8.139 -0.993 1.00 0.00 N ATOM 478 CA SER A 30 113.814 -8.287 -1.618 1.00 0.00 C ATOM 479 C SER A 30 114.149 -9.766 -1.853 1.00 0.00 C ATOM 480 O SER A 30 114.926 -10.097 -2.729 1.00 0.00 O ATOM 481 CB SER A 30 114.794 -7.673 -0.616 1.00 0.00 C ATOM 482 OG SER A 30 114.842 -8.482 0.552 1.00 0.00 O ATOM 0 H SER A 30 112.466 -7.838 -0.018 1.00 0.00 H new ATOM 0 HA SER A 30 113.861 -7.796 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.786 -7.597 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.482 -6.661 -0.358 1.00 0.00 H new ATOM 0 HG SER A 30 115.470 -8.092 1.195 1.00 0.00 H new ATOM 488 N SER A 31 113.569 -10.657 -1.078 1.00 0.00 N ATOM 489 CA SER A 31 113.908 -12.115 -1.209 1.00 0.00 C ATOM 490 C SER A 31 113.550 -12.635 -2.606 1.00 0.00 C ATOM 491 O SER A 31 114.353 -13.274 -3.261 1.00 0.00 O ATOM 492 CB SER A 31 113.067 -12.826 -0.146 1.00 0.00 C ATOM 493 OG SER A 31 113.313 -12.232 1.122 1.00 0.00 O ATOM 0 H SER A 31 112.877 -10.438 -0.362 1.00 0.00 H new ATOM 0 HA SER A 31 114.975 -12.291 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.008 -12.754 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.316 -13.887 -0.118 1.00 0.00 H new ATOM 0 HG SER A 31 112.775 -12.684 1.805 1.00 0.00 H new ATOM 499 N ASN A 32 112.351 -12.364 -3.064 1.00 0.00 N ATOM 500 CA ASN A 32 111.934 -12.831 -4.425 1.00 0.00 C ATOM 501 C ASN A 32 111.469 -11.657 -5.301 1.00 0.00 C ATOM 502 O ASN A 32 110.918 -11.860 -6.368 1.00 0.00 O ATOM 503 CB ASN A 32 110.774 -13.795 -4.170 1.00 0.00 C ATOM 504 CG ASN A 32 111.294 -15.046 -3.459 1.00 0.00 C ATOM 505 OD1 ASN A 32 110.785 -15.427 -2.423 1.00 0.00 O ATOM 506 ND2 ASN A 32 112.294 -15.708 -3.975 1.00 0.00 N ATOM 0 H ASN A 32 111.642 -11.838 -2.553 1.00 0.00 H new ATOM 0 HA ASN A 32 112.760 -13.301 -4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.011 -13.309 -3.562 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.302 -14.070 -5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 32 112.647 -16.544 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 32 112.722 -15.390 -4.844 1.00 0.00 H new ATOM 513 N SER A 33 111.682 -10.427 -4.866 1.00 0.00 N ATOM 514 CA SER A 33 111.228 -9.227 -5.654 1.00 0.00 C ATOM 515 C SER A 33 109.743 -9.351 -6.039 1.00 0.00 C ATOM 516 O SER A 33 109.399 -9.484 -7.201 1.00 0.00 O ATOM 517 CB SER A 33 112.120 -9.198 -6.901 1.00 0.00 C ATOM 518 OG SER A 33 113.476 -9.381 -6.514 1.00 0.00 O ATOM 0 H SER A 33 112.156 -10.204 -3.990 1.00 0.00 H new ATOM 0 HA SER A 33 111.315 -8.307 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.819 -9.982 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.004 -8.248 -7.423 1.00 0.00 H new ATOM 0 HG SER A 33 114.048 -9.365 -7.309 1.00 0.00 H new ATOM 524 N ILE A 34 108.867 -9.308 -5.064 1.00 0.00 N ATOM 525 CA ILE A 34 107.403 -9.444 -5.353 1.00 0.00 C ATOM 526 C ILE A 34 106.686 -8.132 -5.014 1.00 0.00 C ATOM 527 O ILE A 34 106.899 -7.553 -3.966 1.00 0.00 O ATOM 528 CB ILE A 34 106.905 -10.587 -4.448 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.748 -11.864 -4.666 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.433 -10.887 -4.758 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.667 -12.350 -6.126 1.00 0.00 C ATOM 0 H ILE A 34 109.102 -9.184 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 34 107.208 -9.659 -6.404 1.00 0.00 H new ATOM 0 HB ILE A 34 107.007 -10.274 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.787 -11.665 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.397 -12.651 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.084 -11.696 -4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.834 -9.995 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.334 -11.184 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.271 -13.250 -6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.630 -12.573 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.042 -11.571 -6.790 1.00 0.00 H new ATOM 543 N LEU A 35 105.837 -7.665 -5.898 1.00 0.00 N ATOM 544 CA LEU A 35 105.190 -6.330 -5.704 1.00 0.00 C ATOM 545 C LEU A 35 103.667 -6.468 -5.754 1.00 0.00 C ATOM 546 O LEU A 35 103.114 -6.991 -6.704 1.00 0.00 O ATOM 547 CB LEU A 35 105.694 -5.488 -6.880 1.00 0.00 C ATOM 548 CG LEU A 35 105.213 -4.043 -6.731 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.168 -3.275 -5.814 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.183 -3.377 -8.109 1.00 0.00 C ATOM 0 H LEU A 35 105.563 -8.155 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 35 105.432 -5.882 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.783 -5.516 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.332 -5.906 -7.819 1.00 0.00 H new ATOM 0 HG LEU A 35 104.213 -4.035 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.823 -2.246 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.193 -3.751 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.169 -3.280 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.841 -2.347 -8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.184 -3.386 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.502 -3.923 -8.762 1.00 0.00 H new ATOM 562 N GLN A 36 102.992 -6.000 -4.733 1.00 0.00 N ATOM 563 CA GLN A 36 101.500 -5.984 -4.759 1.00 0.00 C ATOM 564 C GLN A 36 101.003 -4.574 -5.075 1.00 0.00 C ATOM 565 O GLN A 36 101.421 -3.610 -4.458 1.00 0.00 O ATOM 566 CB GLN A 36 101.070 -6.405 -3.355 1.00 0.00 C ATOM 567 CG GLN A 36 101.402 -7.882 -3.140 1.00 0.00 C ATOM 568 CD GLN A 36 100.990 -8.299 -1.727 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.722 -8.087 -0.780 1.00 0.00 O ATOM 570 NE2 GLN A 36 99.840 -8.889 -1.543 1.00 0.00 N ATOM 0 H GLN A 36 103.413 -5.628 -3.882 1.00 0.00 H new ATOM 0 HA GLN A 36 101.090 -6.648 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.579 -5.795 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.000 -6.239 -3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.881 -8.493 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.469 -8.050 -3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 36 99.225 -9.067 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.556 -9.172 -0.605 1.00 0.00 H new ATOM 579 N LEU A 37 100.115 -4.452 -6.031 1.00 0.00 N ATOM 580 CA LEU A 37 99.551 -3.112 -6.375 1.00 0.00 C ATOM 581 C LEU A 37 98.079 -3.044 -5.968 1.00 0.00 C ATOM 582 O LEU A 37 97.261 -3.815 -6.438 1.00 0.00 O ATOM 583 CB LEU A 37 99.689 -2.995 -7.895 1.00 0.00 C ATOM 584 CG LEU A 37 101.140 -2.679 -8.262 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.365 -2.974 -9.747 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.424 -1.199 -7.993 1.00 0.00 C ATOM 0 H LEU A 37 99.756 -5.226 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 37 100.067 -2.303 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.379 -3.926 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.031 -2.211 -8.270 1.00 0.00 H new ATOM 0 HG LEU A 37 101.808 -3.295 -7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.399 -2.749 -10.010 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.161 -4.027 -9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.696 -2.357 -10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.458 -0.974 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.755 -0.585 -8.596 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.262 -0.983 -6.937 1.00 0.00 H new ATOM 598 N ARG A 38 97.740 -2.126 -5.100 1.00 0.00 N ATOM 599 CA ARG A 38 96.308 -1.951 -4.705 1.00 0.00 C ATOM 600 C ARG A 38 95.671 -0.839 -5.543 1.00 0.00 C ATOM 601 O ARG A 38 96.151 0.279 -5.571 1.00 0.00 O ATOM 602 CB ARG A 38 96.344 -1.567 -3.225 1.00 0.00 C ATOM 603 CG ARG A 38 94.918 -1.528 -2.667 1.00 0.00 C ATOM 604 CD ARG A 38 94.954 -1.087 -1.200 1.00 0.00 C ATOM 605 NE ARG A 38 93.541 -1.204 -0.716 1.00 0.00 N ATOM 606 CZ ARG A 38 93.141 -0.606 0.390 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.963 0.112 1.122 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.900 -0.735 0.770 1.00 0.00 N ATOM 0 H ARG A 38 98.394 -1.488 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 38 95.717 -2.852 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.944 -2.286 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.819 -0.594 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.307 -0.839 -3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.457 -2.512 -2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.623 -1.719 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.318 -0.064 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 38 92.874 -1.758 -1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.937 0.218 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.627 0.563 1.973 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.252 -1.293 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.578 -0.278 1.623 1.00 0.00 H new ATOM 622 N LEU A 39 94.593 -1.141 -6.223 1.00 0.00 N ATOM 623 CA LEU A 39 93.988 -0.149 -7.163 1.00 0.00 C ATOM 624 C LEU A 39 92.755 0.513 -6.536 1.00 0.00 C ATOM 625 O LEU A 39 92.037 -0.095 -5.760 1.00 0.00 O ATOM 626 CB LEU A 39 93.606 -0.969 -8.400 1.00 0.00 C ATOM 627 CG LEU A 39 93.252 -0.042 -9.574 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.452 0.839 -9.936 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.892 -0.898 -10.786 1.00 0.00 C ATOM 0 H LEU A 39 94.105 -2.035 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 39 94.674 0.662 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.433 -1.621 -8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.757 -1.613 -8.169 1.00 0.00 H new ATOM 0 HG LEU A 39 92.414 0.593 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.187 1.490 -10.769 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.730 1.446 -9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.293 0.208 -10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.639 -0.251 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.742 -1.525 -11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.037 -1.530 -10.544 1.00 0.00 H new ATOM 641 N ALA A 40 92.510 1.757 -6.879 1.00 0.00 N ATOM 642 CA ALA A 40 91.407 2.537 -6.223 1.00 0.00 C ATOM 643 C ALA A 40 90.021 1.953 -6.543 1.00 0.00 C ATOM 644 O ALA A 40 89.027 2.380 -5.984 1.00 0.00 O ATOM 645 CB ALA A 40 91.524 3.955 -6.789 1.00 0.00 C ATOM 0 H ALA A 40 93.030 2.270 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 40 91.504 2.508 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.748 4.585 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.504 4.365 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.403 3.926 -7.872 1.00 0.00 H new ATOM 651 N ASN A 41 89.937 0.987 -7.432 1.00 0.00 N ATOM 652 CA ASN A 41 88.622 0.322 -7.707 1.00 0.00 C ATOM 653 C ASN A 41 88.378 -0.844 -6.729 1.00 0.00 C ATOM 654 O ASN A 41 87.708 -1.802 -7.066 1.00 0.00 O ATOM 655 CB ASN A 41 88.739 -0.209 -9.139 1.00 0.00 C ATOM 656 CG ASN A 41 88.791 0.966 -10.119 1.00 0.00 C ATOM 657 OD1 ASN A 41 89.394 1.983 -9.836 1.00 0.00 O ATOM 658 ND2 ASN A 41 88.179 0.869 -11.267 1.00 0.00 N ATOM 0 H ASN A 41 90.722 0.632 -7.978 1.00 0.00 H new ATOM 0 HA ASN A 41 87.788 1.013 -7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.636 -0.819 -9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.889 -0.851 -9.370 1.00 0.00 H new ATOM 0 HD21 ASN A 41 88.207 1.646 -11.927 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.673 0.016 -11.505 1.00 0.00 H new ATOM 665 N ASP A 42 88.914 -0.776 -5.517 1.00 0.00 N ATOM 666 CA ASP A 42 88.683 -1.863 -4.502 1.00 0.00 C ATOM 667 C ASP A 42 89.236 -3.202 -5.012 1.00 0.00 C ATOM 668 O ASP A 42 88.751 -4.255 -4.641 1.00 0.00 O ATOM 669 CB ASP A 42 87.162 -1.950 -4.310 1.00 0.00 C ATOM 670 CG ASP A 42 86.854 -2.662 -2.992 1.00 0.00 C ATOM 671 OD1 ASP A 42 86.728 -3.876 -3.012 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.749 -1.983 -1.984 1.00 0.00 O ATOM 0 H ASP A 42 89.503 -0.009 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 42 89.191 -1.643 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.728 -0.950 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.710 -2.490 -5.142 1.00 0.00 H new ATOM 677 N SER A 43 90.246 -3.170 -5.859 1.00 0.00 N ATOM 678 CA SER A 43 90.849 -4.443 -6.358 1.00 0.00 C ATOM 679 C SER A 43 92.332 -4.505 -5.984 1.00 0.00 C ATOM 680 O SER A 43 93.029 -3.509 -6.020 1.00 0.00 O ATOM 681 CB SER A 43 90.680 -4.393 -7.876 1.00 0.00 C ATOM 682 OG SER A 43 89.295 -4.327 -8.192 1.00 0.00 O ATOM 0 H SER A 43 90.673 -2.318 -6.221 1.00 0.00 H new ATOM 0 HA SER A 43 90.375 -5.324 -5.925 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.200 -3.526 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.127 -5.276 -8.333 1.00 0.00 H new ATOM 0 HG SER A 43 89.183 -4.293 -9.165 1.00 0.00 H new ATOM 688 N THR A 44 92.814 -5.670 -5.625 1.00 0.00 N ATOM 689 CA THR A 44 94.256 -5.814 -5.250 1.00 0.00 C ATOM 690 C THR A 44 94.894 -6.969 -6.030 1.00 0.00 C ATOM 691 O THR A 44 94.252 -7.965 -6.309 1.00 0.00 O ATOM 692 CB THR A 44 94.259 -6.099 -3.738 1.00 0.00 C ATOM 693 OG1 THR A 44 95.598 -6.249 -3.291 1.00 0.00 O ATOM 694 CG2 THR A 44 93.472 -7.381 -3.428 1.00 0.00 C ATOM 0 H THR A 44 92.269 -6.531 -5.575 1.00 0.00 H new ATOM 0 HA THR A 44 94.834 -4.921 -5.487 1.00 0.00 H new ATOM 0 HB THR A 44 93.785 -5.264 -3.223 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.603 -6.429 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.486 -7.566 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.441 -7.265 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.930 -8.223 -3.947 1.00 0.00 H new ATOM 702 N LYS A 45 96.149 -6.838 -6.383 1.00 0.00 N ATOM 703 CA LYS A 45 96.825 -7.906 -7.179 1.00 0.00 C ATOM 704 C LYS A 45 98.287 -8.050 -6.753 1.00 0.00 C ATOM 705 O LYS A 45 98.957 -7.076 -6.463 1.00 0.00 O ATOM 706 CB LYS A 45 96.735 -7.436 -8.631 1.00 0.00 C ATOM 707 CG LYS A 45 95.312 -7.654 -9.146 1.00 0.00 C ATOM 708 CD LYS A 45 95.267 -7.396 -10.655 1.00 0.00 C ATOM 709 CE LYS A 45 95.401 -5.894 -10.921 1.00 0.00 C ATOM 710 NZ LYS A 45 95.671 -5.786 -12.381 1.00 0.00 N ATOM 0 H LYS A 45 96.735 -6.035 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 45 96.359 -8.880 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 45 97.002 -6.381 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.446 -7.986 -9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.989 -8.673 -8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.622 -6.985 -8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 45 96.073 -7.937 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 45 94.330 -7.767 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 45 94.490 -5.362 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.212 -5.460 -10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 95.775 -4.785 -12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 96.547 -6.297 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.879 -6.201 -12.912 1.00 0.00 H new ATOM 724 N SER A 46 98.781 -9.264 -6.716 1.00 0.00 N ATOM 725 CA SER A 46 100.221 -9.489 -6.386 1.00 0.00 C ATOM 726 C SER A 46 100.971 -9.965 -7.631 1.00 0.00 C ATOM 727 O SER A 46 100.665 -11.003 -8.188 1.00 0.00 O ATOM 728 CB SER A 46 100.217 -10.577 -5.314 1.00 0.00 C ATOM 729 OG SER A 46 99.748 -11.794 -5.881 1.00 0.00 O ATOM 0 H SER A 46 98.245 -10.112 -6.901 1.00 0.00 H new ATOM 0 HA SER A 46 100.716 -8.581 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.222 -10.713 -4.913 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.579 -10.281 -4.481 1.00 0.00 H new ATOM 0 HG SER A 46 99.705 -11.706 -6.856 1.00 0.00 H new ATOM 735 N ILE A 47 101.951 -9.211 -8.072 1.00 0.00 N ATOM 736 CA ILE A 47 102.697 -9.587 -9.312 1.00 0.00 C ATOM 737 C ILE A 47 104.202 -9.563 -9.030 1.00 0.00 C ATOM 738 O ILE A 47 104.719 -8.605 -8.483 1.00 0.00 O ATOM 739 CB ILE A 47 102.316 -8.525 -10.358 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.798 -8.543 -10.591 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.027 -8.822 -11.684 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.388 -7.308 -11.397 1.00 0.00 C ATOM 0 H ILE A 47 102.265 -8.350 -7.624 1.00 0.00 H new ATOM 0 HA ILE A 47 102.450 -10.589 -9.661 1.00 0.00 H new ATOM 0 HB ILE A 47 102.619 -7.545 -9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.512 -9.449 -11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.273 -8.557 -9.636 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.753 -8.067 -12.421 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.106 -8.805 -11.530 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.728 -9.806 -12.045 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.311 -7.322 -11.562 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.659 -6.407 -10.846 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.902 -7.314 -12.358 1.00 0.00 H new ATOM 754 N VAL A 48 104.903 -10.605 -9.401 1.00 0.00 N ATOM 755 CA VAL A 48 106.383 -10.631 -9.181 1.00 0.00 C ATOM 756 C VAL A 48 107.056 -9.668 -10.166 1.00 0.00 C ATOM 757 O VAL A 48 106.719 -9.629 -11.331 1.00 0.00 O ATOM 758 CB VAL A 48 106.833 -12.081 -9.439 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.325 -12.224 -9.110 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.012 -13.055 -8.573 1.00 0.00 C ATOM 0 H VAL A 48 104.516 -11.437 -9.846 1.00 0.00 H new ATOM 0 HA VAL A 48 106.655 -10.319 -8.173 1.00 0.00 H new ATOM 0 HB VAL A 48 106.669 -12.321 -10.489 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.641 -13.251 -9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.903 -11.548 -9.740 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.492 -11.974 -8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.340 -14.077 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.160 -12.818 -7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.955 -12.960 -8.821 1.00 0.00 H new ATOM 770 N THR A 49 108.003 -8.895 -9.700 1.00 0.00 N ATOM 771 CA THR A 49 108.605 -7.818 -10.556 1.00 0.00 C ATOM 772 C THR A 49 109.305 -8.409 -11.786 1.00 0.00 C ATOM 773 O THR A 49 109.460 -7.743 -12.792 1.00 0.00 O ATOM 774 CB THR A 49 109.614 -7.091 -9.661 1.00 0.00 C ATOM 775 OG1 THR A 49 110.561 -8.026 -9.164 1.00 0.00 O ATOM 776 CG2 THR A 49 108.885 -6.427 -8.490 1.00 0.00 C ATOM 0 H THR A 49 108.390 -8.961 -8.759 1.00 0.00 H new ATOM 0 HA THR A 49 107.837 -7.143 -10.935 1.00 0.00 H new ATOM 0 HB THR A 49 110.127 -6.325 -10.243 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.197 -8.470 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.607 -5.912 -7.857 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.160 -5.708 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.368 -7.188 -7.905 1.00 0.00 H new ATOM 784 N LYS A 50 109.733 -9.646 -11.715 1.00 0.00 N ATOM 785 CA LYS A 50 110.506 -10.248 -12.854 1.00 0.00 C ATOM 786 C LYS A 50 109.696 -10.194 -14.155 1.00 0.00 C ATOM 787 O LYS A 50 110.255 -10.195 -15.237 1.00 0.00 O ATOM 788 CB LYS A 50 110.776 -11.702 -12.441 1.00 0.00 C ATOM 789 CG LYS A 50 111.716 -12.369 -13.452 1.00 0.00 C ATOM 790 CD LYS A 50 111.697 -13.884 -13.242 1.00 0.00 C ATOM 791 CE LYS A 50 112.754 -14.538 -14.134 1.00 0.00 C ATOM 792 NZ LYS A 50 113.122 -15.799 -13.433 1.00 0.00 N ATOM 0 H LYS A 50 109.582 -10.267 -10.920 1.00 0.00 H new ATOM 0 HA LYS A 50 111.431 -9.703 -13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.220 -11.729 -11.446 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.837 -12.253 -12.386 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.405 -12.128 -14.468 1.00 0.00 H new ATOM 0 HG3 LYS A 50 112.729 -11.987 -13.330 1.00 0.00 H new ATOM 0 HD2 LYS A 50 111.893 -14.119 -12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.710 -14.282 -13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.360 -14.740 -15.130 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.621 -13.889 -14.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.844 -16.305 -13.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.500 -15.575 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 112.279 -16.400 -13.333 1.00 0.00 H new ATOM 806 N ASP A 51 108.388 -10.147 -14.061 1.00 0.00 N ATOM 807 CA ASP A 51 107.555 -10.011 -15.299 1.00 0.00 C ATOM 808 C ASP A 51 107.366 -8.532 -15.687 1.00 0.00 C ATOM 809 O ASP A 51 106.591 -8.223 -16.575 1.00 0.00 O ATOM 810 CB ASP A 51 106.207 -10.684 -14.982 1.00 0.00 C ATOM 811 CG ASP A 51 105.508 -10.018 -13.784 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.740 -8.845 -13.546 1.00 0.00 O ATOM 813 OD2 ASP A 51 104.747 -10.704 -13.122 1.00 0.00 O ATOM 0 H ASP A 51 107.864 -10.197 -13.187 1.00 0.00 H new ATOM 0 HA ASP A 51 108.039 -10.484 -16.153 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.559 -10.632 -15.857 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.369 -11.740 -14.768 1.00 0.00 H new ATOM 818 N ILE A 52 108.058 -7.617 -15.037 1.00 0.00 N ATOM 819 CA ILE A 52 107.982 -6.180 -15.462 1.00 0.00 C ATOM 820 C ILE A 52 108.770 -5.981 -16.760 1.00 0.00 C ATOM 821 O ILE A 52 109.982 -6.102 -16.785 1.00 0.00 O ATOM 822 CB ILE A 52 108.611 -5.369 -14.312 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.737 -5.501 -13.055 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.718 -3.887 -14.710 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.462 -4.882 -11.853 1.00 0.00 C ATOM 0 H ILE A 52 108.665 -7.803 -14.239 1.00 0.00 H new ATOM 0 HA ILE A 52 106.957 -5.862 -15.653 1.00 0.00 H new ATOM 0 HB ILE A 52 109.609 -5.756 -14.106 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.781 -5.002 -13.211 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.520 -6.551 -12.860 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.163 -3.322 -13.891 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.343 -3.793 -15.598 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.724 -3.495 -14.923 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.839 -4.978 -10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.407 -5.401 -11.692 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.656 -3.827 -12.049 1.00 0.00 H new ATOM 837 N LYS A 53 108.086 -5.676 -17.835 1.00 0.00 N ATOM 838 CA LYS A 53 108.798 -5.265 -19.086 1.00 0.00 C ATOM 839 C LYS A 53 109.210 -3.793 -18.990 1.00 0.00 C ATOM 840 O LYS A 53 110.290 -3.417 -19.409 1.00 0.00 O ATOM 841 CB LYS A 53 107.791 -5.472 -20.221 1.00 0.00 C ATOM 842 CG LYS A 53 108.457 -5.177 -21.569 1.00 0.00 C ATOM 843 CD LYS A 53 109.444 -6.295 -21.910 1.00 0.00 C ATOM 844 CE LYS A 53 110.064 -6.028 -23.283 1.00 0.00 C ATOM 845 NZ LYS A 53 111.161 -5.052 -23.025 1.00 0.00 N ATOM 0 H LYS A 53 107.068 -5.694 -17.901 1.00 0.00 H new ATOM 0 HA LYS A 53 109.706 -5.844 -19.251 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.418 -6.496 -20.206 1.00 0.00 H new ATOM 0 HB3 LYS A 53 106.931 -4.818 -20.080 1.00 0.00 H new ATOM 0 HG2 LYS A 53 107.701 -5.096 -22.350 1.00 0.00 H new ATOM 0 HG3 LYS A 53 108.977 -4.220 -21.527 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.225 -6.349 -21.151 1.00 0.00 H new ATOM 0 HD3 LYS A 53 108.933 -7.258 -21.911 1.00 0.00 H new ATOM 0 HE2 LYS A 53 110.448 -6.946 -23.728 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.328 -5.621 -23.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 111.139 -4.305 -23.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 111.033 -4.627 -22.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 112.077 -5.542 -23.061 1.00 0.00 H new ATOM 859 N ASP A 54 108.357 -2.962 -18.438 1.00 0.00 N ATOM 860 CA ASP A 54 108.664 -1.491 -18.385 1.00 0.00 C ATOM 861 C ASP A 54 107.950 -0.833 -17.204 1.00 0.00 C ATOM 862 O ASP A 54 106.945 -1.323 -16.729 1.00 0.00 O ATOM 863 CB ASP A 54 108.140 -0.914 -19.703 1.00 0.00 C ATOM 864 CG ASP A 54 109.029 -1.373 -20.860 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.236 -1.245 -20.741 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.487 -1.846 -21.845 1.00 0.00 O ATOM 0 H ASP A 54 107.466 -3.234 -18.023 1.00 0.00 H new ATOM 0 HA ASP A 54 109.731 -1.311 -18.255 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.113 -1.239 -19.870 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.125 0.175 -19.654 1.00 0.00 H new ATOM 871 N LEU A 55 108.464 0.279 -16.730 1.00 0.00 N ATOM 872 CA LEU A 55 107.855 0.952 -15.542 1.00 0.00 C ATOM 873 C LEU A 55 107.726 2.461 -15.774 1.00 0.00 C ATOM 874 O LEU A 55 108.571 3.074 -16.399 1.00 0.00 O ATOM 875 CB LEU A 55 108.825 0.685 -14.391 1.00 0.00 C ATOM 876 CG LEU A 55 108.589 -0.714 -13.830 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.851 -1.198 -13.112 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.423 -0.676 -12.838 1.00 0.00 C ATOM 0 H LEU A 55 109.282 0.749 -17.118 1.00 0.00 H new ATOM 0 HA LEU A 55 106.852 0.575 -15.340 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.853 0.778 -14.741 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.687 1.429 -13.607 1.00 0.00 H new ATOM 0 HG LEU A 55 108.352 -1.396 -14.647 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.681 -2.197 -12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.682 -1.226 -13.816 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.089 -0.516 -12.296 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.254 -1.675 -12.437 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.661 0.007 -12.023 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.523 -0.332 -13.348 1.00 0.00 H new ATOM 890 N ARG A 56 106.671 3.057 -15.272 1.00 0.00 N ATOM 891 CA ARG A 56 106.559 4.547 -15.291 1.00 0.00 C ATOM 892 C ARG A 56 105.793 5.026 -14.048 1.00 0.00 C ATOM 893 O ARG A 56 105.052 4.273 -13.444 1.00 0.00 O ATOM 894 CB ARG A 56 105.794 4.878 -16.584 1.00 0.00 C ATOM 895 CG ARG A 56 104.335 4.395 -16.489 1.00 0.00 C ATOM 896 CD ARG A 56 103.834 3.957 -17.870 1.00 0.00 C ATOM 897 NE ARG A 56 103.871 5.188 -18.725 1.00 0.00 N ATOM 898 CZ ARG A 56 103.214 5.252 -19.867 1.00 0.00 C ATOM 899 NH1 ARG A 56 102.502 4.242 -20.311 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.275 6.348 -20.575 1.00 0.00 N ATOM 0 H ARG A 56 105.880 2.572 -14.848 1.00 0.00 H new ATOM 0 HA ARG A 56 107.530 5.043 -15.271 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.816 5.953 -16.761 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.285 4.405 -17.435 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.264 3.564 -15.787 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.704 5.194 -16.101 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.467 3.173 -18.285 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.824 3.553 -17.810 1.00 0.00 H new ATOM 0 HE ARG A 56 104.416 5.993 -18.417 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.447 3.380 -19.769 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.004 4.320 -21.198 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.825 7.140 -20.243 1.00 0.00 H new ATOM 0 HH22 ARG A 56 102.772 6.412 -21.460 1.00 0.00 H new ATOM 914 N ILE A 57 105.970 6.267 -13.668 1.00 0.00 N ATOM 915 CA ILE A 57 105.189 6.822 -12.516 1.00 0.00 C ATOM 916 C ILE A 57 104.263 7.935 -13.017 1.00 0.00 C ATOM 917 O ILE A 57 104.688 8.838 -13.715 1.00 0.00 O ATOM 918 CB ILE A 57 106.233 7.371 -11.530 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.191 6.247 -11.103 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.520 7.919 -10.287 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.363 6.836 -10.312 1.00 0.00 C ATOM 0 H ILE A 57 106.621 6.920 -14.104 1.00 0.00 H new ATOM 0 HA ILE A 57 104.561 6.071 -12.037 1.00 0.00 H new ATOM 0 HB ILE A 57 106.799 8.166 -12.016 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.660 5.516 -10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.562 5.720 -11.982 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.258 8.309 -9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.840 8.719 -10.580 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.954 7.119 -9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.039 6.035 -10.012 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.901 7.550 -10.936 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.985 7.343 -9.424 1.00 0.00 H new ATOM 933 N LEU A 58 103.002 7.873 -12.664 1.00 0.00 N ATOM 934 CA LEU A 58 102.018 8.872 -13.195 1.00 0.00 C ATOM 935 C LEU A 58 102.080 10.164 -12.365 1.00 0.00 C ATOM 936 O LEU A 58 102.608 10.159 -11.269 1.00 0.00 O ATOM 937 CB LEU A 58 100.635 8.214 -13.056 1.00 0.00 C ATOM 938 CG LEU A 58 100.595 6.884 -13.820 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.340 6.105 -13.423 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.572 7.148 -15.329 1.00 0.00 C ATOM 0 H LEU A 58 102.610 7.175 -12.032 1.00 0.00 H new ATOM 0 HA LEU A 58 102.231 9.139 -14.230 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.411 8.042 -12.003 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.866 8.884 -13.440 1.00 0.00 H new ATOM 0 HG LEU A 58 101.483 6.303 -13.571 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.311 5.160 -13.966 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.358 5.907 -12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.455 6.692 -13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.544 6.199 -15.864 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.689 7.734 -15.582 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.467 7.699 -15.616 1.00 0.00 H new ATOM 952 N PRO A 59 101.540 11.238 -12.913 1.00 0.00 N ATOM 953 CA PRO A 59 101.556 12.547 -12.200 1.00 0.00 C ATOM 954 C PRO A 59 100.791 12.452 -10.873 1.00 0.00 C ATOM 955 O PRO A 59 99.796 11.758 -10.771 1.00 0.00 O ATOM 956 CB PRO A 59 100.856 13.512 -13.165 1.00 0.00 C ATOM 957 CG PRO A 59 100.843 12.819 -14.492 1.00 0.00 C ATOM 958 CD PRO A 59 100.876 11.341 -14.221 1.00 0.00 C ATOM 0 HA PRO A 59 102.565 12.872 -11.946 1.00 0.00 H new ATOM 0 HB2 PRO A 59 99.843 13.735 -12.830 1.00 0.00 H new ATOM 0 HB3 PRO A 59 101.388 14.461 -13.224 1.00 0.00 H new ATOM 0 HG2 PRO A 59 99.950 13.087 -15.057 1.00 0.00 H new ATOM 0 HG3 PRO A 59 101.702 13.120 -15.092 1.00 0.00 H new ATOM 0 HD2 PRO A 59 99.872 10.917 -14.194 1.00 0.00 H new ATOM 0 HD3 PRO A 59 101.428 10.805 -14.993 1.00 0.00 H new ATOM 966 N LYS A 60 101.252 13.148 -9.861 1.00 0.00 N ATOM 967 CA LYS A 60 100.566 13.103 -8.535 1.00 0.00 C ATOM 968 C LYS A 60 99.681 14.341 -8.351 1.00 0.00 C ATOM 969 O LYS A 60 99.498 14.823 -7.247 1.00 0.00 O ATOM 970 CB LYS A 60 101.698 13.092 -7.505 1.00 0.00 C ATOM 971 CG LYS A 60 101.162 12.601 -6.158 1.00 0.00 C ATOM 972 CD LYS A 60 102.282 12.639 -5.117 1.00 0.00 C ATOM 973 CE LYS A 60 101.789 12.009 -3.813 1.00 0.00 C ATOM 974 NZ LYS A 60 102.997 11.922 -2.948 1.00 0.00 N ATOM 0 H LYS A 60 102.077 13.747 -9.899 1.00 0.00 H new ATOM 0 HA LYS A 60 99.916 12.234 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 60 102.506 12.444 -7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 60 102.116 14.093 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 60 100.330 13.228 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 60 100.777 11.586 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 60 103.155 12.100 -5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 60 102.594 13.668 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 60 101.014 12.618 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 60 101.357 11.024 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 102.739 11.499 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 103.715 11.331 -3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 103.382 12.876 -2.792 1.00 0.00 H new ATOM 988 N ASN A 61 99.132 14.857 -9.424 1.00 0.00 N ATOM 989 CA ASN A 61 98.249 16.062 -9.323 1.00 0.00 C ATOM 990 C ASN A 61 97.008 15.888 -10.207 1.00 0.00 C ATOM 991 O ASN A 61 96.998 15.087 -11.123 1.00 0.00 O ATOM 992 CB ASN A 61 99.110 17.242 -9.804 1.00 0.00 C ATOM 993 CG ASN A 61 99.599 17.005 -11.240 1.00 0.00 C ATOM 994 OD1 ASN A 61 98.805 16.840 -12.145 1.00 0.00 O ATOM 995 ND2 ASN A 61 100.880 16.980 -11.484 1.00 0.00 N ATOM 0 H ASN A 61 99.258 14.494 -10.369 1.00 0.00 H new ATOM 0 HA ASN A 61 97.888 16.222 -8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 61 98.530 18.164 -9.759 1.00 0.00 H new ATOM 0 HB3 ASN A 61 99.965 17.370 -9.140 1.00 0.00 H new ATOM 0 HD21 ASN A 61 101.215 16.822 -12.434 1.00 0.00 H new ATOM 0 HD22 ASN A 61 101.547 17.118 -10.725 1.00 0.00 H new ATOM 1002 N GLU A 62 95.965 16.636 -9.936 1.00 0.00 N ATOM 1003 CA GLU A 62 94.715 16.519 -10.747 1.00 0.00 C ATOM 1004 C GLU A 62 94.175 17.911 -11.088 1.00 0.00 C ATOM 1005 O GLU A 62 94.058 18.766 -10.229 1.00 0.00 O ATOM 1006 CB GLU A 62 93.734 15.763 -9.850 1.00 0.00 C ATOM 1007 CG GLU A 62 92.481 15.401 -10.650 1.00 0.00 C ATOM 1008 CD GLU A 62 91.442 14.774 -9.720 1.00 0.00 C ATOM 1009 OE1 GLU A 62 91.712 13.704 -9.197 1.00 0.00 O ATOM 1010 OE2 GLU A 62 90.394 15.374 -9.544 1.00 0.00 O ATOM 0 H GLU A 62 95.927 17.325 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 62 94.880 16.004 -11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 62 94.203 14.859 -9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 62 93.464 16.377 -8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 62 92.069 16.292 -11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 62 92.736 14.705 -11.449 1.00 0.00 H new ATOM 1017 N ILE A 63 93.843 18.140 -12.336 1.00 0.00 N ATOM 1018 CA ILE A 63 93.301 19.475 -12.746 1.00 0.00 C ATOM 1019 C ILE A 63 91.771 19.473 -12.625 1.00 0.00 C ATOM 1020 O ILE A 63 91.185 20.381 -12.065 1.00 0.00 O ATOM 1021 CB ILE A 63 93.738 19.663 -14.209 1.00 0.00 C ATOM 1022 CG1 ILE A 63 95.270 19.636 -14.302 1.00 0.00 C ATOM 1023 CG2 ILE A 63 93.231 21.014 -14.734 1.00 0.00 C ATOM 1024 CD1 ILE A 63 95.694 19.528 -15.769 1.00 0.00 C ATOM 0 H ILE A 63 93.924 17.458 -13.090 1.00 0.00 H new ATOM 0 HA ILE A 63 93.670 20.285 -12.117 1.00 0.00 H new ATOM 0 HB ILE A 63 93.319 18.855 -14.808 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.687 20.540 -13.858 1.00 0.00 H new ATOM 0 HG13 ILE A 63 95.664 18.792 -13.736 1.00 0.00 H new ATOM 0 HG21 ILE A 63 93.543 21.142 -15.770 1.00 0.00 H new ATOM 0 HG22 ILE A 63 92.143 21.041 -14.677 1.00 0.00 H new ATOM 0 HG23 ILE A 63 93.646 21.819 -14.128 1.00 0.00 H new ATOM 0 HD11 ILE A 63 96.782 19.509 -15.833 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.289 18.611 -16.198 1.00 0.00 H new ATOM 0 HD13 ILE A 63 95.313 20.387 -16.322 1.00 0.00 H new ATOM 1036 N MET A 64 91.127 18.457 -13.148 1.00 0.00 N ATOM 1037 CA MET A 64 89.633 18.388 -13.086 1.00 0.00 C ATOM 1038 C MET A 64 89.191 17.206 -12.209 1.00 0.00 C ATOM 1039 O MET A 64 89.966 16.297 -11.977 1.00 0.00 O ATOM 1040 CB MET A 64 89.187 18.179 -14.533 1.00 0.00 C ATOM 1041 CG MET A 64 89.458 19.450 -15.341 1.00 0.00 C ATOM 1042 SD MET A 64 89.463 19.053 -17.106 1.00 0.00 S ATOM 1043 CE MET A 64 89.225 20.739 -17.719 1.00 0.00 C ATOM 0 H MET A 64 91.574 17.669 -13.617 1.00 0.00 H new ATOM 0 HA MET A 64 89.196 19.286 -12.650 1.00 0.00 H new ATOM 0 HB2 MET A 64 89.722 17.336 -14.971 1.00 0.00 H new ATOM 0 HB3 MET A 64 88.125 17.934 -14.565 1.00 0.00 H new ATOM 0 HG2 MET A 64 88.695 20.199 -15.128 1.00 0.00 H new ATOM 0 HG3 MET A 64 90.417 19.880 -15.051 1.00 0.00 H new ATOM 0 HE1 MET A 64 89.197 20.729 -18.809 1.00 0.00 H new ATOM 0 HE2 MET A 64 88.285 21.136 -17.335 1.00 0.00 H new ATOM 0 HE3 MET A 64 90.049 21.368 -17.383 1.00 0.00 H new ATOM 1053 N PRO A 65 87.955 17.250 -11.747 1.00 0.00 N ATOM 1054 CA PRO A 65 87.435 16.165 -10.871 1.00 0.00 C ATOM 1055 C PRO A 65 87.349 14.843 -11.647 1.00 0.00 C ATOM 1056 O PRO A 65 86.761 14.778 -12.711 1.00 0.00 O ATOM 1057 CB PRO A 65 86.042 16.649 -10.463 1.00 0.00 C ATOM 1058 CG PRO A 65 85.665 17.682 -11.477 1.00 0.00 C ATOM 1059 CD PRO A 65 86.941 18.290 -11.988 1.00 0.00 C ATOM 0 HA PRO A 65 88.076 15.973 -10.011 1.00 0.00 H new ATOM 0 HB2 PRO A 65 85.327 15.826 -10.456 1.00 0.00 H new ATOM 0 HB3 PRO A 65 86.052 17.071 -9.458 1.00 0.00 H new ATOM 0 HG2 PRO A 65 85.100 17.232 -12.293 1.00 0.00 H new ATOM 0 HG3 PRO A 65 85.027 18.445 -11.030 1.00 0.00 H new ATOM 0 HD2 PRO A 65 86.868 18.538 -13.047 1.00 0.00 H new ATOM 0 HD3 PRO A 65 87.183 19.213 -11.460 1.00 0.00 H new ATOM 1067 N LYS A 66 87.933 13.796 -11.116 1.00 0.00 N ATOM 1068 CA LYS A 66 87.894 12.468 -11.813 1.00 0.00 C ATOM 1069 C LYS A 66 86.459 11.931 -11.854 1.00 0.00 C ATOM 1070 O LYS A 66 86.027 11.373 -12.846 1.00 0.00 O ATOM 1071 CB LYS A 66 88.789 11.543 -10.981 1.00 0.00 C ATOM 1072 CG LYS A 66 89.002 10.226 -11.728 1.00 0.00 C ATOM 1073 CD LYS A 66 89.835 9.278 -10.865 1.00 0.00 C ATOM 1074 CE LYS A 66 90.184 8.024 -11.671 1.00 0.00 C ATOM 1075 NZ LYS A 66 91.384 8.401 -12.468 1.00 0.00 N ATOM 0 H LYS A 66 88.436 13.802 -10.229 1.00 0.00 H new ATOM 0 HA LYS A 66 88.237 12.540 -12.845 1.00 0.00 H new ATOM 0 HB2 LYS A 66 89.748 12.024 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.330 11.352 -10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 66 88.040 9.770 -11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 66 89.508 10.411 -12.676 1.00 0.00 H new ATOM 0 HD2 LYS A 66 90.747 9.776 -10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 66 89.280 9.003 -9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 66 90.395 7.179 -11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 66 89.358 7.727 -12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 91.323 7.971 -13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 91.428 9.436 -12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 92.241 8.060 -11.987 1.00 0.00 H new ATOM 1089 N ASN A 67 85.723 12.099 -10.782 1.00 0.00 N ATOM 1090 CA ASN A 67 84.317 11.591 -10.740 1.00 0.00 C ATOM 1091 C ASN A 67 83.430 12.540 -9.922 1.00 0.00 C ATOM 1092 O ASN A 67 83.874 13.578 -9.467 1.00 0.00 O ATOM 1093 CB ASN A 67 84.407 10.204 -10.079 1.00 0.00 C ATOM 1094 CG ASN A 67 84.948 10.311 -8.644 1.00 0.00 C ATOM 1095 OD1 ASN A 67 85.558 11.298 -8.277 1.00 0.00 O ATOM 1096 ND2 ASN A 67 84.747 9.327 -7.811 1.00 0.00 N ATOM 0 H ASN A 67 86.037 12.568 -9.932 1.00 0.00 H new ATOM 0 HA ASN A 67 83.870 11.531 -11.732 1.00 0.00 H new ATOM 0 HB2 ASN A 67 83.421 9.739 -10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 67 85.057 9.558 -10.669 1.00 0.00 H new ATOM 0 HD21 ASN A 67 85.101 9.387 -6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 67 84.236 8.498 -8.115 1.00 0.00 H new ATOM 1103 N GLY A 68 82.182 12.184 -9.736 1.00 0.00 N ATOM 1104 CA GLY A 68 81.254 13.053 -8.953 1.00 0.00 C ATOM 1105 C GLY A 68 80.249 12.180 -8.199 1.00 0.00 C ATOM 1106 O GLY A 68 80.376 10.970 -8.161 1.00 0.00 O ATOM 0 H GLY A 68 81.766 11.325 -10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 68 81.819 13.665 -8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.729 13.736 -9.620 1.00 0.00 H new ATOM 1110 N THR A 69 79.252 12.788 -7.599 1.00 0.00 N ATOM 1111 CA THR A 69 78.227 11.998 -6.838 1.00 0.00 C ATOM 1112 C THR A 69 77.447 11.072 -7.784 1.00 0.00 C ATOM 1113 O THR A 69 77.005 10.007 -7.394 1.00 0.00 O ATOM 1114 CB THR A 69 77.295 13.035 -6.183 1.00 0.00 C ATOM 1115 OG1 THR A 69 76.307 12.359 -5.420 1.00 0.00 O ATOM 1116 CG2 THR A 69 76.608 13.900 -7.249 1.00 0.00 C ATOM 0 H THR A 69 79.103 13.797 -7.603 1.00 0.00 H new ATOM 0 HA THR A 69 78.689 11.356 -6.088 1.00 0.00 H new ATOM 0 HB THR A 69 77.890 13.683 -5.539 1.00 0.00 H new ATOM 0 HG1 THR A 69 75.712 13.015 -5.000 1.00 0.00 H new ATOM 0 HG21 THR A 69 75.955 14.625 -6.764 1.00 0.00 H new ATOM 0 HG22 THR A 69 77.363 14.426 -7.833 1.00 0.00 H new ATOM 0 HG23 THR A 69 76.017 13.264 -7.908 1.00 0.00 H new ATOM 1124 N LYS A 70 77.276 11.476 -9.021 1.00 0.00 N ATOM 1125 CA LYS A 70 76.552 10.617 -10.007 1.00 0.00 C ATOM 1126 C LYS A 70 77.280 10.631 -11.354 1.00 0.00 C ATOM 1127 O LYS A 70 77.761 9.612 -11.816 1.00 0.00 O ATOM 1128 CB LYS A 70 75.164 11.248 -10.139 1.00 0.00 C ATOM 1129 CG LYS A 70 74.395 11.074 -8.828 1.00 0.00 C ATOM 1130 CD LYS A 70 72.971 11.606 -8.995 1.00 0.00 C ATOM 1131 CE LYS A 70 72.237 11.535 -7.655 1.00 0.00 C ATOM 1132 NZ LYS A 70 70.797 11.704 -7.996 1.00 0.00 N ATOM 0 H LYS A 70 77.609 12.367 -9.389 1.00 0.00 H new ATOM 0 HA LYS A 70 76.497 9.576 -9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 70 75.256 12.307 -10.381 1.00 0.00 H new ATOM 0 HB3 LYS A 70 74.617 10.781 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 70 74.370 10.021 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 70 74.902 11.608 -8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 70 72.996 12.635 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 70 72.439 11.020 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 70 72.416 10.582 -7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 70 72.577 12.318 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 70.228 11.667 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 70.656 12.623 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 70.500 10.941 -8.637 1.00 0.00 H new ATOM 1146 N SER A 71 77.363 11.779 -11.981 1.00 0.00 N ATOM 1147 CA SER A 71 78.072 11.877 -13.293 1.00 0.00 C ATOM 1148 C SER A 71 78.875 13.186 -13.365 1.00 0.00 C ATOM 1149 O SER A 71 78.560 14.133 -12.670 1.00 0.00 O ATOM 1150 CB SER A 71 76.964 11.868 -14.344 1.00 0.00 C ATOM 1151 OG SER A 71 76.168 13.038 -14.196 1.00 0.00 O ATOM 0 H SER A 71 76.968 12.655 -11.638 1.00 0.00 H new ATOM 0 HA SER A 71 78.780 11.062 -13.442 1.00 0.00 H new ATOM 0 HB2 SER A 71 77.396 11.832 -15.344 1.00 0.00 H new ATOM 0 HB3 SER A 71 76.346 10.977 -14.231 1.00 0.00 H new ATOM 0 HG SER A 71 75.457 13.037 -14.870 1.00 0.00 H new ATOM 1157 N PRO A 72 79.892 13.203 -14.209 1.00 0.00 N ATOM 1158 CA PRO A 72 80.729 14.423 -14.359 1.00 0.00 C ATOM 1159 C PRO A 72 79.914 15.554 -14.998 1.00 0.00 C ATOM 1160 O PRO A 72 79.102 15.323 -15.876 1.00 0.00 O ATOM 1161 CB PRO A 72 81.868 13.982 -15.281 1.00 0.00 C ATOM 1162 CG PRO A 72 81.356 12.769 -15.991 1.00 0.00 C ATOM 1163 CD PRO A 72 80.353 12.112 -15.083 1.00 0.00 C ATOM 0 HA PRO A 72 81.092 14.808 -13.406 1.00 0.00 H new ATOM 0 HB2 PRO A 72 82.129 14.770 -15.987 1.00 0.00 H new ATOM 0 HB3 PRO A 72 82.769 13.753 -14.711 1.00 0.00 H new ATOM 0 HG2 PRO A 72 80.894 13.045 -16.939 1.00 0.00 H new ATOM 0 HG3 PRO A 72 82.173 12.085 -16.221 1.00 0.00 H new ATOM 0 HD2 PRO A 72 79.528 11.678 -15.648 1.00 0.00 H new ATOM 0 HD3 PRO A 72 80.805 11.304 -14.508 1.00 0.00 H new ATOM 1171 N SER A 73 80.128 16.772 -14.561 1.00 0.00 N ATOM 1172 CA SER A 73 79.376 17.929 -15.138 1.00 0.00 C ATOM 1173 C SER A 73 80.344 19.050 -15.526 1.00 0.00 C ATOM 1174 O SER A 73 81.401 19.197 -14.939 1.00 0.00 O ATOM 1175 CB SER A 73 78.443 18.390 -14.019 1.00 0.00 C ATOM 1176 OG SER A 73 79.219 18.894 -12.939 1.00 0.00 O ATOM 0 H SER A 73 80.794 17.014 -13.827 1.00 0.00 H new ATOM 0 HA SER A 73 78.829 17.657 -16.041 1.00 0.00 H new ATOM 0 HB2 SER A 73 77.767 19.162 -14.388 1.00 0.00 H new ATOM 0 HB3 SER A 73 77.824 17.559 -13.681 1.00 0.00 H new ATOM 0 HG SER A 73 78.624 19.192 -12.220 1.00 0.00 H new ATOM 1182 N THR A 74 79.988 19.840 -16.510 1.00 0.00 N ATOM 1183 CA THR A 74 80.874 20.963 -16.944 1.00 0.00 C ATOM 1184 C THR A 74 80.076 22.268 -17.016 1.00 0.00 C ATOM 1185 O THR A 74 78.859 22.260 -17.023 1.00 0.00 O ATOM 1186 CB THR A 74 81.373 20.562 -18.334 1.00 0.00 C ATOM 1187 OG1 THR A 74 80.261 20.256 -19.164 1.00 0.00 O ATOM 1188 CG2 THR A 74 82.281 19.336 -18.222 1.00 0.00 C ATOM 0 H THR A 74 79.117 19.754 -17.033 1.00 0.00 H new ATOM 0 HA THR A 74 81.697 21.131 -16.249 1.00 0.00 H new ATOM 0 HB THR A 74 81.936 21.388 -18.769 1.00 0.00 H new ATOM 0 HG1 THR A 74 80.579 20.001 -20.055 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.634 19.053 -19.214 1.00 0.00 H new ATOM 0 HG22 THR A 74 83.134 19.572 -17.586 1.00 0.00 H new ATOM 0 HG23 THR A 74 81.722 18.508 -17.786 1.00 0.00 H new ATOM 1196 N ASN A 75 80.758 23.395 -17.071 1.00 0.00 N ATOM 1197 CA ASN A 75 80.063 24.728 -17.155 1.00 0.00 C ATOM 1198 C ASN A 75 79.046 24.889 -16.014 1.00 0.00 C ATOM 1199 O ASN A 75 78.905 24.020 -15.172 1.00 0.00 O ATOM 1200 CB ASN A 75 79.354 24.737 -18.516 1.00 0.00 C ATOM 1201 CG ASN A 75 79.259 26.172 -19.040 1.00 0.00 C ATOM 1202 OD1 ASN A 75 80.264 26.820 -19.255 1.00 0.00 O ATOM 1203 ND2 ASN A 75 78.084 26.698 -19.255 1.00 0.00 N ATOM 0 H ASN A 75 81.777 23.448 -17.061 1.00 0.00 H new ATOM 0 HA ASN A 75 80.769 25.553 -17.061 1.00 0.00 H new ATOM 0 HB2 ASN A 75 79.901 24.116 -19.226 1.00 0.00 H new ATOM 0 HB3 ASN A 75 78.357 24.308 -18.420 1.00 0.00 H new ATOM 0 HD21 ASN A 75 78.009 27.654 -19.604 1.00 0.00 H new ATOM 0 HD22 ASN A 75 77.241 26.153 -19.074 1.00 0.00 H new ATOM 1210 N SER A 76 78.344 25.996 -15.983 1.00 0.00 N ATOM 1211 CA SER A 76 77.334 26.225 -14.906 1.00 0.00 C ATOM 1212 C SER A 76 75.935 25.850 -15.403 1.00 0.00 C ATOM 1213 O SER A 76 75.666 25.867 -16.590 1.00 0.00 O ATOM 1214 CB SER A 76 77.411 27.720 -14.600 1.00 0.00 C ATOM 1215 OG SER A 76 78.712 28.036 -14.123 1.00 0.00 O ATOM 0 H SER A 76 78.429 26.753 -16.661 1.00 0.00 H new ATOM 0 HA SER A 76 77.530 25.618 -14.022 1.00 0.00 H new ATOM 0 HB2 SER A 76 77.190 28.298 -15.497 1.00 0.00 H new ATOM 0 HB3 SER A 76 76.663 27.989 -13.855 1.00 0.00 H new ATOM 0 HG SER A 76 78.765 28.995 -13.928 1.00 0.00 H new ATOM 1221 N THR A 77 75.046 25.509 -14.500 1.00 0.00 N ATOM 1222 CA THR A 77 73.666 25.100 -14.906 1.00 0.00 C ATOM 1223 C THR A 77 72.635 26.069 -14.321 1.00 0.00 C ATOM 1224 O THR A 77 72.953 26.892 -13.482 1.00 0.00 O ATOM 1225 CB THR A 77 73.478 23.698 -14.320 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.630 22.910 -14.594 1.00 0.00 O ATOM 1227 CG2 THR A 77 72.250 23.039 -14.948 1.00 0.00 C ATOM 0 H THR A 77 75.219 25.497 -13.495 1.00 0.00 H new ATOM 0 HA THR A 77 73.534 25.110 -15.988 1.00 0.00 H new ATOM 0 HB THR A 77 73.337 23.774 -13.242 1.00 0.00 H new ATOM 0 HG1 THR A 77 74.510 22.013 -14.217 1.00 0.00 H new ATOM 0 HG21 THR A 77 72.118 22.041 -14.529 1.00 0.00 H new ATOM 0 HG22 THR A 77 71.366 23.641 -14.737 1.00 0.00 H new ATOM 0 HG23 THR A 77 72.389 22.964 -16.027 1.00 0.00 H new ATOM 1235 N LYS A 78 71.397 25.978 -14.763 1.00 0.00 N ATOM 1236 CA LYS A 78 70.309 26.881 -14.246 1.00 0.00 C ATOM 1237 C LYS A 78 70.707 28.359 -14.394 1.00 0.00 C ATOM 1238 O LYS A 78 70.571 29.146 -13.473 1.00 0.00 O ATOM 1239 CB LYS A 78 70.123 26.510 -12.767 1.00 0.00 C ATOM 1240 CG LYS A 78 69.592 25.078 -12.660 1.00 0.00 C ATOM 1241 CD LYS A 78 69.279 24.758 -11.197 1.00 0.00 C ATOM 1242 CE LYS A 78 68.856 23.292 -11.074 1.00 0.00 C ATOM 1243 NZ LYS A 78 67.992 23.243 -9.862 1.00 0.00 N ATOM 0 H LYS A 78 71.091 25.308 -15.469 1.00 0.00 H new ATOM 0 HA LYS A 78 69.384 26.752 -14.808 1.00 0.00 H new ATOM 0 HB2 LYS A 78 71.072 26.597 -12.238 1.00 0.00 H new ATOM 0 HB3 LYS A 78 69.428 27.203 -12.292 1.00 0.00 H new ATOM 0 HG2 LYS A 78 68.694 24.965 -13.268 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.330 24.375 -13.047 1.00 0.00 H new ATOM 0 HD2 LYS A 78 70.155 24.948 -10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 78 68.484 25.409 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 78 68.313 22.962 -11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 78 69.722 22.638 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 67.662 22.269 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 68.537 23.557 -9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 67.173 23.870 -9.994 1.00 0.00 H new ATOM 1257 N LEU A 79 71.195 28.735 -15.551 1.00 0.00 N ATOM 1258 CA LEU A 79 71.578 30.162 -15.785 1.00 0.00 C ATOM 1259 C LEU A 79 70.407 30.926 -16.410 1.00 0.00 C ATOM 1260 O LEU A 79 69.756 30.439 -17.317 1.00 0.00 O ATOM 1261 CB LEU A 79 72.762 30.110 -16.758 1.00 0.00 C ATOM 1262 CG LEU A 79 73.951 29.414 -16.090 1.00 0.00 C ATOM 1263 CD1 LEU A 79 75.020 29.108 -17.142 1.00 0.00 C ATOM 1264 CD2 LEU A 79 74.542 30.332 -15.016 1.00 0.00 C ATOM 0 H LEU A 79 71.345 28.113 -16.345 1.00 0.00 H new ATOM 0 HA LEU A 79 71.838 30.673 -14.858 1.00 0.00 H new ATOM 0 HB2 LEU A 79 72.477 29.575 -17.664 1.00 0.00 H new ATOM 0 HB3 LEU A 79 73.042 31.119 -17.059 1.00 0.00 H new ATOM 0 HG LEU A 79 73.616 28.484 -15.630 1.00 0.00 H new ATOM 0 HD11 LEU A 79 75.867 28.613 -16.667 1.00 0.00 H new ATOM 0 HD12 LEU A 79 74.601 28.455 -17.908 1.00 0.00 H new ATOM 0 HD13 LEU A 79 75.355 30.038 -17.602 1.00 0.00 H new ATOM 0 HD21 LEU A 79 75.389 29.837 -14.540 1.00 0.00 H new ATOM 0 HD22 LEU A 79 74.877 31.262 -15.476 1.00 0.00 H new ATOM 0 HD23 LEU A 79 73.782 30.552 -14.266 1.00 0.00 H new ATOM 1276 N LYS A 80 70.137 32.116 -15.929 1.00 0.00 N ATOM 1277 CA LYS A 80 69.003 32.916 -16.483 1.00 0.00 C ATOM 1278 C LYS A 80 69.531 33.993 -17.436 1.00 0.00 C ATOM 1279 O LYS A 80 70.319 34.838 -17.053 1.00 0.00 O ATOM 1280 CB LYS A 80 68.338 33.556 -15.263 1.00 0.00 C ATOM 1281 CG LYS A 80 66.985 34.144 -15.669 1.00 0.00 C ATOM 1282 CD LYS A 80 66.326 34.796 -14.452 1.00 0.00 C ATOM 1283 CE LYS A 80 64.891 35.197 -14.800 1.00 0.00 C ATOM 1284 NZ LYS A 80 64.311 35.698 -13.523 1.00 0.00 N ATOM 0 H LYS A 80 70.655 32.567 -15.175 1.00 0.00 H new ATOM 0 HA LYS A 80 68.304 32.304 -17.053 1.00 0.00 H new ATOM 0 HB2 LYS A 80 68.202 32.812 -14.478 1.00 0.00 H new ATOM 0 HB3 LYS A 80 68.978 34.338 -14.855 1.00 0.00 H new ATOM 0 HG2 LYS A 80 67.120 34.881 -16.461 1.00 0.00 H new ATOM 0 HG3 LYS A 80 66.341 33.360 -16.068 1.00 0.00 H new ATOM 0 HD2 LYS A 80 66.327 34.103 -13.610 1.00 0.00 H new ATOM 0 HD3 LYS A 80 66.895 35.673 -14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 80 64.872 35.967 -15.571 1.00 0.00 H new ATOM 0 HE3 LYS A 80 64.326 34.348 -15.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 63.326 35.993 -13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 64.336 34.941 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 64.865 36.510 -13.185 1.00 0.00 H new ATOM 1298 N SER A 81 69.099 33.963 -18.675 1.00 0.00 N ATOM 1299 CA SER A 81 69.572 34.980 -19.669 1.00 0.00 C ATOM 1300 C SER A 81 69.046 36.374 -19.303 1.00 0.00 C ATOM 1301 O SER A 81 69.696 37.372 -19.553 1.00 0.00 O ATOM 1302 CB SER A 81 68.997 34.532 -21.015 1.00 0.00 C ATOM 1303 OG SER A 81 69.515 35.361 -22.047 1.00 0.00 O ATOM 0 H SER A 81 68.439 33.277 -19.041 1.00 0.00 H new ATOM 0 HA SER A 81 70.660 35.046 -19.693 1.00 0.00 H new ATOM 0 HB2 SER A 81 69.256 33.490 -21.205 1.00 0.00 H new ATOM 0 HB3 SER A 81 67.909 34.592 -20.997 1.00 0.00 H new ATOM 0 HG SER A 81 69.150 35.075 -22.910 1.00 0.00 H new ATOM 1309 N ALA A 82 67.876 36.444 -18.712 1.00 0.00 N ATOM 1310 CA ALA A 82 67.277 37.776 -18.367 1.00 0.00 C ATOM 1311 C ALA A 82 68.134 38.497 -17.321 1.00 0.00 C ATOM 1312 O ALA A 82 68.243 39.709 -17.330 1.00 0.00 O ATOM 1313 CB ALA A 82 65.891 37.463 -17.796 1.00 0.00 C ATOM 0 H ALA A 82 67.309 35.637 -18.453 1.00 0.00 H new ATOM 0 HA ALA A 82 67.221 38.431 -19.237 1.00 0.00 H new ATOM 0 HB1 ALA A 82 65.392 38.392 -17.521 1.00 0.00 H new ATOM 0 HB2 ALA A 82 65.297 36.941 -18.547 1.00 0.00 H new ATOM 0 HB3 ALA A 82 65.995 36.832 -16.913 1.00 0.00 H new ATOM 1319 N GLU A 83 68.741 37.758 -16.424 1.00 0.00 N ATOM 1320 CA GLU A 83 69.590 38.393 -15.369 1.00 0.00 C ATOM 1321 C GLU A 83 71.074 38.179 -15.682 1.00 0.00 C ATOM 1322 O GLU A 83 71.544 37.058 -15.758 1.00 0.00 O ATOM 1323 CB GLU A 83 69.208 37.681 -14.069 1.00 0.00 C ATOM 1324 CG GLU A 83 67.764 38.030 -13.692 1.00 0.00 C ATOM 1325 CD GLU A 83 67.676 39.501 -13.271 1.00 0.00 C ATOM 1326 OE1 GLU A 83 68.567 39.951 -12.569 1.00 0.00 O ATOM 1327 OE2 GLU A 83 66.720 40.151 -13.658 1.00 0.00 O ATOM 0 H GLU A 83 68.685 36.741 -16.377 1.00 0.00 H new ATOM 0 HA GLU A 83 69.431 39.470 -15.306 1.00 0.00 H new ATOM 0 HB2 GLU A 83 69.312 36.603 -14.190 1.00 0.00 H new ATOM 0 HB3 GLU A 83 69.885 37.978 -13.268 1.00 0.00 H new ATOM 0 HG2 GLU A 83 67.103 37.845 -14.539 1.00 0.00 H new ATOM 0 HG3 GLU A 83 67.426 37.389 -12.878 1.00 0.00 H new ATOM 1334 N THR A 84 71.811 39.248 -15.863 1.00 0.00 N ATOM 1335 CA THR A 84 73.276 39.121 -16.152 1.00 0.00 C ATOM 1336 C THR A 84 74.015 38.615 -14.910 1.00 0.00 C ATOM 1337 O THR A 84 74.946 37.835 -15.008 1.00 0.00 O ATOM 1338 CB THR A 84 73.744 40.533 -16.517 1.00 0.00 C ATOM 1339 OG1 THR A 84 72.890 41.069 -17.518 1.00 0.00 O ATOM 1340 CG2 THR A 84 75.179 40.479 -17.045 1.00 0.00 C ATOM 0 H THR A 84 71.461 40.205 -15.823 1.00 0.00 H new ATOM 0 HA THR A 84 73.475 38.412 -16.955 1.00 0.00 H new ATOM 0 HB THR A 84 73.710 41.167 -15.631 1.00 0.00 H new ATOM 0 HG1 THR A 84 73.187 41.973 -17.752 1.00 0.00 H new ATOM 0 HG21 THR A 84 75.509 41.485 -17.304 1.00 0.00 H new ATOM 0 HG22 THR A 84 75.834 40.068 -16.277 1.00 0.00 H new ATOM 0 HG23 THR A 84 75.217 39.845 -17.931 1.00 0.00 H new ATOM 1348 N TYR A 85 73.605 39.055 -13.745 1.00 0.00 N ATOM 1349 CA TYR A 85 74.285 38.623 -12.485 1.00 0.00 C ATOM 1350 C TYR A 85 73.289 37.920 -11.559 1.00 0.00 C ATOM 1351 O TYR A 85 72.089 38.084 -11.689 1.00 0.00 O ATOM 1352 CB TYR A 85 74.790 39.917 -11.844 1.00 0.00 C ATOM 1353 CG TYR A 85 75.792 40.662 -12.695 1.00 0.00 C ATOM 1354 CD1 TYR A 85 77.151 40.263 -12.701 1.00 0.00 C ATOM 1355 CD2 TYR A 85 75.372 41.759 -13.485 1.00 0.00 C ATOM 1356 CE1 TYR A 85 78.090 40.962 -13.499 1.00 0.00 C ATOM 1357 CE2 TYR A 85 76.311 42.458 -14.283 1.00 0.00 C ATOM 1358 CZ TYR A 85 77.670 42.059 -14.289 1.00 0.00 C ATOM 1359 OH TYR A 85 78.585 42.740 -15.067 1.00 0.00 O ATOM 0 H TYR A 85 72.824 39.698 -13.613 1.00 0.00 H new ATOM 0 HA TYR A 85 75.094 37.918 -12.674 1.00 0.00 H new ATOM 0 HB2 TYR A 85 73.940 40.569 -11.643 1.00 0.00 H new ATOM 0 HB3 TYR A 85 75.246 39.682 -10.882 1.00 0.00 H new ATOM 0 HD1 TYR A 85 77.471 39.426 -12.098 1.00 0.00 H new ATOM 0 HD2 TYR A 85 74.336 42.063 -13.479 1.00 0.00 H new ATOM 0 HE1 TYR A 85 79.126 40.658 -13.505 1.00 0.00 H new ATOM 0 HE2 TYR A 85 75.991 43.295 -14.886 1.00 0.00 H new ATOM 0 HH TYR A 85 78.132 43.464 -15.547 1.00 0.00 H new ATOM 1369 N SER A 86 73.781 37.139 -10.628 1.00 0.00 N ATOM 1370 CA SER A 86 72.873 36.417 -9.686 1.00 0.00 C ATOM 1371 C SER A 86 72.725 37.210 -8.384 1.00 0.00 C ATOM 1372 O SER A 86 73.649 37.866 -7.942 1.00 0.00 O ATOM 1373 CB SER A 86 73.557 35.076 -9.422 1.00 0.00 C ATOM 1374 OG SER A 86 72.709 34.266 -8.619 1.00 0.00 O ATOM 0 H SER A 86 74.776 36.971 -10.481 1.00 0.00 H new ATOM 0 HA SER A 86 71.871 36.288 -10.096 1.00 0.00 H new ATOM 0 HB2 SER A 86 73.773 34.573 -10.365 1.00 0.00 H new ATOM 0 HB3 SER A 86 74.511 35.234 -8.919 1.00 0.00 H new ATOM 0 HG SER A 86 73.144 33.404 -8.449 1.00 0.00 H new ATOM 1380 N SER A 87 71.566 37.152 -7.771 1.00 0.00 N ATOM 1381 CA SER A 87 71.336 37.914 -6.506 1.00 0.00 C ATOM 1382 C SER A 87 71.109 36.948 -5.338 1.00 0.00 C ATOM 1383 O SER A 87 70.745 35.803 -5.534 1.00 0.00 O ATOM 1384 CB SER A 87 70.079 38.742 -6.767 1.00 0.00 C ATOM 1385 OG SER A 87 68.968 37.871 -6.930 1.00 0.00 O ATOM 0 H SER A 87 70.767 36.607 -8.096 1.00 0.00 H new ATOM 0 HA SER A 87 72.189 38.538 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 87 69.901 39.426 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 87 70.211 39.353 -7.660 1.00 0.00 H new ATOM 0 HG SER A 87 68.160 38.400 -7.096 1.00 0.00 H new ATOM 1391 N LYS A 88 71.323 37.407 -4.129 1.00 0.00 N ATOM 1392 CA LYS A 88 71.122 36.522 -2.936 1.00 0.00 C ATOM 1393 C LYS A 88 69.631 36.231 -2.741 1.00 0.00 C ATOM 1394 O LYS A 88 68.788 37.062 -3.024 1.00 0.00 O ATOM 1395 CB LYS A 88 71.675 37.311 -1.745 1.00 0.00 C ATOM 1396 CG LYS A 88 71.737 36.403 -0.514 1.00 0.00 C ATOM 1397 CD LYS A 88 72.226 37.209 0.691 1.00 0.00 C ATOM 1398 CE LYS A 88 72.443 36.269 1.880 1.00 0.00 C ATOM 1399 NZ LYS A 88 71.081 36.022 2.428 1.00 0.00 N ATOM 0 H LYS A 88 71.628 38.356 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 88 71.624 35.561 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 88 72.669 37.693 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 88 71.041 38.174 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 88 70.752 35.983 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 88 72.408 35.565 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 88 73.156 37.723 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 88 71.496 37.977 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 88 72.917 35.339 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 88 73.093 36.722 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 71.035 36.360 3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 70.378 36.530 1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 70.876 35.003 2.403 1.00 0.00 H new ATOM 1413 N ASN A 89 69.306 35.056 -2.259 1.00 0.00 N ATOM 1414 CA ASN A 89 67.869 34.691 -2.056 1.00 0.00 C ATOM 1415 C ASN A 89 67.436 35.025 -0.625 1.00 0.00 C ATOM 1416 O ASN A 89 68.149 34.755 0.325 1.00 0.00 O ATOM 1417 CB ASN A 89 67.800 33.183 -2.300 1.00 0.00 C ATOM 1418 CG ASN A 89 68.091 32.887 -3.773 1.00 0.00 C ATOM 1419 OD1 ASN A 89 68.945 32.082 -4.086 1.00 0.00 O ATOM 1420 ND2 ASN A 89 67.410 33.509 -4.697 1.00 0.00 N ATOM 0 H ASN A 89 69.976 34.333 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 89 67.207 35.240 -2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 89 68.522 32.668 -1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 89 66.813 32.806 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 89 67.595 33.319 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 89 66.693 34.185 -4.434 1.00 0.00 H new ATOM 1427 N LYS A 90 66.271 35.609 -0.470 1.00 0.00 N ATOM 1428 CA LYS A 90 65.780 35.977 0.899 1.00 0.00 C ATOM 1429 C LYS A 90 65.549 34.718 1.743 1.00 0.00 C ATOM 1430 O LYS A 90 65.735 34.727 2.946 1.00 0.00 O ATOM 1431 CB LYS A 90 64.458 36.717 0.674 1.00 0.00 C ATOM 1432 CG LYS A 90 64.728 38.041 -0.046 1.00 0.00 C ATOM 1433 CD LYS A 90 63.462 38.901 -0.034 1.00 0.00 C ATOM 1434 CE LYS A 90 62.432 38.310 -1.000 1.00 0.00 C ATOM 1435 NZ LYS A 90 62.831 38.813 -2.343 1.00 0.00 N ATOM 0 H LYS A 90 65.637 35.847 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 90 66.503 36.591 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 90 63.781 36.101 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 90 63.967 36.904 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 90 65.545 38.572 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 90 65.041 37.851 -1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 90 63.048 38.943 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 90 63.702 39.924 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 90 62.440 37.221 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 90 61.422 38.629 -0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 62.020 39.285 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 63.614 39.490 -2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 63.138 38.015 -2.935 1.00 0.00 H new ATOM 1449 N TRP A 91 65.144 33.639 1.117 1.00 0.00 N ATOM 1450 CA TRP A 91 64.879 32.378 1.875 1.00 0.00 C ATOM 1451 C TRP A 91 66.091 31.446 1.797 1.00 0.00 C ATOM 1452 O TRP A 91 66.748 31.356 0.776 1.00 0.00 O ATOM 1453 CB TRP A 91 63.671 31.746 1.183 1.00 0.00 C ATOM 1454 CG TRP A 91 62.412 32.539 1.339 1.00 0.00 C ATOM 1455 CD1 TRP A 91 61.848 33.299 0.370 1.00 0.00 C ATOM 1456 CD2 TRP A 91 61.555 32.663 2.510 1.00 0.00 C ATOM 1457 NE1 TRP A 91 60.696 33.885 0.869 1.00 0.00 N ATOM 1458 CE2 TRP A 91 60.467 33.528 2.182 1.00 0.00 C ATOM 1459 CE3 TRP A 91 61.608 32.115 3.822 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 59.463 33.842 3.123 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 60.600 32.428 4.773 1.00 0.00 C ATOM 1462 CH2 TRP A 91 59.530 33.289 4.423 1.00 0.00 C ATOM 0 H TRP A 91 64.986 33.578 0.111 1.00 0.00 H new ATOM 0 HA TRP A 91 64.692 32.565 2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 91 63.889 31.631 0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 91 63.513 30.746 1.586 1.00 0.00 H new ATOM 0 HD1 TRP A 91 62.234 33.427 -0.630 1.00 0.00 H new ATOM 0 HE1 TRP A 91 60.091 34.505 0.331 1.00 0.00 H new ATOM 0 HE3 TRP A 91 62.419 31.457 4.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 58.650 34.499 2.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 60.649 32.008 5.767 1.00 0.00 H new ATOM 0 HH2 TRP A 91 58.766 33.523 5.149 1.00 0.00 H new ATOM 1473 N SER A 92 66.386 30.755 2.871 1.00 0.00 N ATOM 1474 CA SER A 92 67.552 29.819 2.875 1.00 0.00 C ATOM 1475 C SER A 92 67.079 28.383 2.633 1.00 0.00 C ATOM 1476 O SER A 92 65.898 28.095 2.693 1.00 0.00 O ATOM 1477 CB SER A 92 68.165 29.956 4.269 1.00 0.00 C ATOM 1478 OG SER A 92 67.257 29.437 5.233 1.00 0.00 O ATOM 0 H SER A 92 65.867 30.800 3.748 1.00 0.00 H new ATOM 0 HA SER A 92 68.271 30.051 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 92 69.112 29.418 4.317 1.00 0.00 H new ATOM 0 HB3 SER A 92 68.382 31.003 4.483 1.00 0.00 H new ATOM 0 HG SER A 92 67.647 29.521 6.128 1.00 0.00 H new ATOM 1484 N MET A 93 67.995 27.485 2.363 1.00 0.00 N ATOM 1485 CA MET A 93 67.608 26.061 2.109 1.00 0.00 C ATOM 1486 C MET A 93 67.469 25.308 3.435 1.00 0.00 C ATOM 1487 O MET A 93 68.308 25.419 4.309 1.00 0.00 O ATOM 1488 CB MET A 93 68.749 25.472 1.275 1.00 0.00 C ATOM 1489 CG MET A 93 68.777 26.142 -0.101 1.00 0.00 C ATOM 1490 SD MET A 93 70.007 25.323 -1.145 1.00 0.00 S ATOM 1491 CE MET A 93 69.088 23.788 -1.416 1.00 0.00 C ATOM 0 H MET A 93 68.995 27.677 2.307 1.00 0.00 H new ATOM 0 HA MET A 93 66.650 25.983 1.594 1.00 0.00 H new ATOM 0 HB2 MET A 93 69.701 25.623 1.784 1.00 0.00 H new ATOM 0 HB3 MET A 93 68.614 24.396 1.164 1.00 0.00 H new ATOM 0 HG2 MET A 93 67.793 26.084 -0.566 1.00 0.00 H new ATOM 0 HG3 MET A 93 69.018 27.200 0.002 1.00 0.00 H new ATOM 0 HE1 MET A 93 69.124 23.524 -2.473 1.00 0.00 H new ATOM 0 HE2 MET A 93 69.535 22.987 -0.827 1.00 0.00 H new ATOM 0 HE3 MET A 93 68.051 23.926 -1.112 1.00 0.00 H new ATOM 1501 N ASP A 94 66.414 24.543 3.585 1.00 0.00 N ATOM 1502 CA ASP A 94 66.204 23.783 4.857 1.00 0.00 C ATOM 1503 C ASP A 94 66.879 22.412 4.770 1.00 0.00 C ATOM 1504 O ASP A 94 66.734 21.703 3.791 1.00 0.00 O ATOM 1505 CB ASP A 94 64.686 23.629 4.985 1.00 0.00 C ATOM 1506 CG ASP A 94 64.337 23.121 6.386 1.00 0.00 C ATOM 1507 OD1 ASP A 94 65.005 22.210 6.850 1.00 0.00 O ATOM 1508 OD2 ASP A 94 63.409 23.652 6.972 1.00 0.00 O ATOM 0 H ASP A 94 65.689 24.412 2.880 1.00 0.00 H new ATOM 0 HA ASP A 94 66.633 24.294 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 94 64.197 24.586 4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 94 64.316 22.933 4.232 1.00 0.00 H new ATOM 1513 N CYS A 95 67.615 22.037 5.789 1.00 0.00 N ATOM 1514 CA CYS A 95 68.302 20.709 5.781 1.00 0.00 C ATOM 1515 C CYS A 95 67.385 19.636 6.373 1.00 0.00 C ATOM 1516 O CYS A 95 67.324 18.523 5.882 1.00 0.00 O ATOM 1517 CB CYS A 95 69.545 20.893 6.653 1.00 0.00 C ATOM 1518 SG CYS A 95 70.718 21.986 5.812 1.00 0.00 S ATOM 0 H CYS A 95 67.769 22.596 6.628 1.00 0.00 H new ATOM 0 HA CYS A 95 68.560 20.387 4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 95 69.266 21.316 7.618 1.00 0.00 H new ATOM 0 HB3 CYS A 95 70.010 19.927 6.851 1.00 0.00 H new ATOM 0 HG CYS A 95 71.773 22.144 6.555 1.00 0.00 H new ATOM 1524 N ASP A 96 66.675 19.965 7.425 1.00 0.00 N ATOM 1525 CA ASP A 96 65.758 18.971 8.062 1.00 0.00 C ATOM 1526 C ASP A 96 64.501 19.673 8.585 1.00 0.00 C ATOM 1527 O ASP A 96 64.550 20.811 9.015 1.00 0.00 O ATOM 1528 CB ASP A 96 66.561 18.376 9.219 1.00 0.00 C ATOM 1529 CG ASP A 96 65.808 17.180 9.804 1.00 0.00 C ATOM 1530 OD1 ASP A 96 65.108 17.368 10.785 1.00 0.00 O ATOM 1531 OD2 ASP A 96 65.943 16.096 9.262 1.00 0.00 O ATOM 0 H ASP A 96 66.692 20.882 7.871 1.00 0.00 H new ATOM 0 HA ASP A 96 65.426 18.205 7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 96 67.545 18.064 8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 96 66.721 19.130 9.990 1.00 0.00 H new ATOM 1536 N GLU A 97 63.376 18.999 8.549 1.00 0.00 N ATOM 1537 CA GLU A 97 62.106 19.612 9.048 1.00 0.00 C ATOM 1538 C GLU A 97 61.637 18.894 10.317 1.00 0.00 C ATOM 1539 O GLU A 97 61.957 17.742 10.540 1.00 0.00 O ATOM 1540 CB GLU A 97 61.095 19.412 7.915 1.00 0.00 C ATOM 1541 CG GLU A 97 61.515 20.242 6.699 1.00 0.00 C ATOM 1542 CD GLU A 97 60.460 20.105 5.599 1.00 0.00 C ATOM 1543 OE1 GLU A 97 59.699 21.041 5.416 1.00 0.00 O ATOM 1544 OE2 GLU A 97 60.431 19.067 4.959 1.00 0.00 O ATOM 0 H GLU A 97 63.284 18.047 8.194 1.00 0.00 H new ATOM 0 HA GLU A 97 62.228 20.665 9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 97 61.039 18.357 7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 97 60.100 19.710 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 97 61.628 21.289 6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 97 62.484 19.905 6.332 1.00 0.00 H new ATOM 1551 N GLU A 98 60.882 19.573 11.147 1.00 0.00 N ATOM 1552 CA GLU A 98 60.384 18.943 12.408 1.00 0.00 C ATOM 1553 C GLU A 98 58.903 18.581 12.269 1.00 0.00 C ATOM 1554 O GLU A 98 58.165 19.225 11.545 1.00 0.00 O ATOM 1555 CB GLU A 98 60.576 20.010 13.489 1.00 0.00 C ATOM 1556 CG GLU A 98 62.072 20.267 13.706 1.00 0.00 C ATOM 1557 CD GLU A 98 62.719 19.045 14.366 1.00 0.00 C ATOM 1558 OE1 GLU A 98 63.817 18.692 13.966 1.00 0.00 O ATOM 1559 OE2 GLU A 98 62.108 18.484 15.262 1.00 0.00 O ATOM 0 H GLU A 98 60.589 20.539 11.004 1.00 0.00 H new ATOM 0 HA GLU A 98 60.916 18.022 12.646 1.00 0.00 H new ATOM 0 HB2 GLU A 98 60.078 20.934 13.194 1.00 0.00 H new ATOM 0 HB3 GLU A 98 60.115 19.683 14.421 1.00 0.00 H new ATOM 0 HG2 GLU A 98 62.556 20.476 12.752 1.00 0.00 H new ATOM 0 HG3 GLU A 98 62.212 21.147 14.334 1.00 0.00 H new ATOM 1566 N PHE A 99 58.467 17.554 12.958 1.00 0.00 N ATOM 1567 CA PHE A 99 57.035 17.137 12.872 1.00 0.00 C ATOM 1568 C PHE A 99 56.559 16.583 14.219 1.00 0.00 C ATOM 1569 O PHE A 99 55.669 17.132 14.843 1.00 0.00 O ATOM 1570 CB PHE A 99 57.005 16.043 11.805 1.00 0.00 C ATOM 1571 CG PHE A 99 57.378 16.535 10.426 1.00 0.00 C ATOM 1572 CD1 PHE A 99 58.701 16.369 9.950 1.00 0.00 C ATOM 1573 CD2 PHE A 99 56.405 17.162 9.611 1.00 0.00 C ATOM 1574 CE1 PHE A 99 59.051 16.830 8.657 1.00 0.00 C ATOM 1575 CE2 PHE A 99 56.755 17.623 8.318 1.00 0.00 C ATOM 1576 CZ PHE A 99 58.078 17.457 7.842 1.00 0.00 C ATOM 0 H PHE A 99 59.044 16.986 13.578 1.00 0.00 H new ATOM 0 HA PHE A 99 56.379 17.971 12.623 1.00 0.00 H new ATOM 0 HB2 PHE A 99 57.689 15.245 12.095 1.00 0.00 H new ATOM 0 HB3 PHE A 99 56.006 15.609 11.769 1.00 0.00 H new ATOM 0 HD1 PHE A 99 59.443 15.891 10.572 1.00 0.00 H new ATOM 0 HD2 PHE A 99 55.396 17.289 9.975 1.00 0.00 H new ATOM 0 HE1 PHE A 99 60.060 16.703 8.293 1.00 0.00 H new ATOM 0 HE2 PHE A 99 56.013 18.101 7.696 1.00 0.00 H new ATOM 0 HZ PHE A 99 58.345 17.809 6.857 1.00 0.00 H new ATOM 1586 N ASP A 100 57.150 15.501 14.668 1.00 0.00 N ATOM 1587 CA ASP A 100 56.717 14.880 15.965 1.00 0.00 C ATOM 1588 C ASP A 100 57.005 15.828 17.135 1.00 0.00 C ATOM 1589 O ASP A 100 56.219 15.939 18.057 1.00 0.00 O ATOM 1590 CB ASP A 100 57.545 13.597 16.101 1.00 0.00 C ATOM 1591 CG ASP A 100 57.158 12.612 14.995 1.00 0.00 C ATOM 1592 OD1 ASP A 100 55.974 12.491 14.720 1.00 0.00 O ATOM 1593 OD2 ASP A 100 58.052 11.993 14.442 1.00 0.00 O ATOM 0 H ASP A 100 57.914 15.020 14.194 1.00 0.00 H new ATOM 0 HA ASP A 100 55.647 14.675 15.977 1.00 0.00 H new ATOM 0 HB2 ASP A 100 58.608 13.830 16.037 1.00 0.00 H new ATOM 0 HB3 ASP A 100 57.376 13.146 17.079 1.00 0.00 H new ATOM 1598 N PHE A 101 58.127 16.507 17.099 1.00 0.00 N ATOM 1599 CA PHE A 101 58.483 17.442 18.210 1.00 0.00 C ATOM 1600 C PHE A 101 58.625 18.871 17.678 1.00 0.00 C ATOM 1601 O PHE A 101 59.095 19.086 16.575 1.00 0.00 O ATOM 1602 CB PHE A 101 59.823 16.933 18.740 1.00 0.00 C ATOM 1603 CG PHE A 101 59.751 15.541 19.324 1.00 0.00 C ATOM 1604 CD1 PHE A 101 59.335 15.357 20.665 1.00 0.00 C ATOM 1605 CD2 PHE A 101 60.099 14.421 18.531 1.00 0.00 C ATOM 1606 CE1 PHE A 101 59.267 14.053 21.213 1.00 0.00 C ATOM 1607 CE2 PHE A 101 60.031 13.116 19.078 1.00 0.00 C ATOM 1608 CZ PHE A 101 59.615 12.932 20.419 1.00 0.00 C ATOM 0 H PHE A 101 58.812 16.453 16.345 1.00 0.00 H new ATOM 0 HA PHE A 101 57.719 17.468 18.987 1.00 0.00 H new ATOM 0 HB2 PHE A 101 60.552 16.941 17.930 1.00 0.00 H new ATOM 0 HB3 PHE A 101 60.187 17.620 19.503 1.00 0.00 H new ATOM 0 HD1 PHE A 101 59.070 16.211 21.270 1.00 0.00 H new ATOM 0 HD2 PHE A 101 60.417 14.562 17.508 1.00 0.00 H new ATOM 0 HE1 PHE A 101 58.950 13.913 22.236 1.00 0.00 H new ATOM 0 HE2 PHE A 101 60.296 12.262 18.473 1.00 0.00 H new ATOM 0 HZ PHE A 101 59.563 11.937 20.837 1.00 0.00 H new ATOM 1618 N ALA A 102 58.222 19.845 18.457 1.00 0.00 N ATOM 1619 CA ALA A 102 58.358 21.269 18.025 1.00 0.00 C ATOM 1620 C ALA A 102 59.511 21.941 18.777 1.00 0.00 C ATOM 1621 O ALA A 102 60.202 22.787 18.239 1.00 0.00 O ATOM 1622 CB ALA A 102 57.025 21.922 18.391 1.00 0.00 C ATOM 0 H ALA A 102 57.803 19.713 19.378 1.00 0.00 H new ATOM 0 HA ALA A 102 58.577 21.360 16.961 1.00 0.00 H new ATOM 0 HB1 ALA A 102 57.044 22.974 18.105 1.00 0.00 H new ATOM 0 HB2 ALA A 102 56.216 21.417 17.864 1.00 0.00 H new ATOM 0 HB3 ALA A 102 56.863 21.841 19.466 1.00 0.00 H new ATOM 1628 N ALA A 103 59.717 21.568 20.017 1.00 0.00 N ATOM 1629 CA ALA A 103 60.825 22.171 20.818 1.00 0.00 C ATOM 1630 C ALA A 103 61.469 21.106 21.712 1.00 0.00 C ATOM 1631 O ALA A 103 60.867 20.091 22.008 1.00 0.00 O ATOM 1632 CB ALA A 103 60.156 23.252 21.668 1.00 0.00 C ATOM 0 H ALA A 103 59.162 20.868 20.510 1.00 0.00 H new ATOM 0 HA ALA A 103 61.616 22.579 20.189 1.00 0.00 H new ATOM 0 HB1 ALA A 103 60.906 23.744 22.287 1.00 0.00 H new ATOM 0 HB2 ALA A 103 59.685 23.988 21.016 1.00 0.00 H new ATOM 0 HB3 ALA A 103 59.400 22.796 22.307 1.00 0.00 H new ATOM 1638 N ASN A 104 62.687 21.334 22.140 1.00 0.00 N ATOM 1639 CA ASN A 104 63.386 20.335 23.003 1.00 0.00 C ATOM 1640 C ASN A 104 63.220 20.703 24.481 1.00 0.00 C ATOM 1641 O ASN A 104 63.818 21.647 24.964 1.00 0.00 O ATOM 1642 CB ASN A 104 64.857 20.412 22.592 1.00 0.00 C ATOM 1643 CG ASN A 104 65.594 19.167 23.089 1.00 0.00 C ATOM 1644 OD1 ASN A 104 66.269 19.209 24.097 1.00 0.00 O ATOM 1645 ND2 ASN A 104 65.492 18.053 22.418 1.00 0.00 N ATOM 0 H ASN A 104 63.228 22.172 21.927 1.00 0.00 H new ATOM 0 HA ASN A 104 62.982 19.330 22.879 1.00 0.00 H new ATOM 0 HB2 ASN A 104 64.939 20.487 21.508 1.00 0.00 H new ATOM 0 HB3 ASN A 104 65.315 21.309 23.009 1.00 0.00 H new ATOM 0 HD21 ASN A 104 65.979 17.217 22.740 1.00 0.00 H new ATOM 0 HD22 ASN A 104 64.925 18.018 21.571 1.00 0.00 H new ATOM 1652 N LEU A 105 62.409 19.961 25.197 1.00 0.00 N ATOM 1653 CA LEU A 105 62.173 20.272 26.646 1.00 0.00 C ATOM 1654 C LEU A 105 63.445 20.018 27.461 1.00 0.00 C ATOM 1655 O LEU A 105 63.715 20.704 28.431 1.00 0.00 O ATOM 1656 CB LEU A 105 61.055 19.324 27.093 1.00 0.00 C ATOM 1657 CG LEU A 105 59.763 19.653 26.341 1.00 0.00 C ATOM 1658 CD1 LEU A 105 58.734 18.549 26.587 1.00 0.00 C ATOM 1659 CD2 LEU A 105 59.205 20.988 26.844 1.00 0.00 C ATOM 0 H LEU A 105 61.899 19.152 24.841 1.00 0.00 H new ATOM 0 HA LEU A 105 61.901 21.317 26.795 1.00 0.00 H new ATOM 0 HB2 LEU A 105 61.344 18.291 26.902 1.00 0.00 H new ATOM 0 HB3 LEU A 105 60.895 19.417 28.167 1.00 0.00 H new ATOM 0 HG LEU A 105 59.973 19.724 25.274 1.00 0.00 H new ATOM 0 HD11 LEU A 105 57.814 18.783 26.052 1.00 0.00 H new ATOM 0 HD12 LEU A 105 59.129 17.598 26.231 1.00 0.00 H new ATOM 0 HD13 LEU A 105 58.525 18.478 27.654 1.00 0.00 H new ATOM 0 HD21 LEU A 105 58.285 21.223 26.309 1.00 0.00 H new ATOM 0 HD22 LEU A 105 58.996 20.916 27.911 1.00 0.00 H new ATOM 0 HD23 LEU A 105 59.937 21.777 26.670 1.00 0.00 H new ATOM 1671 N GLU A 106 64.226 19.039 27.073 1.00 0.00 N ATOM 1672 CA GLU A 106 65.458 18.696 27.851 1.00 0.00 C ATOM 1673 C GLU A 106 66.678 19.406 27.255 1.00 0.00 C ATOM 1674 O GLU A 106 66.547 20.259 26.401 1.00 0.00 O ATOM 1675 CB GLU A 106 65.604 17.177 27.721 1.00 0.00 C ATOM 1676 CG GLU A 106 64.441 16.481 28.437 1.00 0.00 C ATOM 1677 CD GLU A 106 64.571 16.677 29.951 1.00 0.00 C ATOM 1678 OE1 GLU A 106 65.679 16.566 30.451 1.00 0.00 O ATOM 1679 OE2 GLU A 106 63.561 16.936 30.584 1.00 0.00 O ATOM 0 H GLU A 106 64.063 18.461 26.249 1.00 0.00 H new ATOM 0 HA GLU A 106 65.386 19.010 28.892 1.00 0.00 H new ATOM 0 HB2 GLU A 106 65.618 16.892 26.669 1.00 0.00 H new ATOM 0 HB3 GLU A 106 66.553 16.855 28.151 1.00 0.00 H new ATOM 0 HG2 GLU A 106 63.492 16.888 28.089 1.00 0.00 H new ATOM 0 HG3 GLU A 106 64.439 15.418 28.198 1.00 0.00 H new ATOM 1686 N LYS A 107 67.862 19.049 27.710 1.00 0.00 N ATOM 1687 CA LYS A 107 69.132 19.686 27.209 1.00 0.00 C ATOM 1688 C LYS A 107 69.111 21.213 27.410 1.00 0.00 C ATOM 1689 O LYS A 107 69.664 21.716 28.372 1.00 0.00 O ATOM 1690 CB LYS A 107 69.238 19.313 25.720 1.00 0.00 C ATOM 1691 CG LYS A 107 69.430 17.800 25.586 1.00 0.00 C ATOM 1692 CD LYS A 107 69.860 17.461 24.157 1.00 0.00 C ATOM 1693 CE LYS A 107 68.681 17.665 23.203 1.00 0.00 C ATOM 1694 NZ LYS A 107 69.223 17.356 21.850 1.00 0.00 N ATOM 0 H LYS A 107 68.005 18.331 28.420 1.00 0.00 H new ATOM 0 HA LYS A 107 69.999 19.327 27.764 1.00 0.00 H new ATOM 0 HB2 LYS A 107 68.337 19.624 25.191 1.00 0.00 H new ATOM 0 HB3 LYS A 107 70.075 19.839 25.261 1.00 0.00 H new ATOM 0 HG2 LYS A 107 70.183 17.455 26.295 1.00 0.00 H new ATOM 0 HG3 LYS A 107 68.502 17.283 25.830 1.00 0.00 H new ATOM 0 HD2 LYS A 107 70.696 18.094 23.858 1.00 0.00 H new ATOM 0 HD3 LYS A 107 70.207 16.429 24.106 1.00 0.00 H new ATOM 0 HE2 LYS A 107 67.850 17.006 23.455 1.00 0.00 H new ATOM 0 HE3 LYS A 107 68.304 18.687 23.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 68.472 17.474 21.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 70.008 18.003 21.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 69.568 16.375 21.830 1.00 0.00 H new ATOM 1708 N PHE A 108 68.486 21.953 26.521 1.00 0.00 N ATOM 1709 CA PHE A 108 68.485 23.442 26.642 1.00 0.00 C ATOM 1710 C PHE A 108 67.175 23.925 27.271 1.00 0.00 C ATOM 1711 O PHE A 108 66.098 23.598 26.809 1.00 0.00 O ATOM 1712 CB PHE A 108 68.612 23.955 25.208 1.00 0.00 C ATOM 1713 CG PHE A 108 69.914 23.570 24.543 1.00 0.00 C ATOM 1714 CD1 PHE A 108 71.069 24.366 24.734 1.00 0.00 C ATOM 1715 CD2 PHE A 108 69.977 22.412 23.730 1.00 0.00 C ATOM 1716 CE1 PHE A 108 72.288 24.005 24.111 1.00 0.00 C ATOM 1717 CE2 PHE A 108 71.197 22.051 23.107 1.00 0.00 C ATOM 1718 CZ PHE A 108 72.353 22.847 23.297 1.00 0.00 C ATOM 0 H PHE A 108 67.977 21.586 25.717 1.00 0.00 H new ATOM 0 HA PHE A 108 69.292 23.804 27.279 1.00 0.00 H new ATOM 0 HB2 PHE A 108 67.783 23.567 24.617 1.00 0.00 H new ATOM 0 HB3 PHE A 108 68.521 25.041 25.210 1.00 0.00 H new ATOM 0 HD1 PHE A 108 71.020 25.248 25.355 1.00 0.00 H new ATOM 0 HD2 PHE A 108 69.096 21.805 23.585 1.00 0.00 H new ATOM 0 HE1 PHE A 108 73.169 24.613 24.256 1.00 0.00 H new ATOM 0 HE2 PHE A 108 71.246 21.168 22.487 1.00 0.00 H new ATOM 0 HZ PHE A 108 73.283 22.572 22.822 1.00 0.00 H new ATOM 1728 N ASP A 109 67.265 24.708 28.327 1.00 0.00 N ATOM 1729 CA ASP A 109 66.037 25.247 29.012 1.00 0.00 C ATOM 1730 C ASP A 109 65.059 24.119 29.371 1.00 0.00 C ATOM 1731 O ASP A 109 65.331 22.953 29.144 1.00 0.00 O ATOM 1732 CB ASP A 109 65.396 26.216 28.012 1.00 0.00 C ATOM 1733 CG ASP A 109 66.327 27.409 27.777 1.00 0.00 C ATOM 1734 OD1 ASP A 109 66.457 27.817 26.634 1.00 0.00 O ATOM 1735 OD2 ASP A 109 66.892 27.895 28.743 1.00 0.00 O ATOM 0 H ASP A 109 68.147 25.000 28.748 1.00 0.00 H new ATOM 0 HA ASP A 109 66.294 25.741 29.949 1.00 0.00 H new ATOM 0 HB2 ASP A 109 65.201 25.704 27.070 1.00 0.00 H new ATOM 0 HB3 ASP A 109 64.435 26.562 28.392 1.00 0.00 H new ATOM 1740 N LYS A 110 63.924 24.465 29.929 1.00 0.00 N ATOM 1741 CA LYS A 110 62.903 23.429 30.287 1.00 0.00 C ATOM 1742 C LYS A 110 61.533 24.085 30.501 1.00 0.00 C ATOM 1743 O LYS A 110 61.410 25.059 31.223 1.00 0.00 O ATOM 1744 CB LYS A 110 63.416 22.777 31.582 1.00 0.00 C ATOM 1745 CG LYS A 110 63.560 23.825 32.695 1.00 0.00 C ATOM 1746 CD LYS A 110 64.245 23.192 33.908 1.00 0.00 C ATOM 1747 CE LYS A 110 64.143 24.138 35.106 1.00 0.00 C ATOM 1748 NZ LYS A 110 62.804 23.864 35.699 1.00 0.00 N ATOM 0 H LYS A 110 63.659 25.424 30.153 1.00 0.00 H new ATOM 0 HA LYS A 110 62.773 22.689 29.497 1.00 0.00 H new ATOM 0 HB2 LYS A 110 62.727 21.994 31.899 1.00 0.00 H new ATOM 0 HB3 LYS A 110 64.378 22.299 31.398 1.00 0.00 H new ATOM 0 HG2 LYS A 110 64.143 24.673 32.337 1.00 0.00 H new ATOM 0 HG3 LYS A 110 62.579 24.208 32.977 1.00 0.00 H new ATOM 0 HD2 LYS A 110 63.777 22.237 34.145 1.00 0.00 H new ATOM 0 HD3 LYS A 110 65.291 22.987 33.682 1.00 0.00 H new ATOM 0 HE2 LYS A 110 64.940 23.951 35.826 1.00 0.00 H new ATOM 0 HE3 LYS A 110 64.232 25.179 34.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 62.395 24.751 36.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 62.178 23.462 34.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 62.903 23.187 36.483 1.00 0.00 H new ATOM 1762 N LYS A 111 60.508 23.558 29.879 1.00 0.00 N ATOM 1763 CA LYS A 111 59.141 24.140 30.039 1.00 0.00 C ATOM 1764 C LYS A 111 58.352 23.358 31.094 1.00 0.00 C ATOM 1765 O LYS A 111 57.731 23.934 31.968 1.00 0.00 O ATOM 1766 CB LYS A 111 58.484 23.999 28.665 1.00 0.00 C ATOM 1767 CG LYS A 111 59.184 24.925 27.668 1.00 0.00 C ATOM 1768 CD LYS A 111 58.462 24.864 26.321 1.00 0.00 C ATOM 1769 CE LYS A 111 59.225 25.703 25.293 1.00 0.00 C ATOM 1770 NZ LYS A 111 60.334 24.825 24.827 1.00 0.00 N ATOM 0 H LYS A 111 60.560 22.746 29.264 1.00 0.00 H new ATOM 0 HA LYS A 111 59.172 25.178 30.370 1.00 0.00 H new ATOM 0 HB2 LYS A 111 58.547 22.966 28.324 1.00 0.00 H new ATOM 0 HB3 LYS A 111 57.425 24.249 28.729 1.00 0.00 H new ATOM 0 HG2 LYS A 111 59.186 25.948 28.045 1.00 0.00 H new ATOM 0 HG3 LYS A 111 60.226 24.627 27.548 1.00 0.00 H new ATOM 0 HD2 LYS A 111 58.390 23.831 25.981 1.00 0.00 H new ATOM 0 HD3 LYS A 111 57.443 25.236 26.426 1.00 0.00 H new ATOM 0 HE2 LYS A 111 58.579 25.996 24.465 1.00 0.00 H new ATOM 0 HE3 LYS A 111 59.609 26.621 25.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 60.699 25.179 23.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 61.098 24.827 25.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 59.980 23.855 24.703 1.00 0.00 H new ATOM 1784 N GLN A 112 58.376 22.043 31.016 1.00 0.00 N ATOM 1785 CA GLN A 112 57.631 21.186 32.003 1.00 0.00 C ATOM 1786 C GLN A 112 56.157 21.615 32.103 1.00 0.00 C ATOM 1787 O GLN A 112 55.734 22.207 33.081 1.00 0.00 O ATOM 1788 CB GLN A 112 58.353 21.386 33.344 1.00 0.00 C ATOM 1789 CG GLN A 112 57.827 20.374 34.364 1.00 0.00 C ATOM 1790 CD GLN A 112 58.429 20.674 35.738 1.00 0.00 C ATOM 1791 OE1 GLN A 112 58.283 21.764 36.254 1.00 0.00 O ATOM 1792 NE2 GLN A 112 59.104 19.744 36.357 1.00 0.00 N ATOM 0 H GLN A 112 58.886 21.522 30.303 1.00 0.00 H new ATOM 0 HA GLN A 112 57.623 20.139 31.701 1.00 0.00 H new ATOM 0 HB2 GLN A 112 59.428 21.260 33.213 1.00 0.00 H new ATOM 0 HB3 GLN A 112 58.193 22.401 33.707 1.00 0.00 H new ATOM 0 HG2 GLN A 112 56.739 20.423 34.413 1.00 0.00 H new ATOM 0 HG3 GLN A 112 58.087 19.362 34.055 1.00 0.00 H new ATOM 0 HE21 GLN A 112 59.227 18.829 35.924 1.00 0.00 H new ATOM 0 HE22 GLN A 112 59.509 19.932 37.274 1.00 0.00 H new ATOM 1801 N VAL A 113 55.376 21.317 31.092 1.00 0.00 N ATOM 1802 CA VAL A 113 53.927 21.692 31.112 1.00 0.00 C ATOM 1803 C VAL A 113 53.064 20.426 31.053 1.00 0.00 C ATOM 1804 O VAL A 113 53.269 19.567 30.215 1.00 0.00 O ATOM 1805 CB VAL A 113 53.710 22.562 29.862 1.00 0.00 C ATOM 1806 CG1 VAL A 113 52.260 23.055 29.816 1.00 0.00 C ATOM 1807 CG2 VAL A 113 54.645 23.776 29.903 1.00 0.00 C ATOM 0 H VAL A 113 55.682 20.828 30.251 1.00 0.00 H new ATOM 0 HA VAL A 113 53.650 22.228 32.020 1.00 0.00 H new ATOM 0 HB VAL A 113 53.924 21.963 28.977 1.00 0.00 H new ATOM 0 HG11 VAL A 113 52.113 23.670 28.929 1.00 0.00 H new ATOM 0 HG12 VAL A 113 51.586 22.199 29.780 1.00 0.00 H new ATOM 0 HG13 VAL A 113 52.048 23.646 30.707 1.00 0.00 H new ATOM 0 HG21 VAL A 113 54.486 24.388 29.015 1.00 0.00 H new ATOM 0 HG22 VAL A 113 54.434 24.368 30.794 1.00 0.00 H new ATOM 0 HG23 VAL A 113 55.681 23.437 29.929 1.00 0.00 H new ATOM 1817 N PHE A 114 52.104 20.310 31.938 1.00 0.00 N ATOM 1818 CA PHE A 114 51.223 19.097 31.949 1.00 0.00 C ATOM 1819 C PHE A 114 50.326 19.082 30.708 1.00 0.00 C ATOM 1820 O PHE A 114 50.138 18.054 30.083 1.00 0.00 O ATOM 1821 CB PHE A 114 50.377 19.218 33.218 1.00 0.00 C ATOM 1822 CG PHE A 114 49.515 18.005 33.484 1.00 0.00 C ATOM 1823 CD1 PHE A 114 48.172 17.979 33.036 1.00 0.00 C ATOM 1824 CD2 PHE A 114 50.051 16.895 34.181 1.00 0.00 C ATOM 1825 CE1 PHE A 114 47.364 16.843 33.286 1.00 0.00 C ATOM 1826 CE2 PHE A 114 49.244 15.758 34.430 1.00 0.00 C ATOM 1827 CZ PHE A 114 47.900 15.733 33.983 1.00 0.00 C ATOM 0 H PHE A 114 51.891 21.003 32.655 1.00 0.00 H new ATOM 0 HA PHE A 114 51.802 18.174 31.937 1.00 0.00 H new ATOM 0 HB2 PHE A 114 51.036 19.380 34.071 1.00 0.00 H new ATOM 0 HB3 PHE A 114 49.738 20.098 33.137 1.00 0.00 H new ATOM 0 HD1 PHE A 114 47.764 18.825 32.504 1.00 0.00 H new ATOM 0 HD2 PHE A 114 51.075 16.915 34.523 1.00 0.00 H new ATOM 0 HE1 PHE A 114 46.339 16.823 32.945 1.00 0.00 H new ATOM 0 HE2 PHE A 114 49.653 14.911 34.960 1.00 0.00 H new ATOM 0 HZ PHE A 114 47.284 14.867 34.174 1.00 0.00 H new ATOM 1837 N ALA A 115 49.772 20.216 30.350 1.00 0.00 N ATOM 1838 CA ALA A 115 48.853 20.273 29.172 1.00 0.00 C ATOM 1839 C ALA A 115 49.584 20.847 27.955 1.00 0.00 C ATOM 1840 O ALA A 115 50.527 21.605 28.088 1.00 0.00 O ATOM 1841 CB ALA A 115 47.717 21.203 29.604 1.00 0.00 C ATOM 0 H ALA A 115 49.918 21.107 30.825 1.00 0.00 H new ATOM 0 HA ALA A 115 48.488 19.287 28.884 1.00 0.00 H new ATOM 0 HB1 ALA A 115 46.996 21.299 28.792 1.00 0.00 H new ATOM 0 HB2 ALA A 115 47.222 20.789 30.482 1.00 0.00 H new ATOM 0 HB3 ALA A 115 48.123 22.185 29.846 1.00 0.00 H new ATOM 1847 N GLU A 116 49.151 20.487 26.771 1.00 0.00 N ATOM 1848 CA GLU A 116 49.812 21.002 25.532 1.00 0.00 C ATOM 1849 C GLU A 116 49.038 22.202 24.979 1.00 0.00 C ATOM 1850 O GLU A 116 47.837 22.306 25.150 1.00 0.00 O ATOM 1851 CB GLU A 116 49.770 19.835 24.543 1.00 0.00 C ATOM 1852 CG GLU A 116 50.662 18.698 25.050 1.00 0.00 C ATOM 1853 CD GLU A 116 50.700 17.566 24.018 1.00 0.00 C ATOM 1854 OE1 GLU A 116 49.679 17.317 23.396 1.00 0.00 O ATOM 1855 OE2 GLU A 116 51.752 16.967 23.867 1.00 0.00 O ATOM 0 H GLU A 116 48.366 19.857 26.610 1.00 0.00 H new ATOM 0 HA GLU A 116 50.831 21.340 25.719 1.00 0.00 H new ATOM 0 HB2 GLU A 116 48.746 19.482 24.425 1.00 0.00 H new ATOM 0 HB3 GLU A 116 50.108 20.165 23.561 1.00 0.00 H new ATOM 0 HG2 GLU A 116 51.670 19.069 25.233 1.00 0.00 H new ATOM 0 HG3 GLU A 116 50.283 18.323 26.001 1.00 0.00 H new ATOM 1862 N PHE A 117 49.722 23.106 24.318 1.00 0.00 N ATOM 1863 CA PHE A 117 49.035 24.312 23.750 1.00 0.00 C ATOM 1864 C PHE A 117 48.076 23.903 22.627 1.00 0.00 C ATOM 1865 O PHE A 117 47.045 24.520 22.430 1.00 0.00 O ATOM 1866 CB PHE A 117 50.155 25.198 23.199 1.00 0.00 C ATOM 1867 CG PHE A 117 51.055 25.769 24.271 1.00 0.00 C ATOM 1868 CD1 PHE A 117 50.680 26.951 24.954 1.00 0.00 C ATOM 1869 CD2 PHE A 117 52.273 25.121 24.591 1.00 0.00 C ATOM 1870 CE1 PHE A 117 51.522 27.486 25.958 1.00 0.00 C ATOM 1871 CE2 PHE A 117 53.116 25.657 25.596 1.00 0.00 C ATOM 1872 CZ PHE A 117 52.741 26.840 26.279 1.00 0.00 C ATOM 0 H PHE A 117 50.727 23.061 24.147 1.00 0.00 H new ATOM 0 HA PHE A 117 48.441 24.831 24.502 1.00 0.00 H new ATOM 0 HB2 PHE A 117 50.758 24.616 22.502 1.00 0.00 H new ATOM 0 HB3 PHE A 117 49.713 26.018 22.632 1.00 0.00 H new ATOM 0 HD1 PHE A 117 49.751 27.445 24.709 1.00 0.00 H new ATOM 0 HD2 PHE A 117 52.559 24.219 24.070 1.00 0.00 H new ATOM 0 HE1 PHE A 117 51.235 28.387 26.480 1.00 0.00 H new ATOM 0 HE2 PHE A 117 54.045 25.163 25.841 1.00 0.00 H new ATOM 0 HZ PHE A 117 53.384 27.249 27.044 1.00 0.00 H new ATOM 1882 N ARG A 118 48.411 22.869 21.894 1.00 0.00 N ATOM 1883 CA ARG A 118 47.532 22.420 20.771 1.00 0.00 C ATOM 1884 C ARG A 118 46.708 21.202 21.197 1.00 0.00 C ATOM 1885 O ARG A 118 47.147 20.396 21.998 1.00 0.00 O ATOM 1886 CB ARG A 118 48.493 22.048 19.639 1.00 0.00 C ATOM 1887 CG ARG A 118 49.197 23.307 19.126 1.00 0.00 C ATOM 1888 CD ARG A 118 48.200 24.169 18.344 1.00 0.00 C ATOM 1889 NE ARG A 118 49.009 25.299 17.781 1.00 0.00 N ATOM 1890 CZ ARG A 118 48.556 26.041 16.787 1.00 0.00 C ATOM 1891 NH1 ARG A 118 47.376 25.830 16.251 1.00 0.00 N ATOM 1892 NH2 ARG A 118 49.299 27.011 16.329 1.00 0.00 N ATOM 0 H ARG A 118 49.258 22.316 22.026 1.00 0.00 H new ATOM 0 HA ARG A 118 46.824 23.191 20.468 1.00 0.00 H new ATOM 0 HB2 ARG A 118 49.229 21.328 19.996 1.00 0.00 H new ATOM 0 HB3 ARG A 118 47.946 21.569 18.827 1.00 0.00 H new ATOM 0 HG2 ARG A 118 49.606 23.874 19.962 1.00 0.00 H new ATOM 0 HG3 ARG A 118 50.036 23.032 18.487 1.00 0.00 H new ATOM 0 HD2 ARG A 118 47.721 23.595 17.551 1.00 0.00 H new ATOM 0 HD3 ARG A 118 47.406 24.539 18.993 1.00 0.00 H new ATOM 0 HE ARG A 118 49.929 25.499 18.174 1.00 0.00 H new ATOM 0 HH11 ARG A 118 46.784 25.077 16.602 1.00 0.00 H new ATOM 0 HH12 ARG A 118 47.052 26.419 15.484 1.00 0.00 H new ATOM 0 HH21 ARG A 118 50.216 27.188 16.738 1.00 0.00 H new ATOM 0 HH22 ARG A 118 48.962 27.593 15.562 1.00 0.00 H new ATOM 1906 N GLU A 119 45.516 21.066 20.665 1.00 0.00 N ATOM 1907 CA GLU A 119 44.645 19.908 21.034 1.00 0.00 C ATOM 1908 C GLU A 119 44.501 18.955 19.844 1.00 0.00 C ATOM 1909 O GLU A 119 44.760 19.322 18.712 1.00 0.00 O ATOM 1910 CB GLU A 119 43.293 20.524 21.394 1.00 0.00 C ATOM 1911 CG GLU A 119 43.434 21.368 22.666 1.00 0.00 C ATOM 1912 CD GLU A 119 42.062 21.908 23.085 1.00 0.00 C ATOM 1913 OE1 GLU A 119 41.817 21.978 24.278 1.00 0.00 O ATOM 1914 OE2 GLU A 119 41.284 22.250 22.209 1.00 0.00 O ATOM 0 H GLU A 119 45.109 21.711 19.988 1.00 0.00 H new ATOM 0 HA GLU A 119 45.059 19.328 21.858 1.00 0.00 H new ATOM 0 HB2 GLU A 119 42.934 21.144 20.572 1.00 0.00 H new ATOM 0 HB3 GLU A 119 42.553 19.738 21.547 1.00 0.00 H new ATOM 0 HG2 GLU A 119 43.858 20.765 23.469 1.00 0.00 H new ATOM 0 HG3 GLU A 119 44.122 22.195 22.491 1.00 0.00 H new ATOM 1921 N LYS A 120 44.088 17.736 20.096 1.00 0.00 N ATOM 1922 CA LYS A 120 43.923 16.747 18.984 1.00 0.00 C ATOM 1923 C LYS A 120 42.570 16.946 18.297 1.00 0.00 C ATOM 1924 O LYS A 120 41.551 17.084 18.947 1.00 0.00 O ATOM 1925 CB LYS A 120 43.988 15.371 19.653 1.00 0.00 C ATOM 1926 CG LYS A 120 44.064 14.282 18.581 1.00 0.00 C ATOM 1927 CD LYS A 120 45.468 14.260 17.974 1.00 0.00 C ATOM 1928 CE LYS A 120 45.566 13.120 16.957 1.00 0.00 C ATOM 1929 NZ LYS A 120 45.793 11.895 17.772 1.00 0.00 N ATOM 0 H LYS A 120 43.858 17.383 21.025 1.00 0.00 H new ATOM 0 HA LYS A 120 44.690 16.860 18.218 1.00 0.00 H new ATOM 0 HB2 LYS A 120 44.859 15.314 20.306 1.00 0.00 H new ATOM 0 HB3 LYS A 120 43.109 15.218 20.279 1.00 0.00 H new ATOM 0 HG2 LYS A 120 43.830 13.311 19.017 1.00 0.00 H new ATOM 0 HG3 LYS A 120 43.323 14.470 17.804 1.00 0.00 H new ATOM 0 HD2 LYS A 120 45.682 15.213 17.490 1.00 0.00 H new ATOM 0 HD3 LYS A 120 46.213 14.127 18.758 1.00 0.00 H new ATOM 0 HE2 LYS A 120 44.653 13.038 16.367 1.00 0.00 H new ATOM 0 HE3 LYS A 120 46.385 13.285 16.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 46.765 11.555 17.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 45.653 12.117 18.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 45.120 11.156 17.483 1.00 0.00 H new ATOM 1943 N ASP A 121 42.558 16.962 16.986 1.00 0.00 N ATOM 1944 CA ASP A 121 41.275 17.155 16.240 1.00 0.00 C ATOM 1945 C ASP A 121 41.221 16.223 15.022 1.00 0.00 C ATOM 1946 O ASP A 121 42.251 15.663 14.684 1.00 0.00 O ATOM 1947 CB ASP A 121 41.268 18.630 15.805 1.00 0.00 C ATOM 1948 CG ASP A 121 42.496 18.941 14.937 1.00 0.00 C ATOM 1949 OD1 ASP A 121 43.598 18.870 15.455 1.00 0.00 O ATOM 1950 OD2 ASP A 121 42.309 19.245 13.770 1.00 0.00 O ATOM 1951 OXT ASP A 121 40.152 16.086 14.451 1.00 0.00 O ATOM 0 H ASP A 121 43.384 16.849 16.399 1.00 0.00 H new ATOM 0 HA ASP A 121 40.406 16.918 16.854 1.00 0.00 H new ATOM 0 HB2 ASP A 121 40.357 18.846 15.247 1.00 0.00 H new ATOM 0 HB3 ASP A 121 41.264 19.274 16.684 1.00 0.00 H new TER 1956 ASP A 121