USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 782 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 87 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 121 MET CE :methyl 172:sc= 0 (180deg=-0.113) USER MOD Set 2.1: A 97 THR OG1 : rot 82:sc= 1.63 USER MOD Set 2.2: A 112 LYS NZ :NH3+ -172:sc= 0.401 (180deg=0) USER MOD Set 3.1: A 73 TYR OH : rot 0:sc= 1.21 USER MOD Set 3.2: A 83 THR OG1 : rot 130:sc= 1.05 USER MOD Set 4.1: A 47 ASN : amide:sc= 0.86 K(o=1.6,f=-1.2) USER MOD Set 4.2: A 62 GLN : amide:sc= 0.751 K(o=1.6,f=-1.6) USER MOD Set 4.3: A 64 TYR OH : rot -73:sc= 0.00411 USER MOD Set 5.1: A 57 ASN : amide:sc= 1.09 K(o=1.7,f=0.29) USER MOD Set 5.2: A 72 GLN : amide:sc= 0.641 K(o=1.7,f=0.29) USER MOD Set 6.1: A 42 GLN : amide:sc= 0.208 X(o=0.41,f=-0.023) USER MOD Set 6.2: A 44 SER OG : rot 180:sc= 0.199 USER MOD Set 7.1: A 41 SER OG : rot 90:sc= 0.67 USER MOD Set 7.2: A 53 THR OG1 : rot -90:sc= 0.127 USER MOD Set 8.1: A 24 ASN : amide:sc= 0.887 K(o=1.1,f=0.52) USER MOD Set 8.2: A 26 TYR OH : rot 180:sc= 0.251 USER MOD Set 9.1: A 23 THR OG1 : rot 71:sc= 0.577 USER MOD Set 9.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set10.1: A 14 ASN : amide:sc= 1.05 K(o=2.9,f=0.76) USER MOD Set10.2: A 29 ASN : amide:sc= 1.87 K(o=2.9,f=-0.11) USER MOD Set11.1: A 12 THR OG1 : rot 120:sc= 1.22 USER MOD Set11.2: A 15 SER OG : rot 102:sc= 1.84 USER MOD Single : A 6 ASN : amide:sc= 1.25 K(o=1.3,f=-11!) USER MOD Single : A 7 THR OG1 : rot 79:sc= 0.787 USER MOD Single : A 8 ASN : amide:sc= -0.354 K(o=-0.35,f=-0.9) USER MOD Single : A 9 SER OG : rot 100:sc= 0.409 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0511 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 131:sc= 0.644 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 86:sc= 1.92 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 80:sc= 1.5 USER MOD Single : A 43 TYR OH : rot 30:sc= -0.0385 USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.23) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 62:sc= 1.56 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.14) USER MOD Single : A 61 SER OG : rot 70:sc= 1.82 USER MOD Single : A 66 THR OG1 : rot 69:sc= 1.46 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 66:sc= 1.38 USER MOD Single : A 74 ASN : amide:sc= 1.18 K(o=1.2,f=-0.18) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 64:sc= 1.56 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0081 USER MOD Single : A 86 THR OG1 : rot 21:sc= 1.18 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 100:sc= 1 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 7:sc= 0.723 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 10.798 -2.355 -1.247 1.00 0.00 N ATOM 47 CA VAL A 5 11.494 -1.328 -2.014 1.00 0.00 C ATOM 48 C VAL A 5 12.988 -1.689 -2.014 1.00 0.00 C ATOM 49 O VAL A 5 13.805 -1.066 -1.331 1.00 0.00 O ATOM 50 CB VAL A 5 11.169 0.079 -1.450 1.00 0.00 C ATOM 51 CG1 VAL A 5 11.708 1.189 -2.367 1.00 0.00 C ATOM 52 CG2 VAL A 5 9.653 0.298 -1.289 1.00 0.00 C ATOM 0 HA VAL A 5 11.161 -1.291 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 5 11.652 0.128 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.463 2.163 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.790 1.094 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.253 1.099 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.470 1.296 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.166 0.199 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.249 -0.446 -0.603 1.00 0.00 H new ATOM 62 N ASN A 6 13.340 -2.763 -2.725 1.00 0.00 N ATOM 63 CA ASN A 6 14.726 -3.161 -2.915 1.00 0.00 C ATOM 64 C ASN A 6 15.359 -2.255 -3.976 1.00 0.00 C ATOM 65 O ASN A 6 14.933 -2.271 -5.134 1.00 0.00 O ATOM 66 CB ASN A 6 14.828 -4.639 -3.329 1.00 0.00 C ATOM 67 CG ASN A 6 16.286 -5.063 -3.479 1.00 0.00 C ATOM 68 OD1 ASN A 6 17.195 -4.297 -3.183 1.00 0.00 O ATOM 69 ND2 ASN A 6 16.556 -6.280 -3.920 1.00 0.00 N ATOM 0 H ASN A 6 12.667 -3.378 -3.183 1.00 0.00 H new ATOM 0 HA ASN A 6 15.263 -3.052 -1.973 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.338 -5.264 -2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.301 -4.794 -4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 6 17.525 -6.585 -4.015 1.00 0.00 H new ATOM 0 HD22 ASN A 6 15.796 -6.914 -4.165 1.00 0.00 H new ATOM 76 N THR A 7 16.361 -1.470 -3.584 1.00 0.00 N ATOM 77 CA THR A 7 17.087 -0.574 -4.477 1.00 0.00 C ATOM 78 C THR A 7 18.119 -1.368 -5.299 1.00 0.00 C ATOM 79 O THR A 7 18.078 -1.339 -6.531 1.00 0.00 O ATOM 80 CB THR A 7 17.761 0.541 -3.647 1.00 0.00 C ATOM 81 OG1 THR A 7 16.886 1.057 -2.660 1.00 0.00 O ATOM 82 CG2 THR A 7 18.241 1.700 -4.523 1.00 0.00 C ATOM 0 H THR A 7 16.695 -1.440 -2.621 1.00 0.00 H new ATOM 0 HA THR A 7 16.394 -0.109 -5.178 1.00 0.00 H new ATOM 0 HB THR A 7 18.622 0.076 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.862 0.447 -1.893 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.708 2.460 -3.897 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.966 1.332 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.391 2.135 -5.049 1.00 0.00 H new ATOM 90 N ASN A 8 19.047 -2.068 -4.627 1.00 0.00 N ATOM 91 CA ASN A 8 20.207 -2.738 -5.237 1.00 0.00 C ATOM 92 C ASN A 8 20.793 -3.790 -4.277 1.00 0.00 C ATOM 93 O ASN A 8 22.010 -3.941 -4.148 1.00 0.00 O ATOM 94 CB ASN A 8 21.269 -1.687 -5.628 1.00 0.00 C ATOM 95 CG ASN A 8 22.416 -2.289 -6.443 1.00 0.00 C ATOM 96 OD1 ASN A 8 22.221 -3.189 -7.258 1.00 0.00 O ATOM 97 ND2 ASN A 8 23.632 -1.798 -6.263 1.00 0.00 N ATOM 0 H ASN A 8 19.010 -2.187 -3.615 1.00 0.00 H new ATOM 0 HA ASN A 8 19.885 -3.258 -6.139 1.00 0.00 H new ATOM 0 HB2 ASN A 8 20.795 -0.893 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 8 21.671 -1.228 -4.725 1.00 0.00 H new ATOM 0 HD21 ASN A 8 24.416 -2.166 -6.802 1.00 0.00 H new ATOM 0 HD22 ASN A 8 23.785 -1.052 -5.585 1.00 0.00 H new ATOM 104 N SER A 9 19.932 -4.439 -3.499 1.00 0.00 N ATOM 105 CA SER A 9 20.283 -5.330 -2.399 1.00 0.00 C ATOM 106 C SER A 9 20.099 -6.784 -2.813 1.00 0.00 C ATOM 107 O SER A 9 19.394 -7.084 -3.782 1.00 0.00 O ATOM 108 CB SER A 9 19.387 -5.026 -1.194 1.00 0.00 C ATOM 109 OG SER A 9 19.328 -3.624 -0.991 1.00 0.00 O ATOM 0 H SER A 9 18.923 -4.354 -3.625 1.00 0.00 H new ATOM 0 HA SER A 9 21.328 -5.169 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.386 -5.422 -1.363 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.778 -5.517 -0.303 1.00 0.00 H new ATOM 0 HG SER A 9 18.495 -3.273 -1.370 1.00 0.00 H new ATOM 115 N GLN A 10 20.691 -7.684 -2.031 1.00 0.00 N ATOM 116 CA GLN A 10 20.635 -9.116 -2.249 1.00 0.00 C ATOM 117 C GLN A 10 19.818 -9.724 -1.114 1.00 0.00 C ATOM 118 O GLN A 10 20.070 -9.454 0.060 1.00 0.00 O ATOM 119 CB GLN A 10 22.069 -9.661 -2.361 1.00 0.00 C ATOM 120 CG GLN A 10 22.239 -11.100 -1.856 1.00 0.00 C ATOM 121 CD GLN A 10 23.638 -11.676 -2.101 1.00 0.00 C ATOM 122 OE1 GLN A 10 24.276 -11.428 -3.122 1.00 0.00 O ATOM 123 NE2 GLN A 10 24.154 -12.460 -1.167 1.00 0.00 N ATOM 0 H GLN A 10 21.235 -7.424 -1.209 1.00 0.00 H new ATOM 0 HA GLN A 10 20.140 -9.383 -3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 10 22.382 -9.615 -3.404 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.738 -9.010 -1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 10 22.026 -11.129 -0.787 1.00 0.00 H new ATOM 0 HG3 GLN A 10 21.502 -11.737 -2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.622 -12.664 -0.321 1.00 0.00 H new ATOM 0 HE22 GLN A 10 25.084 -12.860 -1.294 1.00 0.00 H new ATOM 132 N ILE A 11 18.880 -10.579 -1.502 1.00 0.00 N ATOM 133 CA ILE A 11 17.953 -11.317 -0.655 1.00 0.00 C ATOM 134 C ILE A 11 18.105 -12.771 -1.104 1.00 0.00 C ATOM 135 O ILE A 11 17.961 -13.043 -2.301 1.00 0.00 O ATOM 136 CB ILE A 11 16.497 -10.804 -0.862 1.00 0.00 C ATOM 137 CG1 ILE A 11 16.327 -9.269 -0.959 1.00 0.00 C ATOM 138 CG2 ILE A 11 15.560 -11.377 0.213 1.00 0.00 C ATOM 139 CD1 ILE A 11 16.724 -8.468 0.280 1.00 0.00 C ATOM 0 H ILE A 11 18.737 -10.790 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 11 18.163 -11.196 0.408 1.00 0.00 H new ATOM 0 HB ILE A 11 16.221 -11.176 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 11 16.918 -8.911 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.283 -9.053 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.548 -11.006 0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.561 -12.465 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 11 15.905 -11.067 1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.562 -7.406 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 11 16.117 -8.785 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.777 -8.641 0.503 1.00 0.00 H new ATOM 151 N THR A 12 18.453 -13.693 -0.203 1.00 0.00 N ATOM 152 CA THR A 12 18.623 -15.091 -0.615 1.00 0.00 C ATOM 153 C THR A 12 17.266 -15.736 -0.942 1.00 0.00 C ATOM 154 O THR A 12 16.208 -15.214 -0.578 1.00 0.00 O ATOM 155 CB THR A 12 19.432 -15.906 0.407 1.00 0.00 C ATOM 156 OG1 THR A 12 18.827 -15.894 1.686 1.00 0.00 O ATOM 157 CG2 THR A 12 20.870 -15.397 0.522 1.00 0.00 C ATOM 0 H THR A 12 18.619 -13.508 0.786 1.00 0.00 H new ATOM 0 HA THR A 12 19.213 -15.095 -1.531 1.00 0.00 H new ATOM 0 HB THR A 12 19.448 -16.931 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.609 -16.811 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.411 -15.997 1.253 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.362 -15.475 -0.447 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.863 -14.355 0.842 1.00 0.00 H new ATOM 165 N ALA A 13 17.295 -16.908 -1.588 1.00 0.00 N ATOM 166 CA ALA A 13 16.107 -17.646 -2.015 1.00 0.00 C ATOM 167 C ALA A 13 15.139 -17.974 -0.870 1.00 0.00 C ATOM 168 O ALA A 13 13.944 -18.140 -1.121 1.00 0.00 O ATOM 169 CB ALA A 13 16.557 -18.949 -2.682 1.00 0.00 C ATOM 0 H ALA A 13 18.167 -17.378 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 13 15.561 -17.004 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.682 -19.512 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.182 -18.719 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 13 17.128 -19.544 -1.969 1.00 0.00 H new ATOM 175 N ASN A 14 15.639 -18.077 0.369 1.00 0.00 N ATOM 176 CA ASN A 14 14.831 -18.422 1.546 1.00 0.00 C ATOM 177 C ASN A 14 14.687 -17.243 2.519 1.00 0.00 C ATOM 178 O ASN A 14 13.999 -17.359 3.536 1.00 0.00 O ATOM 179 CB ASN A 14 15.409 -19.661 2.250 1.00 0.00 C ATOM 180 CG ASN A 14 14.399 -20.266 3.227 1.00 0.00 C ATOM 181 OD1 ASN A 14 13.295 -20.639 2.840 1.00 0.00 O ATOM 182 ND2 ASN A 14 14.745 -20.403 4.495 1.00 0.00 N ATOM 0 H ASN A 14 16.624 -17.922 0.584 1.00 0.00 H new ATOM 0 HA ASN A 14 13.827 -18.660 1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.690 -20.406 1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.318 -19.387 2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.093 -20.821 5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.664 -20.091 4.810 1.00 0.00 H new ATOM 189 N SER A 15 15.326 -16.110 2.224 1.00 0.00 N ATOM 190 CA SER A 15 15.095 -14.865 2.939 1.00 0.00 C ATOM 191 C SER A 15 13.722 -14.291 2.562 1.00 0.00 C ATOM 192 O SER A 15 13.064 -14.768 1.630 1.00 0.00 O ATOM 193 CB SER A 15 16.206 -13.880 2.579 1.00 0.00 C ATOM 194 OG SER A 15 17.411 -14.245 3.211 1.00 0.00 O ATOM 0 H SER A 15 16.019 -16.035 1.480 1.00 0.00 H new ATOM 0 HA SER A 15 15.104 -15.045 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.347 -13.860 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.920 -12.873 2.882 1.00 0.00 H new ATOM 0 HG SER A 15 17.997 -14.692 2.565 1.00 0.00 H new ATOM 200 N GLN A 16 13.302 -13.234 3.260 1.00 0.00 N ATOM 201 CA GLN A 16 12.085 -12.485 2.987 1.00 0.00 C ATOM 202 C GLN A 16 12.420 -10.999 3.085 1.00 0.00 C ATOM 203 O GLN A 16 13.213 -10.591 3.938 1.00 0.00 O ATOM 204 CB GLN A 16 10.979 -12.853 3.996 1.00 0.00 C ATOM 205 CG GLN A 16 10.562 -14.333 3.944 1.00 0.00 C ATOM 206 CD GLN A 16 9.471 -14.674 4.966 1.00 0.00 C ATOM 207 OE1 GLN A 16 8.526 -13.919 5.184 1.00 0.00 O ATOM 208 NE2 GLN A 16 9.573 -15.821 5.619 1.00 0.00 N ATOM 0 H GLN A 16 13.822 -12.867 4.058 1.00 0.00 H new ATOM 0 HA GLN A 16 11.713 -12.727 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.325 -12.617 5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.104 -12.231 3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.204 -14.571 2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.435 -14.959 4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.359 -16.445 5.435 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.866 -16.081 6.306 1.00 0.00 H new ATOM 217 N CYS A 17 11.799 -10.191 2.229 1.00 0.00 N ATOM 218 CA CYS A 17 11.891 -8.740 2.239 1.00 0.00 C ATOM 219 C CYS A 17 10.481 -8.268 1.902 1.00 0.00 C ATOM 220 O CYS A 17 10.026 -8.509 0.783 1.00 0.00 O ATOM 221 CB CYS A 17 12.954 -8.320 1.216 1.00 0.00 C ATOM 222 SG CYS A 17 13.355 -6.556 1.102 1.00 0.00 S ATOM 0 H CYS A 17 11.198 -10.545 1.485 1.00 0.00 H new ATOM 0 HA CYS A 17 12.203 -8.301 3.187 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.873 -8.860 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 17 12.625 -8.654 0.232 1.00 0.00 H new ATOM 0 HG CYS A 17 14.269 -6.376 0.195 1.00 0.00 H new ATOM 227 N VAL A 18 9.766 -7.662 2.855 1.00 0.00 N ATOM 228 CA VAL A 18 8.334 -7.373 2.709 1.00 0.00 C ATOM 229 C VAL A 18 8.035 -6.001 3.318 1.00 0.00 C ATOM 230 O VAL A 18 8.353 -5.766 4.482 1.00 0.00 O ATOM 231 CB VAL A 18 7.485 -8.500 3.357 1.00 0.00 C ATOM 232 CG1 VAL A 18 5.993 -8.330 3.037 1.00 0.00 C ATOM 233 CG2 VAL A 18 7.892 -9.912 2.896 1.00 0.00 C ATOM 0 H VAL A 18 10.160 -7.359 3.746 1.00 0.00 H new ATOM 0 HA VAL A 18 8.065 -7.343 1.653 1.00 0.00 H new ATOM 0 HB VAL A 18 7.671 -8.407 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.426 -9.135 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.646 -7.371 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.846 -8.363 1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.259 -10.651 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.771 -9.991 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.934 -10.094 3.159 1.00 0.00 H new ATOM 243 N LYS A 19 7.444 -5.092 2.528 1.00 0.00 N ATOM 244 CA LYS A 19 7.160 -3.671 2.815 1.00 0.00 C ATOM 245 C LYS A 19 8.386 -2.798 3.113 1.00 0.00 C ATOM 246 O LYS A 19 8.298 -1.579 2.974 1.00 0.00 O ATOM 247 CB LYS A 19 6.121 -3.507 3.942 1.00 0.00 C ATOM 248 CG LYS A 19 4.780 -4.228 3.750 1.00 0.00 C ATOM 249 CD LYS A 19 4.015 -3.877 2.463 1.00 0.00 C ATOM 250 CE LYS A 19 3.659 -2.384 2.394 1.00 0.00 C ATOM 251 NZ LYS A 19 2.858 -2.052 1.188 1.00 0.00 N ATOM 0 H LYS A 19 7.125 -5.350 1.594 1.00 0.00 H new ATOM 0 HA LYS A 19 6.752 -3.302 1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.568 -3.860 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.921 -2.443 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.961 -5.303 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.141 -4.003 4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.620 -4.146 1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.102 -4.470 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.100 -2.104 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.575 -1.794 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.642 -1.035 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.400 -2.294 0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.971 -2.595 1.200 1.00 0.00 H new ATOM 265 N SER A 20 9.498 -3.387 3.537 1.00 0.00 N ATOM 266 CA SER A 20 10.739 -2.718 3.880 1.00 0.00 C ATOM 267 C SER A 20 11.356 -1.951 2.707 1.00 0.00 C ATOM 268 O SER A 20 10.909 -2.051 1.563 1.00 0.00 O ATOM 269 CB SER A 20 11.685 -3.787 4.432 1.00 0.00 C ATOM 270 OG SER A 20 11.047 -4.449 5.512 1.00 0.00 O ATOM 0 H SER A 20 9.557 -4.398 3.656 1.00 0.00 H new ATOM 0 HA SER A 20 10.546 -1.950 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.943 -4.502 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.616 -3.330 4.767 1.00 0.00 H new ATOM 0 HG SER A 20 11.124 -5.419 5.393 1.00 0.00 H new ATOM 276 N THR A 21 12.435 -1.229 2.990 1.00 0.00 N ATOM 277 CA THR A 21 13.302 -0.592 2.013 1.00 0.00 C ATOM 278 C THR A 21 14.689 -1.213 2.193 1.00 0.00 C ATOM 279 O THR A 21 15.078 -1.532 3.317 1.00 0.00 O ATOM 280 CB THR A 21 13.275 0.930 2.256 1.00 0.00 C ATOM 281 OG1 THR A 21 11.945 1.412 2.170 1.00 0.00 O ATOM 282 CG2 THR A 21 14.120 1.709 1.242 1.00 0.00 C ATOM 0 H THR A 21 12.740 -1.066 3.950 1.00 0.00 H new ATOM 0 HA THR A 21 12.984 -0.748 0.982 1.00 0.00 H new ATOM 0 HB THR A 21 13.693 1.087 3.250 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.937 2.379 2.327 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.063 2.775 1.463 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.158 1.381 1.304 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.742 1.526 0.236 1.00 0.00 H new ATOM 290 N ALA A 22 15.446 -1.406 1.114 1.00 0.00 N ATOM 291 CA ALA A 22 16.769 -2.004 1.199 1.00 0.00 C ATOM 292 C ALA A 22 17.695 -1.274 0.240 1.00 0.00 C ATOM 293 O ALA A 22 17.369 -1.129 -0.941 1.00 0.00 O ATOM 294 CB ALA A 22 16.681 -3.506 0.893 1.00 0.00 C ATOM 0 H ALA A 22 15.160 -1.154 0.168 1.00 0.00 H new ATOM 0 HA ALA A 22 17.174 -1.906 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 22 17.675 -3.949 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.021 -3.986 1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.284 -3.650 -0.112 1.00 0.00 H new ATOM 300 N THR A 23 18.847 -0.839 0.743 1.00 0.00 N ATOM 301 CA THR A 23 19.773 0.018 0.019 1.00 0.00 C ATOM 302 C THR A 23 21.141 -0.678 0.004 1.00 0.00 C ATOM 303 O THR A 23 21.954 -0.499 0.911 1.00 0.00 O ATOM 304 CB THR A 23 19.776 1.443 0.627 1.00 0.00 C ATOM 305 OG1 THR A 23 18.558 1.754 1.287 1.00 0.00 O ATOM 306 CG2 THR A 23 20.023 2.501 -0.452 1.00 0.00 C ATOM 0 H THR A 23 19.166 -1.078 1.682 1.00 0.00 H new ATOM 0 HA THR A 23 19.471 0.163 -1.018 1.00 0.00 H new ATOM 0 HB THR A 23 20.584 1.454 1.358 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.493 1.235 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.020 3.492 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.989 2.321 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.236 2.444 -1.204 1.00 0.00 H new ATOM 314 N ASN A 24 21.359 -1.520 -1.013 1.00 0.00 N ATOM 315 CA ASN A 24 22.503 -2.424 -1.169 1.00 0.00 C ATOM 316 C ASN A 24 22.815 -3.209 0.109 1.00 0.00 C ATOM 317 O ASN A 24 23.937 -3.203 0.610 1.00 0.00 O ATOM 318 CB ASN A 24 23.714 -1.715 -1.799 1.00 0.00 C ATOM 319 CG ASN A 24 24.852 -2.696 -2.092 1.00 0.00 C ATOM 320 OD1 ASN A 24 25.975 -2.521 -1.627 1.00 0.00 O ATOM 321 ND2 ASN A 24 24.604 -3.740 -2.869 1.00 0.00 N ATOM 0 H ASN A 24 20.705 -1.592 -1.792 1.00 0.00 H new ATOM 0 HA ASN A 24 22.217 -3.190 -1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 24 23.409 -1.224 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 24 24.070 -0.935 -1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 24 25.348 -4.404 -3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 24 23.669 -3.880 -3.252 1.00 0.00 H new ATOM 328 N CYS A 25 21.791 -3.859 0.663 1.00 0.00 N ATOM 329 CA CYS A 25 21.925 -4.713 1.835 1.00 0.00 C ATOM 330 C CYS A 25 22.204 -6.138 1.377 1.00 0.00 C ATOM 331 O CYS A 25 22.056 -6.463 0.195 1.00 0.00 O ATOM 332 CB CYS A 25 20.637 -4.694 2.661 1.00 0.00 C ATOM 333 SG CYS A 25 19.906 -3.062 2.881 1.00 0.00 S ATOM 0 H CYS A 25 20.838 -3.804 0.304 1.00 0.00 H new ATOM 0 HA CYS A 25 22.744 -4.345 2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 25 19.905 -5.343 2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.845 -5.119 3.643 1.00 0.00 H new ATOM 338 N TYR A 26 22.524 -7.006 2.331 1.00 0.00 N ATOM 339 CA TYR A 26 22.784 -8.411 2.084 1.00 0.00 C ATOM 340 C TYR A 26 22.027 -9.180 3.159 1.00 0.00 C ATOM 341 O TYR A 26 22.336 -9.075 4.346 1.00 0.00 O ATOM 342 CB TYR A 26 24.300 -8.651 2.072 1.00 0.00 C ATOM 343 CG TYR A 26 24.988 -8.007 0.877 1.00 0.00 C ATOM 344 CD1 TYR A 26 25.386 -6.655 0.924 1.00 0.00 C ATOM 345 CD2 TYR A 26 25.155 -8.738 -0.315 1.00 0.00 C ATOM 346 CE1 TYR A 26 25.892 -6.023 -0.225 1.00 0.00 C ATOM 347 CE2 TYR A 26 25.671 -8.115 -1.466 1.00 0.00 C ATOM 348 CZ TYR A 26 26.024 -6.746 -1.433 1.00 0.00 C ATOM 349 OH TYR A 26 26.482 -6.113 -2.552 1.00 0.00 O ATOM 0 H TYR A 26 22.610 -6.744 3.313 1.00 0.00 H new ATOM 0 HA TYR A 26 22.435 -8.756 1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 26 24.733 -8.257 2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 26 24.494 -9.724 2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 26 25.302 -6.102 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 26 24.885 -9.783 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 26 26.181 -4.983 -0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 26 25.798 -8.683 -2.376 1.00 0.00 H new ATOM 0 HH TYR A 26 26.515 -6.749 -3.297 1.00 0.00 H new ATOM 359 N ILE A 27 20.977 -9.881 2.739 1.00 0.00 N ATOM 360 CA ILE A 27 19.990 -10.521 3.591 1.00 0.00 C ATOM 361 C ILE A 27 20.139 -12.015 3.305 1.00 0.00 C ATOM 362 O ILE A 27 19.815 -12.464 2.202 1.00 0.00 O ATOM 363 CB ILE A 27 18.586 -9.959 3.235 1.00 0.00 C ATOM 364 CG1 ILE A 27 18.470 -8.416 3.306 1.00 0.00 C ATOM 365 CG2 ILE A 27 17.470 -10.614 4.058 1.00 0.00 C ATOM 366 CD1 ILE A 27 18.838 -7.781 4.648 1.00 0.00 C ATOM 0 H ILE A 27 20.786 -10.022 1.747 1.00 0.00 H new ATOM 0 HA ILE A 27 20.125 -10.335 4.657 1.00 0.00 H new ATOM 0 HB ILE A 27 18.455 -10.227 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.110 -7.987 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 27 17.445 -8.136 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.509 -10.187 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 27 17.461 -11.688 3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.646 -10.434 5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 27 18.720 -6.699 4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 27 18.183 -8.171 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 27 19.873 -8.019 4.892 1.00 0.00 H new ATOM 378 N ASP A 28 20.677 -12.767 4.269 1.00 0.00 N ATOM 379 CA ASP A 28 21.008 -14.183 4.136 1.00 0.00 C ATOM 380 C ASP A 28 20.202 -14.962 5.164 1.00 0.00 C ATOM 381 O ASP A 28 20.320 -14.706 6.361 1.00 0.00 O ATOM 382 CB ASP A 28 22.510 -14.396 4.357 1.00 0.00 C ATOM 383 CG ASP A 28 22.842 -15.884 4.561 1.00 0.00 C ATOM 384 OD1 ASP A 28 22.553 -16.701 3.659 1.00 0.00 O ATOM 385 OD2 ASP A 28 23.427 -16.242 5.607 1.00 0.00 O ATOM 0 H ASP A 28 20.900 -12.393 5.191 1.00 0.00 H new ATOM 0 HA ASP A 28 20.762 -14.534 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.063 -14.012 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 28 22.836 -13.826 5.227 1.00 0.00 H new ATOM 390 N ASN A 29 19.368 -15.889 4.693 1.00 0.00 N ATOM 391 CA ASN A 29 18.345 -16.615 5.453 1.00 0.00 C ATOM 392 C ASN A 29 17.607 -15.727 6.472 1.00 0.00 C ATOM 393 O ASN A 29 17.316 -16.167 7.586 1.00 0.00 O ATOM 394 CB ASN A 29 18.944 -17.881 6.098 1.00 0.00 C ATOM 395 CG ASN A 29 17.841 -18.885 6.430 1.00 0.00 C ATOM 396 OD1 ASN A 29 17.140 -19.341 5.533 1.00 0.00 O ATOM 397 ND2 ASN A 29 17.655 -19.282 7.678 1.00 0.00 N ATOM 0 H ASN A 29 19.388 -16.171 3.713 1.00 0.00 H new ATOM 0 HA ASN A 29 17.580 -16.931 4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.666 -18.336 5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.485 -17.613 7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.930 -19.966 7.893 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.237 -18.904 8.426 1.00 0.00 H new ATOM 404 N SER A 30 17.328 -14.470 6.119 1.00 0.00 N ATOM 405 CA SER A 30 16.840 -13.455 7.044 1.00 0.00 C ATOM 406 C SER A 30 15.536 -12.826 6.561 1.00 0.00 C ATOM 407 O SER A 30 15.162 -12.955 5.397 1.00 0.00 O ATOM 408 CB SER A 30 17.929 -12.397 7.251 1.00 0.00 C ATOM 409 OG SER A 30 19.056 -12.943 7.898 1.00 0.00 O ATOM 0 H SER A 30 17.438 -14.127 5.165 1.00 0.00 H new ATOM 0 HA SER A 30 16.616 -13.930 7.999 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.225 -11.983 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.531 -11.573 7.843 1.00 0.00 H new ATOM 0 HG SER A 30 19.656 -13.339 7.232 1.00 0.00 H new ATOM 415 N GLN A 31 14.829 -12.146 7.464 1.00 0.00 N ATOM 416 CA GLN A 31 13.477 -11.649 7.237 1.00 0.00 C ATOM 417 C GLN A 31 13.456 -10.149 7.530 1.00 0.00 C ATOM 418 O GLN A 31 13.307 -9.744 8.682 1.00 0.00 O ATOM 419 CB GLN A 31 12.472 -12.429 8.105 1.00 0.00 C ATOM 420 CG GLN A 31 12.401 -13.926 7.761 1.00 0.00 C ATOM 421 CD GLN A 31 11.376 -14.661 8.632 1.00 0.00 C ATOM 422 OE1 GLN A 31 10.212 -14.281 8.721 1.00 0.00 O ATOM 423 NE2 GLN A 31 11.781 -15.732 9.299 1.00 0.00 N ATOM 0 H GLN A 31 15.190 -11.922 8.391 1.00 0.00 H new ATOM 0 HA GLN A 31 13.180 -11.802 6.199 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.746 -12.317 9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.482 -11.989 7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.138 -14.046 6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.384 -14.377 7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.749 -16.045 9.222 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.125 -16.244 9.889 1.00 0.00 H new ATOM 432 N LEU A 32 13.655 -9.329 6.496 1.00 0.00 N ATOM 433 CA LEU A 32 13.597 -7.873 6.575 1.00 0.00 C ATOM 434 C LEU A 32 12.139 -7.458 6.352 1.00 0.00 C ATOM 435 O LEU A 32 11.752 -7.191 5.209 1.00 0.00 O ATOM 436 CB LEU A 32 14.558 -7.277 5.527 1.00 0.00 C ATOM 437 CG LEU A 32 14.647 -5.738 5.569 1.00 0.00 C ATOM 438 CD1 LEU A 32 15.414 -5.230 6.794 1.00 0.00 C ATOM 439 CD2 LEU A 32 15.329 -5.222 4.301 1.00 0.00 C ATOM 0 H LEU A 32 13.866 -9.670 5.558 1.00 0.00 H new ATOM 0 HA LEU A 32 13.916 -7.497 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.553 -7.694 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.234 -7.586 4.533 1.00 0.00 H new ATOM 0 HG LEU A 32 13.627 -5.360 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.448 -4.141 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.911 -5.562 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.430 -5.625 6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.389 -4.134 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.334 -5.639 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.751 -5.525 3.428 1.00 0.00 H new ATOM 451 N VAL A 33 11.310 -7.394 7.397 1.00 0.00 N ATOM 452 CA VAL A 33 9.865 -7.241 7.210 1.00 0.00 C ATOM 453 C VAL A 33 9.258 -6.065 7.989 1.00 0.00 C ATOM 454 O VAL A 33 9.934 -5.374 8.758 1.00 0.00 O ATOM 455 CB VAL A 33 9.166 -8.603 7.457 1.00 0.00 C ATOM 456 CG1 VAL A 33 9.656 -9.681 6.472 1.00 0.00 C ATOM 457 CG2 VAL A 33 9.333 -9.139 8.886 1.00 0.00 C ATOM 0 H VAL A 33 11.610 -7.445 8.371 1.00 0.00 H new ATOM 0 HA VAL A 33 9.682 -6.958 6.173 1.00 0.00 H new ATOM 0 HB VAL A 33 8.108 -8.397 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.143 -10.621 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.441 -9.365 5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.731 -9.821 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.816 -10.094 8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.393 -9.277 9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.909 -8.427 9.594 1.00 0.00 H new ATOM 467 N ASP A 34 7.959 -5.852 7.746 1.00 0.00 N ATOM 468 CA ASP A 34 7.117 -4.770 8.250 1.00 0.00 C ATOM 469 C ASP A 34 7.806 -3.410 8.185 1.00 0.00 C ATOM 470 O ASP A 34 8.100 -2.797 9.205 1.00 0.00 O ATOM 471 CB ASP A 34 6.529 -5.078 9.634 1.00 0.00 C ATOM 472 CG ASP A 34 5.532 -3.983 10.069 1.00 0.00 C ATOM 473 OD1 ASP A 34 4.750 -3.492 9.221 1.00 0.00 O ATOM 474 OD2 ASP A 34 5.476 -3.665 11.278 1.00 0.00 O ATOM 0 H ASP A 34 7.432 -6.484 7.144 1.00 0.00 H new ATOM 0 HA ASP A 34 6.266 -4.704 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.026 -6.045 9.612 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.333 -5.154 10.366 1.00 0.00 H new ATOM 479 N THR A 35 8.057 -2.929 6.967 1.00 0.00 N ATOM 480 CA THR A 35 8.524 -1.578 6.711 1.00 0.00 C ATOM 481 C THR A 35 9.822 -1.220 7.473 1.00 0.00 C ATOM 482 O THR A 35 9.982 -0.105 7.975 1.00 0.00 O ATOM 483 CB THR A 35 7.349 -0.596 6.891 1.00 0.00 C ATOM 484 OG1 THR A 35 6.104 -1.172 6.519 1.00 0.00 O ATOM 485 CG2 THR A 35 7.533 0.624 5.988 1.00 0.00 C ATOM 0 H THR A 35 7.937 -3.483 6.119 1.00 0.00 H new ATOM 0 HA THR A 35 8.847 -1.496 5.673 1.00 0.00 H new ATOM 0 HB THR A 35 7.342 -0.330 7.948 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.388 -0.516 6.651 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.696 1.308 6.126 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.463 1.131 6.246 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.572 0.304 4.947 1.00 0.00 H new ATOM 493 N SER A 36 10.754 -2.173 7.578 1.00 0.00 N ATOM 494 CA SER A 36 12.101 -1.913 8.060 1.00 0.00 C ATOM 495 C SER A 36 12.879 -1.156 6.973 1.00 0.00 C ATOM 496 O SER A 36 12.410 -1.009 5.841 1.00 0.00 O ATOM 497 CB SER A 36 12.790 -3.242 8.394 1.00 0.00 C ATOM 498 OG SER A 36 12.135 -3.887 9.469 1.00 0.00 O ATOM 0 H SER A 36 10.588 -3.148 7.328 1.00 0.00 H new ATOM 0 HA SER A 36 12.069 -1.305 8.964 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.786 -3.890 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.833 -3.062 8.653 1.00 0.00 H new ATOM 0 HG SER A 36 11.330 -4.337 9.139 1.00 0.00 H new ATOM 504 N ILE A 37 14.090 -0.696 7.279 1.00 0.00 N ATOM 505 CA ILE A 37 15.002 -0.160 6.280 1.00 0.00 C ATOM 506 C ILE A 37 16.428 -0.571 6.600 1.00 0.00 C ATOM 507 O ILE A 37 16.805 -0.606 7.773 1.00 0.00 O ATOM 508 CB ILE A 37 14.849 1.367 6.116 1.00 0.00 C ATOM 509 CG1 ILE A 37 15.740 1.907 4.973 1.00 0.00 C ATOM 510 CG2 ILE A 37 15.074 2.152 7.410 1.00 0.00 C ATOM 511 CD1 ILE A 37 15.347 3.307 4.487 1.00 0.00 C ATOM 0 H ILE A 37 14.464 -0.686 8.228 1.00 0.00 H new ATOM 0 HA ILE A 37 14.741 -0.588 5.312 1.00 0.00 H new ATOM 0 HB ILE A 37 13.805 1.528 5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 37 16.776 1.928 5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 37 15.694 1.215 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 37 14.950 3.217 7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.350 1.833 8.160 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.083 1.966 7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 37 16.018 3.616 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 37 14.322 3.289 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 37 15.421 4.013 5.314 1.00 0.00 H new ATOM 523 N CYS A 38 17.233 -0.820 5.565 1.00 0.00 N ATOM 524 CA CYS A 38 18.649 -1.077 5.714 1.00 0.00 C ATOM 525 C CYS A 38 19.429 -0.313 4.649 1.00 0.00 C ATOM 526 O CYS A 38 18.920 -0.061 3.550 1.00 0.00 O ATOM 527 CB CYS A 38 18.893 -2.594 5.675 1.00 0.00 C ATOM 528 SG CYS A 38 18.370 -3.417 4.155 1.00 0.00 S ATOM 0 H CYS A 38 16.909 -0.847 4.598 1.00 0.00 H new ATOM 0 HA CYS A 38 19.009 -0.717 6.678 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.957 -2.779 5.822 1.00 0.00 H new ATOM 0 HB3 CYS A 38 18.371 -3.052 6.515 1.00 0.00 H new ATOM 533 N THR A 39 20.678 0.018 4.973 1.00 0.00 N ATOM 534 CA THR A 39 21.597 0.736 4.107 1.00 0.00 C ATOM 535 C THR A 39 22.980 0.119 4.318 1.00 0.00 C ATOM 536 O THR A 39 23.594 0.317 5.367 1.00 0.00 O ATOM 537 CB THR A 39 21.568 2.243 4.443 1.00 0.00 C ATOM 538 OG1 THR A 39 20.246 2.748 4.432 1.00 0.00 O ATOM 539 CG2 THR A 39 22.399 3.071 3.457 1.00 0.00 C ATOM 0 H THR A 39 21.087 -0.217 5.878 1.00 0.00 H new ATOM 0 HA THR A 39 21.318 0.650 3.057 1.00 0.00 H new ATOM 0 HB THR A 39 21.997 2.333 5.441 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.259 3.703 4.650 1.00 0.00 H new ATOM 0 HG21 THR A 39 22.349 4.124 3.733 1.00 0.00 H new ATOM 0 HG22 THR A 39 23.436 2.738 3.486 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.004 2.941 2.449 1.00 0.00 H new ATOM 547 N ARG A 40 23.451 -0.660 3.340 1.00 0.00 N ATOM 548 CA ARG A 40 24.709 -1.413 3.381 1.00 0.00 C ATOM 549 C ARG A 40 24.909 -2.184 4.696 1.00 0.00 C ATOM 550 O ARG A 40 26.026 -2.256 5.211 1.00 0.00 O ATOM 551 CB ARG A 40 25.879 -0.491 2.971 1.00 0.00 C ATOM 552 CG ARG A 40 27.072 -1.291 2.414 1.00 0.00 C ATOM 553 CD ARG A 40 28.270 -0.427 1.981 1.00 0.00 C ATOM 554 NE ARG A 40 28.694 0.597 2.962 1.00 0.00 N ATOM 555 CZ ARG A 40 29.112 0.417 4.223 1.00 0.00 C ATOM 556 NH1 ARG A 40 29.136 -0.790 4.779 1.00 0.00 N ATOM 557 NH2 ARG A 40 29.500 1.469 4.939 1.00 0.00 N ATOM 0 H ARG A 40 22.947 -0.789 2.463 1.00 0.00 H new ATOM 0 HA ARG A 40 24.670 -2.213 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 40 25.535 0.219 2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 40 26.203 0.090 3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 40 27.405 -1.999 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 40 26.734 -1.876 1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.116 -1.083 1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.019 0.071 1.045 1.00 0.00 H new ATOM 0 HE ARG A 40 28.664 1.563 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.832 -1.604 4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 40 29.458 -0.902 5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 40 29.478 2.402 4.528 1.00 0.00 H new ATOM 0 HH22 ARG A 40 29.820 1.342 5.899 1.00 0.00 H new ATOM 571 N SER A 41 23.838 -2.771 5.237 1.00 0.00 N ATOM 572 CA SER A 41 23.913 -3.654 6.395 1.00 0.00 C ATOM 573 C SER A 41 23.799 -5.113 5.945 1.00 0.00 C ATOM 574 O SER A 41 23.287 -5.412 4.858 1.00 0.00 O ATOM 575 CB SER A 41 22.828 -3.293 7.418 1.00 0.00 C ATOM 576 OG SER A 41 23.002 -1.960 7.871 1.00 0.00 O ATOM 0 H SER A 41 22.891 -2.644 4.879 1.00 0.00 H new ATOM 0 HA SER A 41 24.879 -3.524 6.883 1.00 0.00 H new ATOM 0 HB2 SER A 41 21.842 -3.405 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.872 -3.980 8.263 1.00 0.00 H new ATOM 0 HG SER A 41 22.500 -1.349 7.292 1.00 0.00 H new ATOM 582 N GLN A 42 24.257 -6.016 6.809 1.00 0.00 N ATOM 583 CA GLN A 42 24.230 -7.460 6.623 1.00 0.00 C ATOM 584 C GLN A 42 23.300 -8.037 7.686 1.00 0.00 C ATOM 585 O GLN A 42 23.456 -7.725 8.867 1.00 0.00 O ATOM 586 CB GLN A 42 25.664 -8.005 6.776 1.00 0.00 C ATOM 587 CG GLN A 42 25.801 -9.541 6.781 1.00 0.00 C ATOM 588 CD GLN A 42 25.514 -10.201 5.432 1.00 0.00 C ATOM 589 OE1 GLN A 42 26.128 -9.867 4.423 1.00 0.00 O ATOM 590 NE2 GLN A 42 24.616 -11.170 5.379 1.00 0.00 N ATOM 0 H GLN A 42 24.676 -5.745 7.699 1.00 0.00 H new ATOM 0 HA GLN A 42 23.867 -7.738 5.634 1.00 0.00 H new ATOM 0 HB2 GLN A 42 26.272 -7.607 5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 42 26.082 -7.619 7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 42 26.812 -9.803 7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 42 25.120 -9.953 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.109 -11.442 6.221 1.00 0.00 H new ATOM 0 HE22 GLN A 42 24.430 -11.645 4.496 1.00 0.00 H new ATOM 599 N TYR A 43 22.392 -8.921 7.281 1.00 0.00 N ATOM 600 CA TYR A 43 21.575 -9.723 8.181 1.00 0.00 C ATOM 601 C TYR A 43 21.829 -11.175 7.806 1.00 0.00 C ATOM 602 O TYR A 43 21.794 -11.511 6.619 1.00 0.00 O ATOM 603 CB TYR A 43 20.085 -9.385 8.037 1.00 0.00 C ATOM 604 CG TYR A 43 19.660 -8.079 8.679 1.00 0.00 C ATOM 605 CD1 TYR A 43 19.250 -8.063 10.026 1.00 0.00 C ATOM 606 CD2 TYR A 43 19.642 -6.887 7.935 1.00 0.00 C ATOM 607 CE1 TYR A 43 18.852 -6.860 10.636 1.00 0.00 C ATOM 608 CE2 TYR A 43 19.189 -5.693 8.520 1.00 0.00 C ATOM 609 CZ TYR A 43 18.808 -5.669 9.881 1.00 0.00 C ATOM 610 OH TYR A 43 18.398 -4.503 10.457 1.00 0.00 O ATOM 0 H TYR A 43 22.201 -9.102 6.296 1.00 0.00 H new ATOM 0 HA TYR A 43 21.838 -9.524 9.220 1.00 0.00 H new ATOM 0 HB2 TYR A 43 19.837 -9.349 6.976 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.500 -10.195 8.474 1.00 0.00 H new ATOM 0 HD1 TYR A 43 19.241 -8.981 10.595 1.00 0.00 H new ATOM 0 HD2 TYR A 43 19.978 -6.889 6.909 1.00 0.00 H new ATOM 0 HE1 TYR A 43 18.580 -6.848 11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 43 19.132 -4.791 7.929 1.00 0.00 H new ATOM 0 HH TYR A 43 18.623 -4.513 11.411 1.00 0.00 H new ATOM 620 N SER A 44 22.093 -12.016 8.801 1.00 0.00 N ATOM 621 CA SER A 44 22.473 -13.398 8.602 1.00 0.00 C ATOM 622 C SER A 44 21.710 -14.244 9.620 1.00 0.00 C ATOM 623 O SER A 44 21.902 -14.100 10.831 1.00 0.00 O ATOM 624 CB SER A 44 23.989 -13.538 8.772 1.00 0.00 C ATOM 625 OG SER A 44 24.684 -12.646 7.910 1.00 0.00 O ATOM 0 H SER A 44 22.046 -11.745 9.783 1.00 0.00 H new ATOM 0 HA SER A 44 22.223 -13.738 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 44 24.262 -13.335 9.808 1.00 0.00 H new ATOM 0 HB3 SER A 44 24.289 -14.564 8.558 1.00 0.00 H new ATOM 0 HG SER A 44 25.650 -12.753 8.038 1.00 0.00 H new ATOM 631 N ASP A 45 20.843 -15.121 9.112 1.00 0.00 N ATOM 632 CA ASP A 45 19.916 -15.964 9.864 1.00 0.00 C ATOM 633 C ASP A 45 19.154 -15.184 10.952 1.00 0.00 C ATOM 634 O ASP A 45 19.005 -15.650 12.083 1.00 0.00 O ATOM 635 CB ASP A 45 20.661 -17.208 10.373 1.00 0.00 C ATOM 636 CG ASP A 45 19.703 -18.292 10.881 1.00 0.00 C ATOM 637 OD1 ASP A 45 18.691 -18.568 10.196 1.00 0.00 O ATOM 638 OD2 ASP A 45 20.018 -18.940 11.905 1.00 0.00 O ATOM 0 H ASP A 45 20.766 -15.270 8.106 1.00 0.00 H new ATOM 0 HA ASP A 45 19.124 -16.311 9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.274 -17.616 9.569 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.339 -16.920 11.176 1.00 0.00 H new ATOM 643 N ALA A 46 18.696 -13.971 10.618 1.00 0.00 N ATOM 644 CA ALA A 46 18.150 -12.982 11.545 1.00 0.00 C ATOM 645 C ALA A 46 16.761 -12.481 11.116 1.00 0.00 C ATOM 646 O ALA A 46 16.304 -12.734 10.000 1.00 0.00 O ATOM 647 CB ALA A 46 19.151 -11.821 11.626 1.00 0.00 C ATOM 0 H ALA A 46 18.698 -13.642 9.653 1.00 0.00 H new ATOM 0 HA ALA A 46 18.011 -13.443 12.523 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.774 -11.062 12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.110 -12.192 11.988 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.281 -11.383 10.636 1.00 0.00 H new ATOM 653 N ASN A 47 16.083 -11.737 11.991 1.00 0.00 N ATOM 654 CA ASN A 47 14.723 -11.233 11.767 1.00 0.00 C ATOM 655 C ASN A 47 14.666 -9.757 12.135 1.00 0.00 C ATOM 656 O ASN A 47 15.325 -9.326 13.083 1.00 0.00 O ATOM 657 CB ASN A 47 13.733 -12.038 12.618 1.00 0.00 C ATOM 658 CG ASN A 47 12.280 -11.590 12.489 1.00 0.00 C ATOM 659 OD1 ASN A 47 11.849 -11.092 11.456 1.00 0.00 O ATOM 660 ND2 ASN A 47 11.492 -11.774 13.534 1.00 0.00 N ATOM 0 H ASN A 47 16.470 -11.461 12.894 1.00 0.00 H new ATOM 0 HA ASN A 47 14.453 -11.345 10.717 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.803 -13.089 12.337 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.031 -11.967 13.664 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.511 -11.500 13.487 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.865 -12.190 14.387 1.00 0.00 H new ATOM 667 N VAL A 48 13.886 -8.987 11.389 1.00 0.00 N ATOM 668 CA VAL A 48 13.856 -7.534 11.443 1.00 0.00 C ATOM 669 C VAL A 48 12.407 -7.087 11.294 1.00 0.00 C ATOM 670 O VAL A 48 11.716 -7.536 10.375 1.00 0.00 O ATOM 671 CB VAL A 48 14.702 -6.913 10.310 1.00 0.00 C ATOM 672 CG1 VAL A 48 15.174 -5.516 10.725 1.00 0.00 C ATOM 673 CG2 VAL A 48 15.903 -7.760 9.862 1.00 0.00 C ATOM 0 H VAL A 48 13.234 -9.372 10.706 1.00 0.00 H new ATOM 0 HA VAL A 48 14.274 -7.202 12.393 1.00 0.00 H new ATOM 0 HB VAL A 48 14.043 -6.863 9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.771 -5.081 9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.309 -4.882 10.919 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.779 -5.590 11.629 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.436 -7.243 9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.575 -7.914 10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.552 -8.725 9.497 1.00 0.00 H new ATOM 683 N LYS A 49 11.960 -6.190 12.174 1.00 0.00 N ATOM 684 CA LYS A 49 10.571 -5.758 12.225 1.00 0.00 C ATOM 685 C LYS A 49 10.564 -4.260 12.467 1.00 0.00 C ATOM 686 O LYS A 49 11.043 -3.804 13.508 1.00 0.00 O ATOM 687 CB LYS A 49 9.862 -6.567 13.325 1.00 0.00 C ATOM 688 CG LYS A 49 8.331 -6.585 13.235 1.00 0.00 C ATOM 689 CD LYS A 49 7.642 -5.275 13.641 1.00 0.00 C ATOM 690 CE LYS A 49 6.152 -5.554 13.886 1.00 0.00 C ATOM 691 NZ LYS A 49 5.348 -4.310 13.941 1.00 0.00 N ATOM 0 H LYS A 49 12.556 -5.744 12.871 1.00 0.00 H new ATOM 0 HA LYS A 49 10.030 -5.940 11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.225 -7.594 13.290 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.149 -6.161 14.295 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.045 -6.826 12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.954 -7.388 13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.103 -4.870 14.542 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.762 -4.527 12.857 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.770 -6.196 13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.036 -6.100 14.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.355 -4.547 14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.715 -3.692 14.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.408 -3.817 13.027 1.00 0.00 H new ATOM 705 N LYS A 50 10.029 -3.503 11.508 1.00 0.00 N ATOM 706 CA LYS A 50 9.963 -2.040 11.489 1.00 0.00 C ATOM 707 C LYS A 50 11.188 -1.374 12.129 1.00 0.00 C ATOM 708 O LYS A 50 11.045 -0.564 13.044 1.00 0.00 O ATOM 709 CB LYS A 50 8.620 -1.602 12.105 1.00 0.00 C ATOM 710 CG LYS A 50 8.211 -0.182 11.685 1.00 0.00 C ATOM 711 CD LYS A 50 6.896 0.202 12.369 1.00 0.00 C ATOM 712 CE LYS A 50 6.490 1.629 11.970 1.00 0.00 C ATOM 713 NZ LYS A 50 5.213 2.050 12.599 1.00 0.00 N ATOM 0 H LYS A 50 9.606 -3.917 10.677 1.00 0.00 H new ATOM 0 HA LYS A 50 9.998 -1.691 10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.841 -2.304 11.806 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.691 -1.649 13.192 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.993 0.527 11.956 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.097 -0.132 10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.112 -0.500 12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.007 0.137 13.451 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.280 2.323 12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.394 1.687 10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.981 3.019 12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.452 1.405 12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.310 2.021 13.634 1.00 0.00 H new ATOM 727 N SER A 51 12.393 -1.739 11.692 1.00 0.00 N ATOM 728 CA SER A 51 13.633 -1.257 12.292 1.00 0.00 C ATOM 729 C SER A 51 14.480 -0.580 11.224 1.00 0.00 C ATOM 730 O SER A 51 14.220 -0.735 10.033 1.00 0.00 O ATOM 731 CB SER A 51 14.360 -2.423 12.960 1.00 0.00 C ATOM 732 OG SER A 51 13.587 -2.918 14.038 1.00 0.00 O ATOM 0 H SER A 51 12.535 -2.379 10.910 1.00 0.00 H new ATOM 0 HA SER A 51 13.424 -0.516 13.064 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.538 -3.216 12.234 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.336 -2.096 13.320 1.00 0.00 H new ATOM 0 HG SER A 51 12.731 -3.255 13.699 1.00 0.00 H new ATOM 738 N VAL A 52 15.483 0.181 11.639 1.00 0.00 N ATOM 739 CA VAL A 52 16.262 1.066 10.790 1.00 0.00 C ATOM 740 C VAL A 52 17.714 0.630 10.939 1.00 0.00 C ATOM 741 O VAL A 52 18.174 0.433 12.066 1.00 0.00 O ATOM 742 CB VAL A 52 16.035 2.523 11.268 1.00 0.00 C ATOM 743 CG1 VAL A 52 16.855 3.549 10.470 1.00 0.00 C ATOM 744 CG2 VAL A 52 14.553 2.936 11.217 1.00 0.00 C ATOM 0 H VAL A 52 15.786 0.198 12.613 1.00 0.00 H new ATOM 0 HA VAL A 52 15.975 1.019 9.740 1.00 0.00 H new ATOM 0 HB VAL A 52 16.375 2.528 12.304 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.654 4.550 10.850 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.917 3.327 10.575 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.576 3.498 9.417 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.450 3.965 11.562 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.189 2.859 10.193 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.969 2.277 11.860 1.00 0.00 H new ATOM 754 N THR A 53 18.459 0.503 9.842 1.00 0.00 N ATOM 755 CA THR A 53 19.881 0.202 9.975 1.00 0.00 C ATOM 756 C THR A 53 20.730 0.873 8.901 1.00 0.00 C ATOM 757 O THR A 53 20.305 1.023 7.752 1.00 0.00 O ATOM 758 CB THR A 53 20.088 -1.317 10.080 1.00 0.00 C ATOM 759 OG1 THR A 53 21.437 -1.602 10.340 1.00 0.00 O ATOM 760 CG2 THR A 53 19.759 -2.111 8.828 1.00 0.00 C ATOM 0 H THR A 53 18.118 0.600 8.886 1.00 0.00 H new ATOM 0 HA THR A 53 20.243 0.640 10.905 1.00 0.00 H new ATOM 0 HB THR A 53 19.403 -1.612 10.875 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.917 -1.714 9.493 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.940 -3.170 9.011 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.711 -1.962 8.567 1.00 0.00 H new ATOM 0 HG23 THR A 53 20.389 -1.772 8.006 1.00 0.00 H new ATOM 768 N THR A 54 21.948 1.249 9.292 1.00 0.00 N ATOM 769 CA THR A 54 22.997 1.709 8.402 1.00 0.00 C ATOM 770 C THR A 54 24.307 1.050 8.845 1.00 0.00 C ATOM 771 O THR A 54 24.695 1.159 10.013 1.00 0.00 O ATOM 772 CB THR A 54 23.084 3.247 8.443 1.00 0.00 C ATOM 773 OG1 THR A 54 21.832 3.843 8.153 1.00 0.00 O ATOM 774 CG2 THR A 54 24.101 3.792 7.432 1.00 0.00 C ATOM 0 H THR A 54 22.234 1.239 10.271 1.00 0.00 H new ATOM 0 HA THR A 54 22.788 1.430 7.369 1.00 0.00 H new ATOM 0 HB THR A 54 23.399 3.500 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.918 4.819 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 54 24.130 4.880 7.495 1.00 0.00 H new ATOM 0 HG22 THR A 54 25.089 3.389 7.656 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.808 3.495 6.425 1.00 0.00 H new ATOM 782 N ASP A 55 25.008 0.430 7.892 1.00 0.00 N ATOM 783 CA ASP A 55 26.342 -0.155 8.034 1.00 0.00 C ATOM 784 C ASP A 55 26.485 -1.010 9.299 1.00 0.00 C ATOM 785 O ASP A 55 27.289 -0.719 10.186 1.00 0.00 O ATOM 786 CB ASP A 55 27.417 0.932 7.909 1.00 0.00 C ATOM 787 CG ASP A 55 28.838 0.360 7.787 1.00 0.00 C ATOM 788 OD1 ASP A 55 29.029 -0.853 7.550 1.00 0.00 O ATOM 789 OD2 ASP A 55 29.789 1.173 7.732 1.00 0.00 O ATOM 0 H ASP A 55 24.638 0.317 6.948 1.00 0.00 H new ATOM 0 HA ASP A 55 26.491 -0.855 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.203 1.548 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.368 1.586 8.780 1.00 0.00 H new ATOM 794 N CYS A 56 25.650 -2.044 9.406 1.00 0.00 N ATOM 795 CA CYS A 56 25.502 -2.868 10.598 1.00 0.00 C ATOM 796 C CYS A 56 25.695 -4.334 10.205 1.00 0.00 C ATOM 797 O CYS A 56 25.527 -4.681 9.033 1.00 0.00 O ATOM 798 CB CYS A 56 24.093 -2.621 11.146 1.00 0.00 C ATOM 799 SG CYS A 56 23.687 -3.169 12.827 1.00 0.00 S ATOM 0 H CYS A 56 25.042 -2.337 8.641 1.00 0.00 H new ATOM 0 HA CYS A 56 26.239 -2.622 11.362 1.00 0.00 H new ATOM 0 HB2 CYS A 56 23.905 -1.548 11.097 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.388 -3.100 10.466 1.00 0.00 H new ATOM 804 N ASN A 57 25.982 -5.216 11.165 1.00 0.00 N ATOM 805 CA ASN A 57 26.008 -6.655 10.927 1.00 0.00 C ATOM 806 C ASN A 57 25.144 -7.278 11.998 1.00 0.00 C ATOM 807 O ASN A 57 25.330 -6.962 13.170 1.00 0.00 O ATOM 808 CB ASN A 57 27.427 -7.227 11.012 1.00 0.00 C ATOM 809 CG ASN A 57 27.388 -8.737 10.783 1.00 0.00 C ATOM 810 OD1 ASN A 57 27.370 -9.189 9.647 1.00 0.00 O ATOM 811 ND2 ASN A 57 27.342 -9.552 11.824 1.00 0.00 N ATOM 0 H ASN A 57 26.202 -4.951 12.125 1.00 0.00 H new ATOM 0 HA ASN A 57 25.644 -6.872 9.923 1.00 0.00 H new ATOM 0 HB2 ASN A 57 28.066 -6.753 10.267 1.00 0.00 H new ATOM 0 HB3 ASN A 57 27.860 -7.009 11.988 1.00 0.00 H new ATOM 0 HD21 ASN A 57 27.291 -10.561 11.680 1.00 0.00 H new ATOM 0 HD22 ASN A 57 27.357 -9.172 12.770 1.00 0.00 H new ATOM 818 N ILE A 58 24.210 -8.134 11.609 1.00 0.00 N ATOM 819 CA ILE A 58 23.236 -8.712 12.508 1.00 0.00 C ATOM 820 C ILE A 58 23.279 -10.212 12.262 1.00 0.00 C ATOM 821 O ILE A 58 22.905 -10.678 11.185 1.00 0.00 O ATOM 822 CB ILE A 58 21.839 -8.097 12.269 1.00 0.00 C ATOM 823 CG1 ILE A 58 21.781 -6.557 12.432 1.00 0.00 C ATOM 824 CG2 ILE A 58 20.832 -8.734 13.240 1.00 0.00 C ATOM 825 CD1 ILE A 58 22.089 -5.774 11.148 1.00 0.00 C ATOM 0 H ILE A 58 24.111 -8.448 10.644 1.00 0.00 H new ATOM 0 HA ILE A 58 23.462 -8.502 13.553 1.00 0.00 H new ATOM 0 HB ILE A 58 21.592 -8.309 11.229 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.788 -6.278 12.785 1.00 0.00 H new ATOM 0 HG13 ILE A 58 22.489 -6.258 13.205 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.845 -8.303 13.075 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.792 -9.810 13.068 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.145 -8.542 14.266 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.027 -4.705 11.350 1.00 0.00 H new ATOM 0 HD12 ILE A 58 23.093 -6.020 10.804 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.366 -6.040 10.377 1.00 0.00 H new ATOM 837 N ASP A 59 23.744 -10.964 13.253 1.00 0.00 N ATOM 838 CA ASP A 59 23.926 -12.406 13.163 1.00 0.00 C ATOM 839 C ASP A 59 23.009 -13.085 14.174 1.00 0.00 C ATOM 840 O ASP A 59 23.032 -12.730 15.353 1.00 0.00 O ATOM 841 CB ASP A 59 25.395 -12.734 13.447 1.00 0.00 C ATOM 842 CG ASP A 59 25.595 -14.227 13.736 1.00 0.00 C ATOM 843 OD1 ASP A 59 25.491 -15.041 12.793 1.00 0.00 O ATOM 844 OD2 ASP A 59 25.892 -14.570 14.901 1.00 0.00 O ATOM 0 H ASP A 59 24.010 -10.579 14.159 1.00 0.00 H new ATOM 0 HA ASP A 59 23.672 -12.768 12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 59 26.005 -12.444 12.592 1.00 0.00 H new ATOM 0 HB3 ASP A 59 25.741 -12.148 14.299 1.00 0.00 H new ATOM 849 N LYS A 60 22.203 -14.051 13.719 1.00 0.00 N ATOM 850 CA LYS A 60 21.322 -14.889 14.547 1.00 0.00 C ATOM 851 C LYS A 60 20.562 -14.095 15.620 1.00 0.00 C ATOM 852 O LYS A 60 20.477 -14.522 16.771 1.00 0.00 O ATOM 853 CB LYS A 60 22.112 -16.092 15.101 1.00 0.00 C ATOM 854 CG LYS A 60 22.429 -17.106 13.993 1.00 0.00 C ATOM 855 CD LYS A 60 23.214 -18.306 14.539 1.00 0.00 C ATOM 856 CE LYS A 60 23.415 -19.394 13.473 1.00 0.00 C ATOM 857 NZ LYS A 60 22.172 -20.153 13.177 1.00 0.00 N ATOM 0 H LYS A 60 22.143 -14.281 12.727 1.00 0.00 H new ATOM 0 HA LYS A 60 20.530 -15.283 13.911 1.00 0.00 H new ATOM 0 HB2 LYS A 60 23.040 -15.743 15.555 1.00 0.00 H new ATOM 0 HB3 LYS A 60 21.535 -16.578 15.888 1.00 0.00 H new ATOM 0 HG2 LYS A 60 21.501 -17.453 13.539 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.006 -16.619 13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 60 24.185 -17.969 14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 60 22.684 -18.728 15.393 1.00 0.00 H new ATOM 0 HE2 LYS A 60 23.780 -18.933 12.555 1.00 0.00 H new ATOM 0 HE3 LYS A 60 24.186 -20.087 13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 22.411 -21.021 12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 21.698 -20.404 14.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 21.536 -19.566 12.600 1.00 0.00 H new ATOM 871 N SER A 61 20.019 -12.936 15.248 1.00 0.00 N ATOM 872 CA SER A 61 19.371 -12.013 16.170 1.00 0.00 C ATOM 873 C SER A 61 17.970 -11.662 15.670 1.00 0.00 C ATOM 874 O SER A 61 17.643 -11.892 14.502 1.00 0.00 O ATOM 875 CB SER A 61 20.231 -10.753 16.308 1.00 0.00 C ATOM 876 OG SER A 61 21.517 -11.042 16.825 1.00 0.00 O ATOM 0 H SER A 61 20.019 -12.610 14.282 1.00 0.00 H new ATOM 0 HA SER A 61 19.270 -12.484 17.148 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.331 -10.274 15.334 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.729 -10.041 16.963 1.00 0.00 H new ATOM 0 HG SER A 61 22.039 -11.527 16.152 1.00 0.00 H new ATOM 882 N GLN A 62 17.150 -11.069 16.537 1.00 0.00 N ATOM 883 CA GLN A 62 15.838 -10.545 16.187 1.00 0.00 C ATOM 884 C GLN A 62 15.793 -9.084 16.623 1.00 0.00 C ATOM 885 O GLN A 62 16.249 -8.740 17.716 1.00 0.00 O ATOM 886 CB GLN A 62 14.713 -11.383 16.807 1.00 0.00 C ATOM 887 CG GLN A 62 14.795 -12.868 16.419 1.00 0.00 C ATOM 888 CD GLN A 62 13.430 -13.548 16.514 1.00 0.00 C ATOM 889 OE1 GLN A 62 12.604 -13.424 15.613 1.00 0.00 O ATOM 890 NE2 GLN A 62 13.159 -14.277 17.587 1.00 0.00 N ATOM 0 H GLN A 62 17.387 -10.939 17.520 1.00 0.00 H new ATOM 0 HA GLN A 62 15.678 -10.604 15.110 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.755 -11.293 17.892 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.750 -10.982 16.490 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.178 -12.959 15.403 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.503 -13.377 17.073 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.854 -14.372 18.328 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.256 -14.743 17.672 1.00 0.00 H new ATOM 899 N VAL A 63 15.248 -8.229 15.763 1.00 0.00 N ATOM 900 CA VAL A 63 15.315 -6.784 15.885 1.00 0.00 C ATOM 901 C VAL A 63 13.906 -6.231 15.659 1.00 0.00 C ATOM 902 O VAL A 63 13.268 -6.588 14.666 1.00 0.00 O ATOM 903 CB VAL A 63 16.326 -6.283 14.822 1.00 0.00 C ATOM 904 CG1 VAL A 63 16.493 -4.766 14.873 1.00 0.00 C ATOM 905 CG2 VAL A 63 17.721 -6.927 14.946 1.00 0.00 C ATOM 0 H VAL A 63 14.733 -8.536 14.938 1.00 0.00 H new ATOM 0 HA VAL A 63 15.652 -6.451 16.867 1.00 0.00 H new ATOM 0 HB VAL A 63 15.894 -6.584 13.868 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.209 -4.453 14.113 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.532 -4.288 14.685 1.00 0.00 H new ATOM 0 HG13 VAL A 63 16.857 -4.473 15.858 1.00 0.00 H new ATOM 0 HG21 VAL A 63 18.376 -6.529 14.170 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.141 -6.700 15.926 1.00 0.00 H new ATOM 0 HG23 VAL A 63 17.635 -8.007 14.829 1.00 0.00 H new ATOM 915 N TYR A 64 13.426 -5.363 16.555 1.00 0.00 N ATOM 916 CA TYR A 64 12.076 -4.807 16.518 1.00 0.00 C ATOM 917 C TYR A 64 12.149 -3.326 16.876 1.00 0.00 C ATOM 918 O TYR A 64 12.758 -2.999 17.895 1.00 0.00 O ATOM 919 CB TYR A 64 11.173 -5.522 17.541 1.00 0.00 C ATOM 920 CG TYR A 64 11.101 -7.035 17.433 1.00 0.00 C ATOM 921 CD1 TYR A 64 12.106 -7.825 18.025 1.00 0.00 C ATOM 922 CD2 TYR A 64 10.019 -7.655 16.780 1.00 0.00 C ATOM 923 CE1 TYR A 64 12.044 -9.224 17.947 1.00 0.00 C ATOM 924 CE2 TYR A 64 9.947 -9.059 16.703 1.00 0.00 C ATOM 925 CZ TYR A 64 10.962 -9.850 17.290 1.00 0.00 C ATOM 926 OH TYR A 64 10.902 -11.210 17.243 1.00 0.00 O ATOM 0 H TYR A 64 13.979 -5.022 17.341 1.00 0.00 H new ATOM 0 HA TYR A 64 11.659 -4.943 15.520 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.521 -5.267 18.542 1.00 0.00 H new ATOM 0 HB3 TYR A 64 10.163 -5.124 17.443 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.928 -7.351 18.541 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.241 -7.051 16.336 1.00 0.00 H new ATOM 0 HE1 TYR A 64 12.825 -9.824 18.390 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.118 -9.531 16.197 1.00 0.00 H new ATOM 0 HH TYR A 64 11.575 -11.546 16.615 1.00 0.00 H new ATOM 936 N LEU A 65 11.510 -2.434 16.105 1.00 0.00 N ATOM 937 CA LEU A 65 11.437 -0.986 16.370 1.00 0.00 C ATOM 938 C LEU A 65 12.795 -0.341 16.729 1.00 0.00 C ATOM 939 O LEU A 65 12.833 0.689 17.404 1.00 0.00 O ATOM 940 CB LEU A 65 10.359 -0.720 17.447 1.00 0.00 C ATOM 941 CG LEU A 65 8.913 -1.002 16.994 1.00 0.00 C ATOM 942 CD1 LEU A 65 7.982 -1.004 18.211 1.00 0.00 C ATOM 943 CD2 LEU A 65 8.419 0.046 15.990 1.00 0.00 C ATOM 0 H LEU A 65 11.015 -2.706 15.255 1.00 0.00 H new ATOM 0 HA LEU A 65 11.150 -0.497 15.439 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.578 -1.334 18.320 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.430 0.321 17.763 1.00 0.00 H new ATOM 0 HG LEU A 65 8.904 -1.977 16.506 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.960 -1.204 17.887 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.299 -1.778 18.910 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.023 -0.032 18.702 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.396 -0.187 15.694 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.448 1.033 16.451 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.062 0.038 15.110 1.00 0.00 H new ATOM 955 N THR A 66 13.913 -0.920 16.291 1.00 0.00 N ATOM 956 CA THR A 66 15.254 -0.555 16.737 1.00 0.00 C ATOM 957 C THR A 66 16.008 0.199 15.634 1.00 0.00 C ATOM 958 O THR A 66 15.626 0.144 14.464 1.00 0.00 O ATOM 959 CB THR A 66 15.922 -1.860 17.219 1.00 0.00 C ATOM 960 OG1 THR A 66 15.315 -2.238 18.442 1.00 0.00 O ATOM 961 CG2 THR A 66 17.437 -1.835 17.445 1.00 0.00 C ATOM 0 H THR A 66 13.910 -1.672 15.602 1.00 0.00 H new ATOM 0 HA THR A 66 15.247 0.150 17.568 1.00 0.00 H new ATOM 0 HB THR A 66 15.772 -2.560 16.397 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.390 -2.516 18.276 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.771 -2.816 17.782 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.940 -1.581 16.512 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.680 -1.090 18.203 1.00 0.00 H new ATOM 969 N THR A 67 17.080 0.904 16.000 1.00 0.00 N ATOM 970 CA THR A 67 17.919 1.671 15.090 1.00 0.00 C ATOM 971 C THR A 67 19.378 1.243 15.293 1.00 0.00 C ATOM 972 O THR A 67 19.865 1.262 16.424 1.00 0.00 O ATOM 973 CB THR A 67 17.703 3.174 15.349 1.00 0.00 C ATOM 974 OG1 THR A 67 16.330 3.507 15.226 1.00 0.00 O ATOM 975 CG2 THR A 67 18.487 4.052 14.366 1.00 0.00 C ATOM 0 H THR A 67 17.394 0.956 16.969 1.00 0.00 H new ATOM 0 HA THR A 67 17.655 1.480 14.050 1.00 0.00 H new ATOM 0 HB THR A 67 18.061 3.364 16.361 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.209 4.465 15.395 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.302 5.103 14.589 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.552 3.843 14.461 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.164 3.835 13.348 1.00 0.00 H new ATOM 983 N CYS A 68 20.082 0.892 14.211 1.00 0.00 N ATOM 984 CA CYS A 68 21.497 0.531 14.239 1.00 0.00 C ATOM 985 C CYS A 68 22.287 1.484 13.344 1.00 0.00 C ATOM 986 O CYS A 68 21.907 1.711 12.192 1.00 0.00 O ATOM 987 CB CYS A 68 21.705 -0.903 13.729 1.00 0.00 C ATOM 988 SG CYS A 68 23.443 -1.428 13.859 1.00 0.00 S ATOM 0 H CYS A 68 19.674 0.851 13.277 1.00 0.00 H new ATOM 0 HA CYS A 68 21.845 0.600 15.270 1.00 0.00 H new ATOM 0 HB2 CYS A 68 21.076 -1.586 14.301 1.00 0.00 H new ATOM 0 HB3 CYS A 68 21.383 -0.968 12.690 1.00 0.00 H new ATOM 993 N THR A 69 23.425 1.969 13.842 1.00 0.00 N ATOM 994 CA THR A 69 24.396 2.714 13.056 1.00 0.00 C ATOM 995 C THR A 69 25.781 2.162 13.399 1.00 0.00 C ATOM 996 O THR A 69 26.174 2.177 14.568 1.00 0.00 O ATOM 997 CB THR A 69 24.281 4.218 13.372 1.00 0.00 C ATOM 998 OG1 THR A 69 22.937 4.664 13.298 1.00 0.00 O ATOM 999 CG2 THR A 69 25.106 5.067 12.399 1.00 0.00 C ATOM 0 H THR A 69 23.698 1.851 14.818 1.00 0.00 H new ATOM 0 HA THR A 69 24.216 2.601 11.987 1.00 0.00 H new ATOM 0 HB THR A 69 24.662 4.340 14.386 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.898 5.621 13.505 1.00 0.00 H new ATOM 0 HG21 THR A 69 24.999 6.121 12.655 1.00 0.00 H new ATOM 0 HG22 THR A 69 26.156 4.782 12.467 1.00 0.00 H new ATOM 0 HG23 THR A 69 24.751 4.903 11.382 1.00 0.00 H new ATOM 1007 N GLY A 70 26.527 1.670 12.407 1.00 0.00 N ATOM 1008 CA GLY A 70 27.937 1.320 12.580 1.00 0.00 C ATOM 1009 C GLY A 70 28.190 0.312 13.705 1.00 0.00 C ATOM 1010 O GLY A 70 29.188 0.451 14.414 1.00 0.00 O ATOM 0 H GLY A 70 26.172 1.504 11.465 1.00 0.00 H new ATOM 0 HA2 GLY A 70 28.317 0.909 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.505 2.228 12.784 1.00 0.00 H new ATOM 1014 N SER A 71 27.283 -0.647 13.920 1.00 0.00 N ATOM 1015 CA SER A 71 27.300 -1.536 15.079 1.00 0.00 C ATOM 1016 C SER A 71 27.133 -3.005 14.659 1.00 0.00 C ATOM 1017 O SER A 71 26.934 -3.310 13.481 1.00 0.00 O ATOM 1018 CB SER A 71 26.239 -1.084 16.099 1.00 0.00 C ATOM 1019 OG SER A 71 26.463 0.251 16.521 1.00 0.00 O ATOM 0 H SER A 71 26.507 -0.827 13.283 1.00 0.00 H new ATOM 0 HA SER A 71 28.273 -1.472 15.565 1.00 0.00 H new ATOM 0 HB2 SER A 71 25.247 -1.165 15.655 1.00 0.00 H new ATOM 0 HB3 SER A 71 26.257 -1.748 16.963 1.00 0.00 H new ATOM 0 HG SER A 71 26.324 0.860 15.766 1.00 0.00 H new ATOM 1025 N GLN A 72 27.244 -3.927 15.614 1.00 0.00 N ATOM 1026 CA GLN A 72 27.324 -5.364 15.373 1.00 0.00 C ATOM 1027 C GLN A 72 26.390 -6.043 16.379 1.00 0.00 C ATOM 1028 O GLN A 72 26.496 -5.747 17.569 1.00 0.00 O ATOM 1029 CB GLN A 72 28.803 -5.772 15.575 1.00 0.00 C ATOM 1030 CG GLN A 72 29.256 -7.089 14.932 1.00 0.00 C ATOM 1031 CD GLN A 72 28.438 -8.306 15.353 1.00 0.00 C ATOM 1032 OE1 GLN A 72 27.782 -8.921 14.523 1.00 0.00 O ATOM 1033 NE2 GLN A 72 28.436 -8.671 16.626 1.00 0.00 N ATOM 0 H GLN A 72 27.282 -3.686 16.605 1.00 0.00 H new ATOM 0 HA GLN A 72 27.017 -5.657 14.369 1.00 0.00 H new ATOM 0 HB2 GLN A 72 29.432 -4.971 15.186 1.00 0.00 H new ATOM 0 HB3 GLN A 72 28.994 -5.835 16.646 1.00 0.00 H new ATOM 0 HG2 GLN A 72 29.204 -6.988 13.848 1.00 0.00 H new ATOM 0 HG3 GLN A 72 30.302 -7.263 15.186 1.00 0.00 H new ATOM 0 HE21 GLN A 72 28.988 -8.149 17.307 1.00 0.00 H new ATOM 0 HE22 GLN A 72 27.883 -9.474 16.925 1.00 0.00 H new ATOM 1042 N TYR A 73 25.512 -6.951 15.942 1.00 0.00 N ATOM 1043 CA TYR A 73 24.645 -7.734 16.818 1.00 0.00 C ATOM 1044 C TYR A 73 24.951 -9.203 16.553 1.00 0.00 C ATOM 1045 O TYR A 73 24.959 -9.619 15.396 1.00 0.00 O ATOM 1046 CB TYR A 73 23.156 -7.499 16.500 1.00 0.00 C ATOM 1047 CG TYR A 73 22.560 -6.103 16.604 1.00 0.00 C ATOM 1048 CD1 TYR A 73 23.193 -5.066 17.315 1.00 0.00 C ATOM 1049 CD2 TYR A 73 21.313 -5.857 15.992 1.00 0.00 C ATOM 1050 CE1 TYR A 73 22.618 -3.787 17.362 1.00 0.00 C ATOM 1051 CE2 TYR A 73 20.718 -4.588 16.055 1.00 0.00 C ATOM 1052 CZ TYR A 73 21.376 -3.539 16.732 1.00 0.00 C ATOM 1053 OH TYR A 73 20.805 -2.305 16.774 1.00 0.00 O ATOM 0 H TYR A 73 25.384 -7.164 14.953 1.00 0.00 H new ATOM 0 HA TYR A 73 24.826 -7.443 17.853 1.00 0.00 H new ATOM 0 HB2 TYR A 73 22.984 -7.848 15.482 1.00 0.00 H new ATOM 0 HB3 TYR A 73 22.579 -8.146 17.160 1.00 0.00 H new ATOM 0 HD1 TYR A 73 24.125 -5.256 17.826 1.00 0.00 H new ATOM 0 HD2 TYR A 73 20.810 -6.656 15.468 1.00 0.00 H new ATOM 0 HE1 TYR A 73 23.126 -2.988 17.882 1.00 0.00 H new ATOM 0 HE2 TYR A 73 19.760 -4.415 15.587 1.00 0.00 H new ATOM 0 HH TYR A 73 21.380 -1.695 17.282 1.00 0.00 H new ATOM 1063 N ASN A 74 25.144 -10.004 17.597 1.00 0.00 N ATOM 1064 CA ASN A 74 25.242 -11.456 17.502 1.00 0.00 C ATOM 1065 C ASN A 74 24.366 -12.056 18.598 1.00 0.00 C ATOM 1066 O ASN A 74 24.585 -11.761 19.771 1.00 0.00 O ATOM 1067 CB ASN A 74 26.708 -11.908 17.678 1.00 0.00 C ATOM 1068 CG ASN A 74 26.820 -13.290 18.332 1.00 0.00 C ATOM 1069 OD1 ASN A 74 27.137 -13.400 19.514 1.00 0.00 O ATOM 1070 ND2 ASN A 74 26.545 -14.362 17.609 1.00 0.00 N ATOM 0 H ASN A 74 25.238 -9.655 18.551 1.00 0.00 H new ATOM 0 HA ASN A 74 24.905 -11.794 16.522 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.198 -11.929 16.705 1.00 0.00 H new ATOM 0 HB3 ASN A 74 27.240 -11.177 18.287 1.00 0.00 H new ATOM 0 HD21 ASN A 74 26.595 -15.289 18.032 1.00 0.00 H new ATOM 0 HD22 ASN A 74 26.283 -14.262 16.628 1.00 0.00 H new ATOM 1077 N GLY A 75 23.428 -12.932 18.243 1.00 0.00 N ATOM 1078 CA GLY A 75 22.666 -13.712 19.209 1.00 0.00 C ATOM 1079 C GLY A 75 21.832 -12.862 20.171 1.00 0.00 C ATOM 1080 O GLY A 75 21.781 -13.190 21.363 1.00 0.00 O ATOM 0 H GLY A 75 23.176 -13.120 17.273 1.00 0.00 H new ATOM 0 HA2 GLY A 75 22.004 -14.391 18.672 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.354 -14.329 19.787 1.00 0.00 H new ATOM 1084 N ILE A 76 21.204 -11.778 19.697 1.00 0.00 N ATOM 1085 CA ILE A 76 20.456 -10.854 20.552 1.00 0.00 C ATOM 1086 C ILE A 76 18.980 -10.780 20.149 1.00 0.00 C ATOM 1087 O ILE A 76 18.599 -11.101 19.024 1.00 0.00 O ATOM 1088 CB ILE A 76 21.119 -9.447 20.626 1.00 0.00 C ATOM 1089 CG1 ILE A 76 20.675 -8.466 19.516 1.00 0.00 C ATOM 1090 CG2 ILE A 76 22.657 -9.525 20.663 1.00 0.00 C ATOM 1091 CD1 ILE A 76 21.278 -7.062 19.664 1.00 0.00 C ATOM 0 H ILE A 76 21.202 -11.519 18.710 1.00 0.00 H new ATOM 0 HA ILE A 76 20.490 -11.260 21.563 1.00 0.00 H new ATOM 0 HB ILE A 76 20.756 -9.040 21.570 1.00 0.00 H new ATOM 0 HG12 ILE A 76 20.959 -8.874 18.546 1.00 0.00 H new ATOM 0 HG13 ILE A 76 19.588 -8.389 19.524 1.00 0.00 H new ATOM 0 HG21 ILE A 76 23.071 -8.518 20.714 1.00 0.00 H new ATOM 0 HG22 ILE A 76 22.972 -10.092 21.539 1.00 0.00 H new ATOM 0 HG23 ILE A 76 23.018 -10.020 19.762 1.00 0.00 H new ATOM 0 HD11 ILE A 76 20.924 -6.427 18.852 1.00 0.00 H new ATOM 0 HD12 ILE A 76 20.973 -6.634 20.619 1.00 0.00 H new ATOM 0 HD13 ILE A 76 22.365 -7.127 19.626 1.00 0.00 H new ATOM 1103 N TYR A 77 18.159 -10.280 21.063 1.00 0.00 N ATOM 1104 CA TYR A 77 16.776 -9.905 20.859 1.00 0.00 C ATOM 1105 C TYR A 77 16.744 -8.452 21.309 1.00 0.00 C ATOM 1106 O TYR A 77 17.065 -8.176 22.467 1.00 0.00 O ATOM 1107 CB TYR A 77 15.864 -10.809 21.702 1.00 0.00 C ATOM 1108 CG TYR A 77 14.379 -10.511 21.580 1.00 0.00 C ATOM 1109 CD1 TYR A 77 13.811 -9.417 22.264 1.00 0.00 C ATOM 1110 CD2 TYR A 77 13.555 -11.351 20.805 1.00 0.00 C ATOM 1111 CE1 TYR A 77 12.433 -9.154 22.168 1.00 0.00 C ATOM 1112 CE2 TYR A 77 12.175 -11.104 20.715 1.00 0.00 C ATOM 1113 CZ TYR A 77 11.606 -10.000 21.391 1.00 0.00 C ATOM 1114 OH TYR A 77 10.265 -9.773 21.296 1.00 0.00 O ATOM 0 H TYR A 77 18.464 -10.118 22.023 1.00 0.00 H new ATOM 0 HA TYR A 77 16.422 -10.017 19.834 1.00 0.00 H new ATOM 0 HB2 TYR A 77 16.037 -11.846 21.413 1.00 0.00 H new ATOM 0 HB3 TYR A 77 16.153 -10.718 22.749 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.439 -8.776 22.866 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.986 -12.189 20.278 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.006 -8.308 22.686 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.547 -11.759 20.128 1.00 0.00 H new ATOM 0 HH TYR A 77 9.858 -10.453 20.720 1.00 0.00 H new ATOM 1124 N ILE A 78 16.437 -7.515 20.414 1.00 0.00 N ATOM 1125 CA ILE A 78 16.537 -6.091 20.708 1.00 0.00 C ATOM 1126 C ILE A 78 15.253 -5.400 20.261 1.00 0.00 C ATOM 1127 O ILE A 78 14.768 -5.630 19.149 1.00 0.00 O ATOM 1128 CB ILE A 78 17.842 -5.504 20.124 1.00 0.00 C ATOM 1129 CG1 ILE A 78 17.984 -4.024 20.536 1.00 0.00 C ATOM 1130 CG2 ILE A 78 17.957 -5.686 18.600 1.00 0.00 C ATOM 1131 CD1 ILE A 78 19.400 -3.463 20.342 1.00 0.00 C ATOM 0 H ILE A 78 16.113 -7.722 19.469 1.00 0.00 H new ATOM 0 HA ILE A 78 16.618 -5.914 21.780 1.00 0.00 H new ATOM 0 HB ILE A 78 18.672 -6.069 20.547 1.00 0.00 H new ATOM 0 HG12 ILE A 78 17.283 -3.425 19.955 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.701 -3.919 21.583 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.895 -5.253 18.252 1.00 0.00 H new ATOM 0 HG22 ILE A 78 17.936 -6.749 18.358 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.122 -5.186 18.110 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.423 -2.418 20.653 1.00 0.00 H new ATOM 0 HD12 ILE A 78 20.104 -4.036 20.945 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.679 -3.535 19.291 1.00 0.00 H new ATOM 1143 N ARG A 79 14.685 -4.584 21.151 1.00 0.00 N ATOM 1144 CA ARG A 79 13.362 -4.008 20.988 1.00 0.00 C ATOM 1145 C ARG A 79 13.428 -2.524 21.308 1.00 0.00 C ATOM 1146 O ARG A 79 13.937 -2.145 22.366 1.00 0.00 O ATOM 1147 CB ARG A 79 12.414 -4.781 21.917 1.00 0.00 C ATOM 1148 CG ARG A 79 10.995 -4.199 21.991 1.00 0.00 C ATOM 1149 CD ARG A 79 10.048 -5.138 22.749 1.00 0.00 C ATOM 1150 NE ARG A 79 10.518 -5.430 24.115 1.00 0.00 N ATOM 1151 CZ ARG A 79 9.839 -6.083 25.066 1.00 0.00 C ATOM 1152 NH1 ARG A 79 8.594 -6.503 24.857 1.00 0.00 N ATOM 1153 NH2 ARG A 79 10.437 -6.305 26.229 1.00 0.00 N ATOM 0 H ARG A 79 15.145 -4.304 22.018 1.00 0.00 H new ATOM 0 HA ARG A 79 12.991 -4.092 19.967 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.354 -5.815 21.578 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.840 -4.799 22.920 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.023 -3.229 22.487 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.615 -4.031 20.983 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.057 -4.687 22.798 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.947 -6.072 22.195 1.00 0.00 H new ATOM 0 HE ARG A 79 11.452 -5.102 24.360 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.141 -6.329 23.960 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.093 -6.999 25.594 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.392 -5.980 26.382 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.942 -6.800 26.971 1.00 0.00 H new ATOM 1167 N SER A 80 12.878 -1.693 20.427 1.00 0.00 N ATOM 1168 CA SER A 80 12.660 -0.270 20.652 1.00 0.00 C ATOM 1169 C SER A 80 13.927 0.478 21.111 1.00 0.00 C ATOM 1170 O SER A 80 13.830 1.423 21.897 1.00 0.00 O ATOM 1171 CB SER A 80 11.477 -0.119 21.617 1.00 0.00 C ATOM 1172 OG SER A 80 10.343 -0.823 21.130 1.00 0.00 O ATOM 0 H SER A 80 12.562 -2.003 19.508 1.00 0.00 H new ATOM 0 HA SER A 80 12.414 0.211 19.705 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.752 -0.498 22.601 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.232 0.936 21.739 1.00 0.00 H new ATOM 0 HG SER A 80 9.598 -0.718 21.758 1.00 0.00 H new ATOM 1178 N SER A 81 15.112 0.055 20.656 1.00 0.00 N ATOM 1179 CA SER A 81 16.398 0.526 21.167 1.00 0.00 C ATOM 1180 C SER A 81 17.227 1.194 20.063 1.00 0.00 C ATOM 1181 O SER A 81 16.846 1.181 18.891 1.00 0.00 O ATOM 1182 CB SER A 81 17.137 -0.666 21.787 1.00 0.00 C ATOM 1183 OG SER A 81 16.426 -1.177 22.902 1.00 0.00 O ATOM 0 H SER A 81 15.202 -0.635 19.910 1.00 0.00 H new ATOM 0 HA SER A 81 16.234 1.287 21.930 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.262 -1.450 21.040 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.136 -0.359 22.097 1.00 0.00 H new ATOM 0 HG SER A 81 15.560 -1.527 22.605 1.00 0.00 H new ATOM 1189 N THR A 82 18.376 1.769 20.419 1.00 0.00 N ATOM 1190 CA THR A 82 19.293 2.404 19.479 1.00 0.00 C ATOM 1191 C THR A 82 20.718 1.972 19.822 1.00 0.00 C ATOM 1192 O THR A 82 21.079 1.920 20.999 1.00 0.00 O ATOM 1193 CB THR A 82 19.119 3.935 19.546 1.00 0.00 C ATOM 1194 OG1 THR A 82 17.777 4.302 19.272 1.00 0.00 O ATOM 1195 CG2 THR A 82 20.012 4.679 18.545 1.00 0.00 C ATOM 0 H THR A 82 18.699 1.806 21.386 1.00 0.00 H new ATOM 0 HA THR A 82 19.079 2.096 18.456 1.00 0.00 H new ATOM 0 HB THR A 82 19.405 4.218 20.559 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.688 5.277 19.321 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.847 5.752 18.638 1.00 0.00 H new ATOM 0 HG22 THR A 82 21.058 4.454 18.753 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.767 4.360 17.532 1.00 0.00 H new ATOM 1203 N THR A 83 21.546 1.704 18.813 1.00 0.00 N ATOM 1204 CA THR A 83 22.948 1.363 19.000 1.00 0.00 C ATOM 1205 C THR A 83 23.786 2.182 18.017 1.00 0.00 C ATOM 1206 O THR A 83 23.378 2.396 16.869 1.00 0.00 O ATOM 1207 CB THR A 83 23.150 -0.152 18.833 1.00 0.00 C ATOM 1208 OG1 THR A 83 22.681 -0.569 17.568 1.00 0.00 O ATOM 1209 CG2 THR A 83 22.396 -0.961 19.896 1.00 0.00 C ATOM 0 H THR A 83 21.256 1.719 17.835 1.00 0.00 H new ATOM 0 HA THR A 83 23.274 1.610 20.010 1.00 0.00 H new ATOM 0 HB THR A 83 24.219 -0.334 18.939 1.00 0.00 H new ATOM 0 HG1 THR A 83 23.370 -1.108 17.125 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.570 -2.025 19.735 1.00 0.00 H new ATOM 0 HG22 THR A 83 22.752 -0.681 20.887 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.329 -0.753 19.822 1.00 0.00 H new ATOM 1217 N THR A 84 24.949 2.665 18.450 1.00 0.00 N ATOM 1218 CA THR A 84 25.845 3.455 17.623 1.00 0.00 C ATOM 1219 C THR A 84 27.288 3.113 18.003 1.00 0.00 C ATOM 1220 O THR A 84 27.668 3.204 19.172 1.00 0.00 O ATOM 1221 CB THR A 84 25.508 4.948 17.794 1.00 0.00 C ATOM 1222 OG1 THR A 84 24.148 5.183 17.463 1.00 0.00 O ATOM 1223 CG2 THR A 84 26.364 5.852 16.900 1.00 0.00 C ATOM 0 H THR A 84 25.295 2.514 19.397 1.00 0.00 H new ATOM 0 HA THR A 84 25.723 3.224 16.565 1.00 0.00 H new ATOM 0 HB THR A 84 25.712 5.189 18.837 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.943 6.135 17.577 1.00 0.00 H new ATOM 0 HG21 THR A 84 26.084 6.893 17.061 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.417 5.717 17.147 1.00 0.00 H new ATOM 0 HG23 THR A 84 26.200 5.590 15.855 1.00 0.00 H new ATOM 1231 N GLY A 85 28.098 2.730 17.012 1.00 0.00 N ATOM 1232 CA GLY A 85 29.507 2.414 17.203 1.00 0.00 C ATOM 1233 C GLY A 85 29.735 1.393 18.314 1.00 0.00 C ATOM 1234 O GLY A 85 30.583 1.625 19.173 1.00 0.00 O ATOM 0 H GLY A 85 27.786 2.631 16.046 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.919 2.028 16.270 1.00 0.00 H new ATOM 0 HA3 GLY A 85 30.052 3.328 17.438 1.00 0.00 H new ATOM 1238 N THR A 86 28.997 0.286 18.360 1.00 0.00 N ATOM 1239 CA THR A 86 29.122 -0.683 19.447 1.00 0.00 C ATOM 1240 C THR A 86 28.926 -2.105 18.912 1.00 0.00 C ATOM 1241 O THR A 86 28.449 -2.300 17.794 1.00 0.00 O ATOM 1242 CB THR A 86 28.158 -0.250 20.573 1.00 0.00 C ATOM 1243 OG1 THR A 86 28.340 -0.963 21.783 1.00 0.00 O ATOM 1244 CG2 THR A 86 26.679 -0.337 20.186 1.00 0.00 C ATOM 0 H THR A 86 28.304 0.037 17.654 1.00 0.00 H new ATOM 0 HA THR A 86 30.122 -0.701 19.881 1.00 0.00 H new ATOM 0 HB THR A 86 28.423 0.795 20.732 1.00 0.00 H new ATOM 0 HG1 THR A 86 29.236 -1.361 21.797 1.00 0.00 H new ATOM 0 HG21 THR A 86 26.063 -0.017 21.027 1.00 0.00 H new ATOM 0 HG22 THR A 86 26.488 0.310 19.330 1.00 0.00 H new ATOM 0 HG23 THR A 86 26.431 -1.366 19.925 1.00 0.00 H new ATOM 1252 N SER A 87 29.286 -3.109 19.703 1.00 0.00 N ATOM 1253 CA SER A 87 29.134 -4.508 19.351 1.00 0.00 C ATOM 1254 C SER A 87 28.436 -5.182 20.520 1.00 0.00 C ATOM 1255 O SER A 87 28.827 -4.958 21.665 1.00 0.00 O ATOM 1256 CB SER A 87 30.508 -5.132 19.086 1.00 0.00 C ATOM 1257 OG SER A 87 31.179 -4.453 18.037 1.00 0.00 O ATOM 0 H SER A 87 29.700 -2.966 20.624 1.00 0.00 H new ATOM 0 HA SER A 87 28.546 -4.631 18.441 1.00 0.00 H new ATOM 0 HB2 SER A 87 31.111 -5.093 19.994 1.00 0.00 H new ATOM 0 HB3 SER A 87 30.390 -6.184 18.827 1.00 0.00 H new ATOM 0 HG SER A 87 32.054 -4.867 17.886 1.00 0.00 H new ATOM 1263 N ILE A 88 27.417 -5.988 20.235 1.00 0.00 N ATOM 1264 CA ILE A 88 26.580 -6.660 21.213 1.00 0.00 C ATOM 1265 C ILE A 88 26.591 -8.140 20.821 1.00 0.00 C ATOM 1266 O ILE A 88 26.438 -8.470 19.640 1.00 0.00 O ATOM 1267 CB ILE A 88 25.134 -6.104 21.187 1.00 0.00 C ATOM 1268 CG1 ILE A 88 24.957 -4.578 20.977 1.00 0.00 C ATOM 1269 CG2 ILE A 88 24.396 -6.556 22.457 1.00 0.00 C ATOM 1270 CD1 ILE A 88 25.503 -3.660 22.079 1.00 0.00 C ATOM 0 H ILE A 88 27.144 -6.197 19.275 1.00 0.00 H new ATOM 0 HA ILE A 88 26.954 -6.505 22.225 1.00 0.00 H new ATOM 0 HB ILE A 88 24.700 -6.528 20.281 1.00 0.00 H new ATOM 0 HG12 ILE A 88 25.440 -4.306 20.038 1.00 0.00 H new ATOM 0 HG13 ILE A 88 23.893 -4.372 20.860 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.378 -6.167 22.444 1.00 0.00 H new ATOM 0 HG22 ILE A 88 24.368 -7.645 22.494 1.00 0.00 H new ATOM 0 HG23 ILE A 88 24.918 -6.177 23.336 1.00 0.00 H new ATOM 0 HD11 ILE A 88 25.316 -2.620 21.812 1.00 0.00 H new ATOM 0 HD12 ILE A 88 25.005 -3.887 23.022 1.00 0.00 H new ATOM 0 HD13 ILE A 88 26.576 -3.820 22.187 1.00 0.00 H new ATOM 1282 N SER A 89 26.739 -9.025 21.803 1.00 0.00 N ATOM 1283 CA SER A 89 26.953 -10.448 21.601 1.00 0.00 C ATOM 1284 C SER A 89 26.125 -11.258 22.602 1.00 0.00 C ATOM 1285 O SER A 89 25.661 -10.737 23.624 1.00 0.00 O ATOM 1286 CB SER A 89 28.450 -10.757 21.741 1.00 0.00 C ATOM 1287 OG SER A 89 29.228 -9.972 20.846 1.00 0.00 O ATOM 0 H SER A 89 26.712 -8.761 22.788 1.00 0.00 H new ATOM 0 HA SER A 89 26.628 -10.730 20.600 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.768 -10.566 22.766 1.00 0.00 H new ATOM 0 HB3 SER A 89 28.625 -11.815 21.545 1.00 0.00 H new ATOM 0 HG SER A 89 30.177 -10.190 20.960 1.00 0.00 H new ATOM 1321 N CYS A 93 21.053 -12.860 24.572 1.00 0.00 N ATOM 1322 CA CYS A 93 21.019 -11.453 24.927 1.00 0.00 C ATOM 1323 C CYS A 93 19.634 -10.889 24.626 1.00 0.00 C ATOM 1324 O CYS A 93 19.044 -11.202 23.590 1.00 0.00 O ATOM 1325 CB CYS A 93 22.125 -10.738 24.143 1.00 0.00 C ATOM 1326 SG CYS A 93 22.117 -8.926 24.167 1.00 0.00 S ATOM 0 HA CYS A 93 21.201 -11.304 25.991 1.00 0.00 H new ATOM 0 HB2 CYS A 93 23.086 -11.077 24.529 1.00 0.00 H new ATOM 0 HB3 CYS A 93 22.067 -11.063 23.104 1.00 0.00 H new ATOM 1331 N SER A 94 19.150 -10.020 25.504 1.00 0.00 N ATOM 1332 CA SER A 94 17.828 -9.427 25.465 1.00 0.00 C ATOM 1333 C SER A 94 17.975 -7.960 25.867 1.00 0.00 C ATOM 1334 O SER A 94 18.582 -7.671 26.899 1.00 0.00 O ATOM 1335 CB SER A 94 16.937 -10.184 26.455 1.00 0.00 C ATOM 1336 OG SER A 94 16.720 -11.520 26.027 1.00 0.00 O ATOM 0 H SER A 94 19.699 -9.696 26.300 1.00 0.00 H new ATOM 0 HA SER A 94 17.377 -9.487 24.475 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.402 -10.185 27.441 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.981 -9.671 26.555 1.00 0.00 H new ATOM 0 HG SER A 94 16.150 -11.983 26.676 1.00 0.00 H new ATOM 1342 N ILE A 95 17.454 -7.043 25.049 1.00 0.00 N ATOM 1343 CA ILE A 95 17.574 -5.597 25.213 1.00 0.00 C ATOM 1344 C ILE A 95 16.209 -4.989 24.886 1.00 0.00 C ATOM 1345 O ILE A 95 15.608 -5.328 23.862 1.00 0.00 O ATOM 1346 CB ILE A 95 18.694 -5.050 24.285 1.00 0.00 C ATOM 1347 CG1 ILE A 95 20.063 -5.637 24.687 1.00 0.00 C ATOM 1348 CG2 ILE A 95 18.765 -3.511 24.323 1.00 0.00 C ATOM 1349 CD1 ILE A 95 21.263 -5.163 23.864 1.00 0.00 C ATOM 0 H ILE A 95 16.916 -7.300 24.222 1.00 0.00 H new ATOM 0 HA ILE A 95 17.854 -5.331 26.232 1.00 0.00 H new ATOM 0 HB ILE A 95 18.449 -5.357 23.268 1.00 0.00 H new ATOM 0 HG12 ILE A 95 20.247 -5.395 25.734 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.005 -6.723 24.617 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.560 -3.167 23.661 1.00 0.00 H new ATOM 0 HG22 ILE A 95 17.813 -3.095 23.993 1.00 0.00 H new ATOM 0 HG23 ILE A 95 18.972 -3.181 25.341 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.170 -5.640 24.235 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.115 -5.430 22.818 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.360 -4.081 23.952 1.00 0.00 H new ATOM 1361 N SER A 96 15.733 -4.063 25.719 1.00 0.00 N ATOM 1362 CA SER A 96 14.540 -3.275 25.455 1.00 0.00 C ATOM 1363 C SER A 96 14.773 -1.826 25.882 1.00 0.00 C ATOM 1364 O SER A 96 15.334 -1.574 26.953 1.00 0.00 O ATOM 1365 CB SER A 96 13.337 -3.870 26.193 1.00 0.00 C ATOM 1366 OG SER A 96 13.007 -5.149 25.674 1.00 0.00 O ATOM 0 H SER A 96 16.177 -3.840 26.610 1.00 0.00 H new ATOM 0 HA SER A 96 14.327 -3.295 24.386 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.562 -3.951 27.257 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.481 -3.203 26.098 1.00 0.00 H new ATOM 0 HG SER A 96 13.373 -5.844 26.260 1.00 0.00 H new ATOM 1372 N THR A 97 14.300 -0.900 25.042 1.00 0.00 N ATOM 1373 CA THR A 97 14.283 0.548 25.258 1.00 0.00 C ATOM 1374 C THR A 97 15.617 1.135 25.772 1.00 0.00 C ATOM 1375 O THR A 97 15.627 2.078 26.566 1.00 0.00 O ATOM 1376 CB THR A 97 13.008 0.953 26.041 1.00 0.00 C ATOM 1377 OG1 THR A 97 12.698 0.071 27.104 1.00 0.00 O ATOM 1378 CG2 THR A 97 11.775 0.936 25.135 1.00 0.00 C ATOM 0 H THR A 97 13.896 -1.157 24.142 1.00 0.00 H new ATOM 0 HA THR A 97 14.209 1.037 24.287 1.00 0.00 H new ATOM 0 HB THR A 97 13.233 1.948 26.426 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.240 0.300 27.888 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.896 1.224 25.711 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.917 1.639 24.314 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.633 -0.067 24.733 1.00 0.00 H new ATOM 1386 N CYS A 98 16.753 0.603 25.303 1.00 0.00 N ATOM 1387 CA CYS A 98 18.088 1.098 25.632 1.00 0.00 C ATOM 1388 C CYS A 98 18.644 1.966 24.500 1.00 0.00 C ATOM 1389 O CYS A 98 18.213 1.872 23.350 1.00 0.00 O ATOM 1390 CB CYS A 98 19.041 -0.090 25.831 1.00 0.00 C ATOM 1391 SG CYS A 98 18.712 -1.147 27.262 1.00 0.00 S ATOM 0 H CYS A 98 16.766 -0.199 24.673 1.00 0.00 H new ATOM 0 HA CYS A 98 18.012 1.693 26.542 1.00 0.00 H new ATOM 0 HB2 CYS A 98 19.010 -0.708 24.934 1.00 0.00 H new ATOM 0 HB3 CYS A 98 20.057 0.296 25.917 1.00 0.00 H new ATOM 1396 N THR A 99 19.670 2.752 24.812 1.00 0.00 N ATOM 1397 CA THR A 99 20.481 3.473 23.846 1.00 0.00 C ATOM 1398 C THR A 99 21.918 3.118 24.225 1.00 0.00 C ATOM 1399 O THR A 99 22.257 3.141 25.409 1.00 0.00 O ATOM 1400 CB THR A 99 20.172 4.978 23.911 1.00 0.00 C ATOM 1401 OG1 THR A 99 18.809 5.210 23.603 1.00 0.00 O ATOM 1402 CG2 THR A 99 21.024 5.789 22.928 1.00 0.00 C ATOM 0 H THR A 99 19.966 2.907 25.776 1.00 0.00 H new ATOM 0 HA THR A 99 20.284 3.201 22.809 1.00 0.00 H new ATOM 0 HB THR A 99 20.404 5.300 24.926 1.00 0.00 H new ATOM 0 HG1 THR A 99 18.622 6.171 23.649 1.00 0.00 H new ATOM 0 HG21 THR A 99 20.769 6.846 23.011 1.00 0.00 H new ATOM 0 HG22 THR A 99 22.080 5.651 23.162 1.00 0.00 H new ATOM 0 HG23 THR A 99 20.830 5.448 21.911 1.00 0.00 H new ATOM 1410 N ILE A 100 22.749 2.719 23.262 1.00 0.00 N ATOM 1411 CA ILE A 100 24.088 2.206 23.534 1.00 0.00 C ATOM 1412 C ILE A 100 25.031 2.868 22.537 1.00 0.00 C ATOM 1413 O ILE A 100 24.816 2.773 21.328 1.00 0.00 O ATOM 1414 CB ILE A 100 24.133 0.656 23.454 1.00 0.00 C ATOM 1415 CG1 ILE A 100 22.974 -0.010 24.240 1.00 0.00 C ATOM 1416 CG2 ILE A 100 25.499 0.146 23.954 1.00 0.00 C ATOM 1417 CD1 ILE A 100 22.978 -1.543 24.229 1.00 0.00 C ATOM 0 H ILE A 100 22.511 2.743 22.271 1.00 0.00 H new ATOM 0 HA ILE A 100 24.395 2.448 24.551 1.00 0.00 H new ATOM 0 HB ILE A 100 24.003 0.374 22.409 1.00 0.00 H new ATOM 0 HG12 ILE A 100 23.014 0.331 25.275 1.00 0.00 H new ATOM 0 HG13 ILE A 100 22.028 0.338 23.826 1.00 0.00 H new ATOM 0 HG21 ILE A 100 25.525 -0.942 23.896 1.00 0.00 H new ATOM 0 HG22 ILE A 100 26.292 0.562 23.333 1.00 0.00 H new ATOM 0 HG23 ILE A 100 25.647 0.457 24.988 1.00 0.00 H new ATOM 0 HD11 ILE A 100 22.130 -1.913 24.805 1.00 0.00 H new ATOM 0 HD12 ILE A 100 22.903 -1.900 23.202 1.00 0.00 H new ATOM 0 HD13 ILE A 100 23.905 -1.908 24.673 1.00 0.00 H new ATOM 1429 N THR A 101 26.083 3.505 23.040 1.00 0.00 N ATOM 1430 CA THR A 101 27.026 4.254 22.228 1.00 0.00 C ATOM 1431 C THR A 101 28.425 3.873 22.699 1.00 0.00 C ATOM 1432 O THR A 101 28.692 3.938 23.900 1.00 0.00 O ATOM 1433 CB THR A 101 26.741 5.763 22.358 1.00 0.00 C ATOM 1434 OG1 THR A 101 25.368 6.031 22.119 1.00 0.00 O ATOM 1435 CG2 THR A 101 27.572 6.580 21.361 1.00 0.00 C ATOM 0 H THR A 101 26.305 3.514 24.036 1.00 0.00 H new ATOM 0 HA THR A 101 26.933 4.016 21.168 1.00 0.00 H new ATOM 0 HB THR A 101 27.012 6.053 23.373 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.202 6.993 22.207 1.00 0.00 H new ATOM 0 HG21 THR A 101 27.346 7.639 21.481 1.00 0.00 H new ATOM 0 HG22 THR A 101 28.633 6.412 21.548 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.329 6.270 20.345 1.00 0.00 H new ATOM 1443 N ARG A 102 29.309 3.455 21.779 1.00 0.00 N ATOM 1444 CA ARG A 102 30.704 3.080 22.074 1.00 0.00 C ATOM 1445 C ARG A 102 30.815 2.206 23.335 1.00 0.00 C ATOM 1446 O ARG A 102 31.649 2.455 24.204 1.00 0.00 O ATOM 1447 CB ARG A 102 31.595 4.341 22.125 1.00 0.00 C ATOM 1448 CG ARG A 102 31.657 5.145 20.812 1.00 0.00 C ATOM 1449 CD ARG A 102 32.466 4.467 19.693 1.00 0.00 C ATOM 1450 NE ARG A 102 32.350 5.227 18.436 1.00 0.00 N ATOM 1451 CZ ARG A 102 32.861 4.891 17.244 1.00 0.00 C ATOM 1452 NH1 ARG A 102 33.597 3.796 17.078 1.00 0.00 N ATOM 1453 NH2 ARG A 102 32.621 5.672 16.196 1.00 0.00 N ATOM 0 H ARG A 102 29.071 3.366 20.791 1.00 0.00 H new ATOM 0 HA ARG A 102 31.074 2.455 21.262 1.00 0.00 H new ATOM 0 HB2 ARG A 102 31.230 4.994 22.917 1.00 0.00 H new ATOM 0 HB3 ARG A 102 32.607 4.042 22.399 1.00 0.00 H new ATOM 0 HG2 ARG A 102 30.641 5.317 20.457 1.00 0.00 H new ATOM 0 HG3 ARG A 102 32.093 6.123 21.018 1.00 0.00 H new ATOM 0 HD2 ARG A 102 33.513 4.396 19.986 1.00 0.00 H new ATOM 0 HD3 ARG A 102 32.107 3.449 19.543 1.00 0.00 H new ATOM 0 HE ARG A 102 31.825 6.101 18.478 1.00 0.00 H new ATOM 0 HH11 ARG A 102 33.787 3.184 17.872 1.00 0.00 H new ATOM 0 HH12 ARG A 102 33.972 3.568 16.157 1.00 0.00 H new ATOM 0 HH21 ARG A 102 32.055 6.513 16.306 1.00 0.00 H new ATOM 0 HH22 ARG A 102 33.003 5.430 15.282 1.00 0.00 H new ATOM 1467 N GLY A 103 29.959 1.183 23.447 1.00 0.00 N ATOM 1468 CA GLY A 103 30.037 0.200 24.521 1.00 0.00 C ATOM 1469 C GLY A 103 29.529 0.714 25.869 1.00 0.00 C ATOM 1470 O GLY A 103 29.804 0.079 26.888 1.00 0.00 O ATOM 0 H GLY A 103 29.194 1.018 22.792 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.460 -0.680 24.238 1.00 0.00 H new ATOM 0 HA3 GLY A 103 31.073 -0.121 24.632 1.00 0.00 H new ATOM 1474 N VAL A 104 28.788 1.827 25.905 1.00 0.00 N ATOM 1475 CA VAL A 104 28.194 2.378 27.119 1.00 0.00 C ATOM 1476 C VAL A 104 26.692 2.496 26.861 1.00 0.00 C ATOM 1477 O VAL A 104 26.267 3.241 25.974 1.00 0.00 O ATOM 1478 CB VAL A 104 28.862 3.727 27.479 1.00 0.00 C ATOM 1479 CG1 VAL A 104 28.291 4.300 28.785 1.00 0.00 C ATOM 1480 CG2 VAL A 104 30.386 3.587 27.646 1.00 0.00 C ATOM 0 H VAL A 104 28.583 2.378 25.072 1.00 0.00 H new ATOM 0 HA VAL A 104 28.356 1.735 27.984 1.00 0.00 H new ATOM 0 HB VAL A 104 28.649 4.401 26.649 1.00 0.00 H new ATOM 0 HG11 VAL A 104 28.780 5.248 29.011 1.00 0.00 H new ATOM 0 HG12 VAL A 104 27.219 4.463 28.673 1.00 0.00 H new ATOM 0 HG13 VAL A 104 28.468 3.597 29.599 1.00 0.00 H new ATOM 0 HG21 VAL A 104 30.815 4.557 27.898 1.00 0.00 H new ATOM 0 HG22 VAL A 104 30.601 2.877 28.444 1.00 0.00 H new ATOM 0 HG23 VAL A 104 30.823 3.228 26.714 1.00 0.00 H new ATOM 1490 N ALA A 105 25.889 1.725 27.601 1.00 0.00 N ATOM 1491 CA ALA A 105 24.440 1.872 27.612 1.00 0.00 C ATOM 1492 C ALA A 105 24.064 3.091 28.458 1.00 0.00 C ATOM 1493 O ALA A 105 24.725 3.379 29.459 1.00 0.00 O ATOM 1494 CB ALA A 105 23.790 0.604 28.178 1.00 0.00 C ATOM 0 H ALA A 105 26.232 0.981 28.209 1.00 0.00 H new ATOM 0 HA ALA A 105 24.078 2.018 26.594 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.706 0.722 28.183 1.00 0.00 H new ATOM 0 HB2 ALA A 105 24.059 -0.251 27.558 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.142 0.438 29.196 1.00 0.00 H new ATOM 1548 N ALA A 110 14.600 3.415 31.532 1.00 0.00 N ATOM 1549 CA ALA A 110 13.967 2.842 30.350 1.00 0.00 C ATOM 1550 C ALA A 110 14.793 1.692 29.762 1.00 0.00 C ATOM 1551 O ALA A 110 14.216 0.800 29.143 1.00 0.00 O ATOM 1552 CB ALA A 110 13.767 3.934 29.293 1.00 0.00 C ATOM 0 HA ALA A 110 13.002 2.435 30.651 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.294 3.504 28.410 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.131 4.721 29.699 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.734 4.355 29.017 1.00 0.00 H new ATOM 1558 N CYS A 111 16.116 1.676 29.949 1.00 0.00 N ATOM 1559 CA CYS A 111 16.946 0.597 29.442 1.00 0.00 C ATOM 1560 C CYS A 111 16.736 -0.642 30.313 1.00 0.00 C ATOM 1561 O CYS A 111 16.846 -0.570 31.541 1.00 0.00 O ATOM 1562 CB CYS A 111 18.416 1.034 29.419 1.00 0.00 C ATOM 1563 SG CYS A 111 19.602 -0.214 28.843 1.00 0.00 S ATOM 0 H CYS A 111 16.629 2.402 30.449 1.00 0.00 H new ATOM 0 HA CYS A 111 16.663 0.351 28.419 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.504 1.913 28.781 1.00 0.00 H new ATOM 0 HB3 CYS A 111 18.700 1.341 30.426 1.00 0.00 H new ATOM 1568 N LYS A 112 16.485 -1.787 29.676 1.00 0.00 N ATOM 1569 CA LYS A 112 16.405 -3.105 30.300 1.00 0.00 C ATOM 1570 C LYS A 112 17.294 -4.021 29.471 1.00 0.00 C ATOM 1571 O LYS A 112 17.174 -4.034 28.244 1.00 0.00 O ATOM 1572 CB LYS A 112 14.951 -3.609 30.280 1.00 0.00 C ATOM 1573 CG LYS A 112 14.022 -2.870 31.265 1.00 0.00 C ATOM 1574 CD LYS A 112 12.580 -2.764 30.743 1.00 0.00 C ATOM 1575 CE LYS A 112 12.531 -1.715 29.623 1.00 0.00 C ATOM 1576 NZ LYS A 112 11.190 -1.550 29.011 1.00 0.00 N ATOM 0 H LYS A 112 16.326 -1.821 28.669 1.00 0.00 H new ATOM 0 HA LYS A 112 16.728 -3.077 31.341 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.553 -3.503 29.271 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.942 -4.673 30.516 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.022 -3.393 32.222 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.414 -1.869 31.448 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.243 -3.731 30.369 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.906 -2.483 31.552 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.857 -0.755 30.023 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.242 -1.994 28.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.262 -0.930 28.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.825 -2.479 28.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.542 -1.125 29.704 1.00 0.00 H new ATOM 1590 N ILE A 113 18.178 -4.773 30.122 1.00 0.00 N ATOM 1591 CA ILE A 113 19.144 -5.649 29.478 1.00 0.00 C ATOM 1592 C ILE A 113 19.293 -6.921 30.315 1.00 0.00 C ATOM 1593 O ILE A 113 19.184 -6.868 31.544 1.00 0.00 O ATOM 1594 CB ILE A 113 20.461 -4.863 29.289 1.00 0.00 C ATOM 1595 CG1 ILE A 113 21.459 -5.663 28.427 1.00 0.00 C ATOM 1596 CG2 ILE A 113 21.121 -4.416 30.608 1.00 0.00 C ATOM 1597 CD1 ILE A 113 22.527 -4.786 27.761 1.00 0.00 C ATOM 0 H ILE A 113 18.241 -4.788 31.140 1.00 0.00 H new ATOM 0 HA ILE A 113 18.818 -5.968 28.488 1.00 0.00 H new ATOM 0 HB ILE A 113 20.184 -3.947 28.768 1.00 0.00 H new ATOM 0 HG12 ILE A 113 21.950 -6.410 29.051 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.910 -6.203 27.656 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.039 -3.871 30.389 1.00 0.00 H new ATOM 0 HG22 ILE A 113 20.437 -3.768 31.156 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.354 -5.292 31.213 1.00 0.00 H new ATOM 0 HD11 ILE A 113 23.196 -5.412 27.170 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.045 -4.056 27.111 1.00 0.00 H new ATOM 0 HD13 ILE A 113 23.101 -4.266 28.528 1.00 0.00 H new ATOM 1609 N SER A 114 19.530 -8.068 29.677 1.00 0.00 N ATOM 1610 CA SER A 114 19.841 -9.334 30.338 1.00 0.00 C ATOM 1611 C SER A 114 20.576 -10.251 29.357 1.00 0.00 C ATOM 1612 O SER A 114 20.307 -10.215 28.155 1.00 0.00 O ATOM 1613 CB SER A 114 18.542 -10.013 30.803 1.00 0.00 C ATOM 1614 OG SER A 114 17.892 -9.257 31.810 1.00 0.00 O ATOM 0 H SER A 114 19.510 -8.143 28.660 1.00 0.00 H new ATOM 0 HA SER A 114 20.474 -9.143 31.205 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.872 -10.140 29.953 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.767 -11.010 31.183 1.00 0.00 H new ATOM 0 HG SER A 114 18.348 -8.397 31.919 1.00 0.00 H new ATOM 1620 N GLY A 115 21.482 -11.090 29.871 1.00 0.00 N ATOM 1621 CA GLY A 115 22.141 -12.150 29.111 1.00 0.00 C ATOM 1622 C GLY A 115 23.079 -11.646 28.010 1.00 0.00 C ATOM 1623 O GLY A 115 23.365 -12.398 27.078 1.00 0.00 O ATOM 0 H GLY A 115 21.781 -11.048 30.845 1.00 0.00 H new ATOM 0 HA2 GLY A 115 22.710 -12.775 29.799 1.00 0.00 H new ATOM 0 HA3 GLY A 115 21.379 -12.785 28.660 1.00 0.00 H new ATOM 1627 N CYS A 116 23.541 -10.393 28.083 1.00 0.00 N ATOM 1628 CA CYS A 116 24.313 -9.753 27.022 1.00 0.00 C ATOM 1629 C CYS A 116 25.768 -9.544 27.428 1.00 0.00 C ATOM 1630 O CYS A 116 26.098 -9.440 28.613 1.00 0.00 O ATOM 1631 CB CYS A 116 23.704 -8.382 26.704 1.00 0.00 C ATOM 1632 SG CYS A 116 21.993 -8.400 26.125 1.00 0.00 S ATOM 0 H CYS A 116 23.385 -9.791 28.892 1.00 0.00 H new ATOM 0 HA CYS A 116 24.282 -10.409 26.152 1.00 0.00 H new ATOM 0 HB2 CYS A 116 23.758 -7.764 27.600 1.00 0.00 H new ATOM 0 HB3 CYS A 116 24.320 -7.898 25.946 1.00 0.00 H new ATOM 1637 N SER A 117 26.609 -9.396 26.408 1.00 0.00 N ATOM 1638 CA SER A 117 27.995 -8.967 26.490 1.00 0.00 C ATOM 1639 C SER A 117 28.136 -7.900 25.403 1.00 0.00 C ATOM 1640 O SER A 117 27.526 -8.043 24.338 1.00 0.00 O ATOM 1641 CB SER A 117 28.932 -10.159 26.249 1.00 0.00 C ATOM 1642 OG SER A 117 28.688 -11.202 27.183 1.00 0.00 O ATOM 0 H SER A 117 26.321 -9.584 25.448 1.00 0.00 H new ATOM 0 HA SER A 117 28.261 -8.570 27.470 1.00 0.00 H new ATOM 0 HB2 SER A 117 28.793 -10.535 25.235 1.00 0.00 H new ATOM 0 HB3 SER A 117 29.969 -9.832 26.328 1.00 0.00 H new ATOM 0 HG SER A 117 29.297 -11.949 27.006 1.00 0.00 H new ATOM 1648 N LEU A 118 28.870 -6.815 25.655 1.00 0.00 N ATOM 1649 CA LEU A 118 29.009 -5.727 24.689 1.00 0.00 C ATOM 1650 C LEU A 118 30.380 -5.060 24.772 1.00 0.00 C ATOM 1651 O LEU A 118 31.102 -5.233 25.759 1.00 0.00 O ATOM 1652 CB LEU A 118 27.832 -4.730 24.792 1.00 0.00 C ATOM 1653 CG LEU A 118 27.505 -4.116 26.170 1.00 0.00 C ATOM 1654 CD1 LEU A 118 28.585 -3.161 26.689 1.00 0.00 C ATOM 1655 CD2 LEU A 118 26.184 -3.344 26.068 1.00 0.00 C ATOM 0 H LEU A 118 29.380 -6.667 26.526 1.00 0.00 H new ATOM 0 HA LEU A 118 28.956 -6.158 23.689 1.00 0.00 H new ATOM 0 HB2 LEU A 118 28.031 -3.910 24.102 1.00 0.00 H new ATOM 0 HB3 LEU A 118 26.936 -5.237 24.434 1.00 0.00 H new ATOM 0 HG LEU A 118 27.442 -4.945 26.875 1.00 0.00 H new ATOM 0 HD11 LEU A 118 28.287 -2.768 27.661 1.00 0.00 H new ATOM 0 HD12 LEU A 118 29.528 -3.698 26.788 1.00 0.00 H new ATOM 0 HD13 LEU A 118 28.709 -2.336 25.987 1.00 0.00 H new ATOM 0 HD21 LEU A 118 25.943 -2.906 27.036 1.00 0.00 H new ATOM 0 HD22 LEU A 118 26.282 -2.552 25.326 1.00 0.00 H new ATOM 0 HD23 LEU A 118 25.387 -4.025 25.769 1.00 0.00 H new ATOM 1667 N SER A 119 30.717 -4.301 23.727 1.00 0.00 N ATOM 1668 CA SER A 119 32.016 -3.674 23.518 1.00 0.00 C ATOM 1669 C SER A 119 31.844 -2.380 22.714 1.00 0.00 C ATOM 1670 O SER A 119 30.825 -2.175 22.041 1.00 0.00 O ATOM 1671 CB SER A 119 32.934 -4.635 22.739 1.00 0.00 C ATOM 1672 OG SER A 119 33.043 -5.909 23.359 1.00 0.00 O ATOM 0 H SER A 119 30.060 -4.100 22.973 1.00 0.00 H new ATOM 0 HA SER A 119 32.461 -3.445 24.486 1.00 0.00 H new ATOM 0 HB2 SER A 119 32.549 -4.759 21.727 1.00 0.00 H new ATOM 0 HB3 SER A 119 33.926 -4.192 22.650 1.00 0.00 H new ATOM 0 HG SER A 119 33.634 -6.482 22.827 1.00 0.00 H new ATOM 1678 N ALA A 120 32.848 -1.504 22.769 1.00 0.00 N ATOM 1679 CA ALA A 120 32.930 -0.340 21.900 1.00 0.00 C ATOM 1680 C ALA A 120 33.441 -0.773 20.523 1.00 0.00 C ATOM 1681 O ALA A 120 34.306 -1.650 20.430 1.00 0.00 O ATOM 1682 CB ALA A 120 33.904 0.679 22.505 1.00 0.00 C ATOM 0 H ALA A 120 33.628 -1.586 23.421 1.00 0.00 H new ATOM 0 HA ALA A 120 31.943 0.113 21.800 1.00 0.00 H new ATOM 0 HB1 ALA A 120 33.967 1.552 21.855 1.00 0.00 H new ATOM 0 HB2 ALA A 120 33.547 0.984 23.489 1.00 0.00 H new ATOM 0 HB3 ALA A 120 34.891 0.226 22.601 1.00 0.00 H new ATOM 1688 N MET A 121 32.927 -0.148 19.463 1.00 0.00 N ATOM 1689 CA MET A 121 33.481 -0.293 18.125 1.00 0.00 C ATOM 1690 C MET A 121 34.757 0.543 18.097 1.00 0.00 C ATOM 1691 O MET A 121 35.814 0.022 17.686 1.00 0.00 O ATOM 1692 CB MET A 121 32.462 0.188 17.087 1.00 0.00 C ATOM 1693 CG MET A 121 32.887 -0.090 15.642 1.00 0.00 C ATOM 1694 SD MET A 121 33.045 -1.846 15.195 1.00 0.00 S ATOM 1695 CE MET A 121 31.314 -2.387 15.308 1.00 0.00 C ATOM 1696 OXT MET A 121 34.696 1.722 18.514 1.00 0.00 O ATOM 0 H MET A 121 32.117 0.470 19.512 1.00 0.00 H new ATOM 0 HA MET A 121 33.707 -1.332 17.884 1.00 0.00 H new ATOM 0 HB2 MET A 121 31.505 -0.298 17.276 1.00 0.00 H new ATOM 0 HB3 MET A 121 32.305 1.259 17.212 1.00 0.00 H new ATOM 0 HG2 MET A 121 32.162 0.373 14.973 1.00 0.00 H new ATOM 0 HG3 MET A 121 33.844 0.400 15.463 1.00 0.00 H new ATOM 0 HE1 MET A 121 31.225 -3.404 14.926 1.00 0.00 H new ATOM 0 HE2 MET A 121 30.992 -2.361 16.349 1.00 0.00 H new ATOM 0 HE3 MET A 121 30.685 -1.721 14.717 1.00 0.00 H new