USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 919 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 13 LYS NZ :NH3+ 151:sc= 0.135 (180deg=-1.43!) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.573 K(o=0.71,f=-6.4!) USER MOD Set 2.1: A 87 THR OG1 : rot -154:sc= 0.799 USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= 0.959 F(o=0.76,f=1.8) USER MOD Set 3.1: A 67 TYR OH : rot 180:sc= 0.659 USER MOD Set 3.2: A 103 CYS SG : rot -105:sc= 0.557 USER MOD Set 4.1: A 43 SER OG : rot -64:sc= 1.16 USER MOD Set 4.2: A 45 SER OG : rot 180:sc= 0.736 USER MOD Set 4.3: A 46 ASN : amide:sc= -9.32! C(o=-7.4!,f=-11!) USER MOD Set 5.1: A 27 GLN :FLIP amide:sc= -0.183 F(o=-1.8,f=-1.3) USER MOD Set 5.2: A 33 ASN : amide:sc= -0.44 K(o=-1.3,f=-2.9!) USER MOD Set 5.3: A 110 CYS SG : rot 37:sc= -0.635! USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0124 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A 18 THR OG1 : rot -52:sc= 0.798 USER MOD Single : A 20 SER OG : rot 180:sc= 0.152 USER MOD Single : A 22 LYS NZ :NH3+ 153:sc= 0.535 (180deg=0.213) USER MOD Single : A 32 MET CE :methyl -178:sc= 0 (180deg=-0.0066) USER MOD Single : A 34 LYS NZ :NH3+ -148:sc= 0.0992 (180deg=-0.56) USER MOD Single : A 37 SER OG : rot -46:sc= 0.415 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -160:sc= -0.0153 USER MOD Single : A 53 SER OG : rot -134:sc= 0.0813 USER MOD Single : A 55 LYS NZ :NH3+ -107:sc= 0.786 (180deg=-0.624) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 59 THR OG1 : rot -21:sc= 0.463 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HE2:sc= -0.0549 K(o=-0.055,f=-1.9!) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0.253 (180deg=0.24) USER MOD Single : A 71 SER OG : rot 120:sc= -0.383 USER MOD Single : A 74 ASN : amide:sc= 0.0565 K(o=0.056,f=-0.52) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.23) USER MOD Single : A 94 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.53) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 67:sc= 1.26 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= -0.0642 (180deg=-0.488) USER MOD Single : A 104 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.39) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 110:sc= -0.0301 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.383 -8.181 -2.008 1.00 0.00 N ATOM 2 CA GLY A 1 -31.718 -7.603 -2.131 1.00 0.00 C ATOM 3 C GLY A 1 -31.985 -7.047 -3.525 1.00 0.00 C ATOM 4 O GLY A 1 -31.474 -7.538 -4.522 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.452 -9.125 -1.576 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.952 -8.262 -2.951 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.793 -7.568 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.463 -8.364 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.835 -6.806 -1.397 1.00 0.00 H new ATOM 10 N SER A 2 -32.815 -5.988 -3.508 1.00 0.00 N ATOM 11 CA SER A 2 -33.213 -5.295 -4.725 1.00 0.00 C ATOM 12 C SER A 2 -32.107 -4.313 -5.142 1.00 0.00 C ATOM 13 O SER A 2 -31.539 -3.606 -4.319 1.00 0.00 O ATOM 14 CB SER A 2 -34.552 -4.567 -4.409 1.00 0.00 C ATOM 15 OG SER A 2 -35.522 -5.225 -3.497 1.00 0.00 O ATOM 0 H SER A 2 -33.219 -5.600 -2.656 1.00 0.00 H new ATOM 0 HA SER A 2 -33.357 -5.981 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.307 -3.593 -3.985 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.060 -4.383 -5.356 1.00 0.00 H new ATOM 0 HG SER A 2 -36.311 -4.653 -3.391 1.00 0.00 H new ATOM 21 N VAL A 3 -31.845 -4.332 -6.466 1.00 0.00 N ATOM 22 CA VAL A 3 -30.820 -3.484 -7.070 1.00 0.00 C ATOM 23 C VAL A 3 -29.417 -3.974 -6.629 1.00 0.00 C ATOM 24 O VAL A 3 -28.952 -5.010 -7.086 1.00 0.00 O ATOM 25 CB VAL A 3 -31.108 -1.973 -6.871 1.00 0.00 C ATOM 26 CG1 VAL A 3 -30.160 -1.092 -7.704 1.00 0.00 C ATOM 27 CG2 VAL A 3 -32.564 -1.632 -7.232 1.00 0.00 C ATOM 0 H VAL A 3 -32.336 -4.930 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 3 -30.843 -3.586 -8.155 1.00 0.00 H new ATOM 0 HB VAL A 3 -30.939 -1.763 -5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -30.397 -0.042 -7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -29.129 -1.284 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -30.282 -1.325 -8.762 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -32.736 -0.566 -7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -32.749 -1.887 -8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -33.240 -2.201 -6.594 1.00 0.00 H new ATOM 37 N ALA A 4 -28.786 -3.193 -5.722 1.00 0.00 N ATOM 38 CA ALA A 4 -27.458 -3.530 -5.213 1.00 0.00 C ATOM 39 C ALA A 4 -27.101 -2.541 -4.077 1.00 0.00 C ATOM 40 O ALA A 4 -27.678 -1.463 -4.004 1.00 0.00 O ATOM 41 CB ALA A 4 -26.413 -3.417 -6.335 1.00 0.00 C ATOM 0 H ALA A 4 -29.180 -2.335 -5.337 1.00 0.00 H new ATOM 0 HA ALA A 4 -27.460 -4.554 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -25.428 -3.671 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -26.670 -4.104 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -26.399 -2.396 -6.718 1.00 0.00 H new ATOM 47 N PRO A 5 -26.138 -2.939 -3.182 1.00 0.00 N ATOM 48 CA PRO A 5 -25.701 -2.067 -2.077 1.00 0.00 C ATOM 49 C PRO A 5 -24.912 -0.812 -2.552 1.00 0.00 C ATOM 50 O PRO A 5 -25.270 -0.168 -3.530 1.00 0.00 O ATOM 51 CB PRO A 5 -24.837 -3.014 -1.201 1.00 0.00 C ATOM 52 CG PRO A 5 -25.192 -4.430 -1.635 1.00 0.00 C ATOM 53 CD PRO A 5 -25.559 -4.283 -3.108 1.00 0.00 C ATOM 0 HA PRO A 5 -26.543 -1.633 -1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -23.775 -2.817 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -25.048 -2.866 -0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -24.352 -5.112 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -26.024 -4.829 -1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.684 -4.380 -3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -26.272 -5.045 -3.422 1.00 0.00 H new ATOM 61 N VAL A 6 -23.810 -0.514 -1.827 1.00 0.00 N ATOM 62 CA VAL A 6 -22.941 0.614 -2.159 1.00 0.00 C ATOM 63 C VAL A 6 -21.755 0.109 -2.996 1.00 0.00 C ATOM 64 O VAL A 6 -21.222 0.829 -3.831 1.00 0.00 O ATOM 65 CB VAL A 6 -22.456 1.314 -0.876 1.00 0.00 C ATOM 66 CG1 VAL A 6 -21.528 2.499 -1.195 1.00 0.00 C ATOM 67 CG2 VAL A 6 -23.644 1.796 -0.028 1.00 0.00 C ATOM 0 H VAL A 6 -23.510 -1.045 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 6 -23.499 1.346 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 6 -21.890 0.579 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -21.205 2.969 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -20.656 2.141 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -22.064 3.228 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -23.273 2.287 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -24.241 2.501 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -24.261 0.942 0.252 1.00 0.00 H new ATOM 77 N GLU A 7 -21.388 -1.170 -2.729 1.00 0.00 N ATOM 78 CA GLU A 7 -20.289 -1.836 -3.426 1.00 0.00 C ATOM 79 C GLU A 7 -20.761 -2.394 -4.781 1.00 0.00 C ATOM 80 O GLU A 7 -20.824 -3.591 -5.037 1.00 0.00 O ATOM 81 CB GLU A 7 -19.723 -2.960 -2.539 1.00 0.00 C ATOM 82 CG GLU A 7 -19.317 -2.505 -1.126 1.00 0.00 C ATOM 83 CD GLU A 7 -18.336 -1.316 -1.140 1.00 0.00 C ATOM 84 OE1 GLU A 7 -17.349 -1.370 -1.875 1.00 0.00 O ATOM 85 OE2 GLU A 7 -18.578 -0.348 -0.419 1.00 0.00 O ATOM 0 H GLU A 7 -21.848 -1.753 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.501 -1.109 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.469 -3.750 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.853 -3.394 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.211 -2.226 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.860 -3.341 -0.597 1.00 0.00 H new ATOM 92 N THR A 8 -21.080 -1.397 -5.615 1.00 0.00 N ATOM 93 CA THR A 8 -21.572 -1.541 -6.973 1.00 0.00 C ATOM 94 C THR A 8 -20.406 -1.430 -7.962 1.00 0.00 C ATOM 95 O THR A 8 -20.288 -0.485 -8.731 1.00 0.00 O ATOM 96 CB THR A 8 -22.590 -0.377 -7.128 1.00 0.00 C ATOM 97 OG1 THR A 8 -22.174 0.936 -6.621 1.00 0.00 O ATOM 98 CG2 THR A 8 -23.968 -0.842 -6.581 1.00 0.00 C ATOM 0 H THR A 8 -20.994 -0.419 -5.337 1.00 0.00 H new ATOM 0 HA THR A 8 -22.038 -2.506 -7.173 1.00 0.00 H new ATOM 0 HB THR A 8 -22.659 -0.171 -8.196 1.00 0.00 H new ATOM 0 HG1 THR A 8 -22.890 1.587 -6.773 1.00 0.00 H new ATOM 0 HG21 THR A 8 -24.692 -0.034 -6.684 1.00 0.00 H new ATOM 0 HG22 THR A 8 -24.310 -1.709 -7.146 1.00 0.00 H new ATOM 0 HG23 THR A 8 -23.870 -1.110 -5.529 1.00 0.00 H new ATOM 106 N LEU A 9 -19.550 -2.472 -7.839 1.00 0.00 N ATOM 107 CA LEU A 9 -18.315 -2.671 -8.604 1.00 0.00 C ATOM 108 C LEU A 9 -17.342 -1.472 -8.471 1.00 0.00 C ATOM 109 O LEU A 9 -16.408 -1.316 -9.248 1.00 0.00 O ATOM 110 CB LEU A 9 -18.552 -3.183 -10.045 1.00 0.00 C ATOM 111 CG LEU A 9 -19.386 -2.312 -11.007 1.00 0.00 C ATOM 112 CD1 LEU A 9 -18.708 -0.982 -11.368 1.00 0.00 C ATOM 113 CD2 LEU A 9 -19.680 -3.101 -12.292 1.00 0.00 C ATOM 0 H LEU A 9 -19.717 -3.225 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.786 -3.503 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.577 -3.344 -10.504 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -19.036 -4.157 -9.975 1.00 0.00 H new ATOM 0 HG LEU A 9 -20.310 -2.064 -10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -19.349 -0.420 -12.047 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -18.542 -0.401 -10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.752 -1.181 -11.852 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -20.269 -2.484 -12.971 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -18.741 -3.375 -12.773 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -20.238 -4.004 -12.045 1.00 0.00 H new ATOM 125 N GLU A 10 -17.617 -0.665 -7.424 1.00 0.00 N ATOM 126 CA GLU A 10 -16.859 0.526 -7.082 1.00 0.00 C ATOM 127 C GLU A 10 -15.745 0.098 -6.112 1.00 0.00 C ATOM 128 O GLU A 10 -15.973 -0.097 -4.925 1.00 0.00 O ATOM 129 CB GLU A 10 -17.862 1.504 -6.448 1.00 0.00 C ATOM 130 CG GLU A 10 -17.271 2.885 -6.129 1.00 0.00 C ATOM 131 CD GLU A 10 -18.349 3.797 -5.512 1.00 0.00 C ATOM 132 OE1 GLU A 10 -18.510 3.773 -4.294 1.00 0.00 O ATOM 133 OE2 GLU A 10 -19.018 4.517 -6.255 1.00 0.00 O ATOM 0 H GLU A 10 -18.394 -0.840 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.385 1.013 -7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -18.708 1.629 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.250 1.065 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.435 2.780 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.878 3.339 -7.039 1.00 0.00 H new ATOM 140 N VAL A 11 -14.540 -0.052 -6.699 1.00 0.00 N ATOM 141 CA VAL A 11 -13.385 -0.491 -5.917 1.00 0.00 C ATOM 142 C VAL A 11 -12.135 0.338 -6.245 1.00 0.00 C ATOM 143 O VAL A 11 -11.432 0.784 -5.349 1.00 0.00 O ATOM 144 CB VAL A 11 -13.143 -2.006 -6.126 1.00 0.00 C ATOM 145 CG1 VAL A 11 -14.172 -2.854 -5.364 1.00 0.00 C ATOM 146 CG2 VAL A 11 -13.126 -2.434 -7.605 1.00 0.00 C ATOM 0 H VAL A 11 -14.351 0.121 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.601 -0.326 -4.861 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.146 -2.187 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.970 -3.911 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.103 -2.639 -4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.175 -2.614 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.951 -3.508 -7.671 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -14.085 -2.193 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.330 -1.904 -8.128 1.00 0.00 H new ATOM 156 N GLU A 12 -11.899 0.511 -7.566 1.00 0.00 N ATOM 157 CA GLU A 12 -10.740 1.254 -8.063 1.00 0.00 C ATOM 158 C GLU A 12 -9.465 0.597 -7.512 1.00 0.00 C ATOM 159 O GLU A 12 -8.776 1.081 -6.626 1.00 0.00 O ATOM 160 CB GLU A 12 -10.866 2.755 -7.760 1.00 0.00 C ATOM 161 CG GLU A 12 -12.222 3.310 -8.233 1.00 0.00 C ATOM 162 CD GLU A 12 -12.281 4.845 -8.171 1.00 0.00 C ATOM 163 OE1 GLU A 12 -11.939 5.412 -7.132 1.00 0.00 O ATOM 164 OE2 GLU A 12 -12.666 5.459 -9.166 1.00 0.00 O ATOM 0 H GLU A 12 -12.503 0.142 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.686 1.203 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.756 2.922 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.058 3.296 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.408 2.983 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.017 2.893 -7.615 1.00 0.00 H new ATOM 171 N LYS A 13 -9.255 -0.571 -8.137 1.00 0.00 N ATOM 172 CA LYS A 13 -8.200 -1.512 -7.841 1.00 0.00 C ATOM 173 C LYS A 13 -6.797 -0.942 -8.035 1.00 0.00 C ATOM 174 O LYS A 13 -5.958 -1.202 -7.179 1.00 0.00 O ATOM 175 CB LYS A 13 -8.503 -2.788 -8.622 1.00 0.00 C ATOM 176 CG LYS A 13 -9.680 -3.525 -7.963 1.00 0.00 C ATOM 177 CD LYS A 13 -9.177 -4.542 -6.927 1.00 0.00 C ATOM 178 CE LYS A 13 -10.304 -5.313 -6.248 1.00 0.00 C ATOM 179 NZ LYS A 13 -10.924 -4.587 -5.148 1.00 0.00 N ATOM 0 H LYS A 13 -9.855 -0.887 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.187 -1.750 -6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.746 -2.545 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.623 -3.431 -8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.341 -2.805 -7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.267 -4.036 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.506 -5.248 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.594 -4.020 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.066 -5.554 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.912 -6.259 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.917 -4.882 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.416 -4.795 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.883 -3.566 -5.339 1.00 0.00 H new ATOM 193 N TRP A 14 -6.529 -0.174 -9.133 1.00 0.00 N ATOM 194 CA TRP A 14 -5.155 0.351 -9.214 1.00 0.00 C ATOM 195 C TRP A 14 -4.891 1.281 -8.039 1.00 0.00 C ATOM 196 O TRP A 14 -3.845 1.218 -7.411 1.00 0.00 O ATOM 197 CB TRP A 14 -4.659 0.881 -10.583 1.00 0.00 C ATOM 198 CG TRP A 14 -4.842 2.342 -11.002 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.481 2.707 -12.192 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.296 3.579 -10.458 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.343 4.040 -12.403 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.624 4.620 -11.369 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.576 3.894 -9.332 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.224 5.917 -11.125 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.185 5.206 -9.078 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.512 6.217 -9.973 1.00 0.00 C ATOM 0 H TRP A 14 -7.170 0.069 -9.888 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.511 -0.524 -9.131 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.591 0.671 -10.633 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -5.139 0.272 -11.349 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.007 2.027 -12.846 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.715 4.544 -13.208 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.309 3.114 -8.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.465 6.699 -11.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.626 5.438 -8.183 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.212 7.235 -9.772 1.00 0.00 H new ATOM 217 N PHE A 15 -5.916 2.112 -7.761 1.00 0.00 N ATOM 218 CA PHE A 15 -5.789 3.049 -6.660 1.00 0.00 C ATOM 219 C PHE A 15 -6.361 2.444 -5.364 1.00 0.00 C ATOM 220 O PHE A 15 -7.419 2.846 -4.894 1.00 0.00 O ATOM 221 CB PHE A 15 -6.473 4.369 -7.048 1.00 0.00 C ATOM 222 CG PHE A 15 -6.136 5.496 -6.105 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.810 5.771 -5.779 1.00 0.00 C ATOM 224 CD2 PHE A 15 -7.142 6.281 -5.550 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.501 6.810 -4.914 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.832 7.326 -4.688 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.507 7.592 -4.370 1.00 0.00 C ATOM 0 H PHE A 15 -6.801 2.145 -8.268 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.738 3.258 -6.462 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.174 4.645 -8.059 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.553 4.223 -7.063 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.018 5.171 -6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.174 6.076 -5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.470 7.011 -4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.621 7.931 -4.266 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.262 8.404 -3.702 1.00 0.00 H new ATOM 237 N PHE A 16 -5.598 1.467 -4.804 1.00 0.00 N ATOM 238 CA PHE A 16 -6.046 0.831 -3.558 1.00 0.00 C ATOM 239 C PHE A 16 -5.692 1.758 -2.372 1.00 0.00 C ATOM 240 O PHE A 16 -5.417 2.941 -2.533 1.00 0.00 O ATOM 241 CB PHE A 16 -5.464 -0.614 -3.391 1.00 0.00 C ATOM 242 CG PHE A 16 -6.500 -1.675 -3.062 1.00 0.00 C ATOM 243 CD1 PHE A 16 -7.691 -1.392 -2.390 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.264 -2.993 -3.443 1.00 0.00 C ATOM 245 CE1 PHE A 16 -8.624 -2.389 -2.138 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.198 -3.994 -3.202 1.00 0.00 C ATOM 247 CZ PHE A 16 -8.380 -3.692 -2.545 1.00 0.00 C ATOM 0 H PHE A 16 -4.715 1.123 -5.180 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.128 0.699 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.954 -0.895 -4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.712 -0.601 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.889 -0.383 -2.061 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.336 -3.243 -3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.543 -2.149 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.003 -5.005 -3.526 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.107 -4.467 -2.351 1.00 0.00 H new ATOM 257 N ARG A 17 -5.732 1.139 -1.179 1.00 0.00 N ATOM 258 CA ARG A 17 -5.425 1.825 0.070 1.00 0.00 C ATOM 259 C ARG A 17 -4.529 0.917 0.914 1.00 0.00 C ATOM 260 O ARG A 17 -4.082 -0.133 0.479 1.00 0.00 O ATOM 261 CB ARG A 17 -6.732 2.125 0.843 1.00 0.00 C ATOM 262 CG ARG A 17 -7.526 3.327 0.329 1.00 0.00 C ATOM 263 CD ARG A 17 -6.729 4.632 0.342 1.00 0.00 C ATOM 264 NE ARG A 17 -7.607 5.753 0.024 1.00 0.00 N ATOM 265 CZ ARG A 17 -7.241 7.039 0.209 1.00 0.00 C ATOM 266 NH1 ARG A 17 -6.057 7.353 0.720 1.00 0.00 N ATOM 267 NH2 ARG A 17 -8.080 8.007 -0.131 1.00 0.00 N ATOM 0 H ARG A 17 -5.977 0.156 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.917 2.766 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.371 1.243 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.486 2.293 1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.860 3.124 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.420 3.450 0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.275 4.781 1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.916 4.579 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.534 5.557 -0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.403 6.616 0.982 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.801 8.332 0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.991 7.776 -0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.815 8.983 0.004 1.00 0.00 H new ATOM 281 N THR A 18 -4.331 1.428 2.140 1.00 0.00 N ATOM 282 CA THR A 18 -3.578 0.874 3.247 1.00 0.00 C ATOM 283 C THR A 18 -4.197 -0.456 3.702 1.00 0.00 C ATOM 284 O THR A 18 -4.861 -0.591 4.724 1.00 0.00 O ATOM 285 CB THR A 18 -3.467 1.866 4.457 1.00 0.00 C ATOM 286 OG1 THR A 18 -3.302 1.257 5.779 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.546 3.000 4.426 1.00 0.00 C ATOM 0 H THR A 18 -4.740 2.328 2.392 1.00 0.00 H new ATOM 0 HA THR A 18 -2.565 0.697 2.886 1.00 0.00 H new ATOM 0 HB THR A 18 -2.504 2.348 4.291 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.007 0.591 5.923 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.414 3.651 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.435 3.583 3.512 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.541 2.556 4.455 1.00 0.00 H new ATOM 295 N ILE A 19 -3.897 -1.410 2.818 1.00 0.00 N ATOM 296 CA ILE A 19 -4.258 -2.808 2.921 1.00 0.00 C ATOM 297 C ILE A 19 -2.973 -3.442 3.434 1.00 0.00 C ATOM 298 O ILE A 19 -1.908 -2.844 3.315 1.00 0.00 O ATOM 299 CB ILE A 19 -4.636 -3.307 1.511 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.678 -4.420 1.536 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.458 -3.665 0.592 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.003 -4.949 0.123 1.00 0.00 C ATOM 0 H ILE A 19 -3.368 -1.208 1.970 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.106 -3.033 3.568 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.088 -2.427 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.315 -5.241 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.591 -4.050 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.838 -4.003 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.830 -2.786 0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.869 -4.460 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.750 -5.740 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.392 -4.136 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.097 -5.346 -0.334 1.00 0.00 H new ATOM 314 N SER A 20 -3.079 -4.645 4.011 1.00 0.00 N ATOM 315 CA SER A 20 -1.803 -5.202 4.473 1.00 0.00 C ATOM 316 C SER A 20 -1.004 -5.663 3.251 1.00 0.00 C ATOM 317 O SER A 20 -1.543 -5.913 2.181 1.00 0.00 O ATOM 318 CB SER A 20 -1.968 -6.436 5.407 1.00 0.00 C ATOM 319 OG SER A 20 -0.790 -7.284 5.753 1.00 0.00 O ATOM 0 H SER A 20 -3.924 -5.197 4.158 1.00 0.00 H new ATOM 0 HA SER A 20 -1.303 -4.415 5.038 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.392 -6.076 6.344 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.712 -7.089 4.950 1.00 0.00 H new ATOM 0 HG SER A 20 -1.073 -8.010 6.347 1.00 0.00 H new ATOM 325 N ARG A 21 0.316 -5.765 3.488 1.00 0.00 N ATOM 326 CA ARG A 21 1.217 -6.241 2.446 1.00 0.00 C ATOM 327 C ARG A 21 0.784 -7.661 1.995 1.00 0.00 C ATOM 328 O ARG A 21 0.925 -8.038 0.844 1.00 0.00 O ATOM 329 CB ARG A 21 2.668 -6.198 2.961 1.00 0.00 C ATOM 330 CG ARG A 21 3.686 -6.157 1.813 1.00 0.00 C ATOM 331 CD ARG A 21 5.149 -6.157 2.281 1.00 0.00 C ATOM 332 NE ARG A 21 5.473 -7.372 3.023 1.00 0.00 N ATOM 333 CZ ARG A 21 5.574 -8.584 2.438 1.00 0.00 C ATOM 334 NH1 ARG A 21 5.414 -8.740 1.131 1.00 0.00 N ATOM 335 NH2 ARG A 21 5.835 -9.641 3.191 1.00 0.00 N ATOM 0 H ARG A 21 0.766 -5.528 4.372 1.00 0.00 H new ATOM 0 HA ARG A 21 1.165 -5.594 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.802 -5.322 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.858 -7.073 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.522 -7.017 1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.506 -5.265 1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.808 -6.070 1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.331 -5.286 2.910 1.00 0.00 H new ATOM 0 HE ARG A 21 5.630 -7.302 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.209 -7.933 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.496 -9.667 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.957 -9.532 4.198 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.914 -10.564 2.764 1.00 0.00 H new ATOM 349 N LYS A 22 0.212 -8.405 2.970 1.00 0.00 N ATOM 350 CA LYS A 22 -0.284 -9.748 2.695 1.00 0.00 C ATOM 351 C LYS A 22 -1.568 -9.752 1.866 1.00 0.00 C ATOM 352 O LYS A 22 -1.842 -10.694 1.134 1.00 0.00 O ATOM 353 CB LYS A 22 -0.503 -10.517 4.000 1.00 0.00 C ATOM 354 CG LYS A 22 -1.754 -10.144 4.809 1.00 0.00 C ATOM 355 CD LYS A 22 -2.895 -11.115 4.527 1.00 0.00 C ATOM 356 CE LYS A 22 -4.117 -10.824 5.405 1.00 0.00 C ATOM 357 NZ LYS A 22 -5.328 -11.474 4.923 1.00 0.00 N ATOM 0 H LYS A 22 0.090 -8.094 3.934 1.00 0.00 H new ATOM 0 HA LYS A 22 0.483 -10.244 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.552 -11.581 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.371 -10.370 4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.519 -10.152 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.064 -9.130 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.178 -11.049 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.556 -12.136 4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.914 -11.155 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.280 -9.747 5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.973 -11.642 5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.795 -10.863 4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.082 -12.382 4.480 1.00 0.00 H new ATOM 371 N ASP A 23 -2.330 -8.651 2.032 1.00 0.00 N ATOM 372 CA ASP A 23 -3.607 -8.544 1.361 1.00 0.00 C ATOM 373 C ASP A 23 -3.441 -8.192 -0.105 1.00 0.00 C ATOM 374 O ASP A 23 -3.972 -8.829 -0.998 1.00 0.00 O ATOM 375 CB ASP A 23 -4.496 -7.492 2.042 1.00 0.00 C ATOM 376 CG ASP A 23 -5.184 -8.044 3.299 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.760 -9.130 3.226 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.146 -7.380 4.332 1.00 0.00 O ATOM 0 H ASP A 23 -2.077 -7.852 2.613 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.086 -9.521 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.891 -6.626 2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.252 -7.146 1.337 1.00 0.00 H new ATOM 383 N ALA A 24 -2.671 -7.127 -0.284 1.00 0.00 N ATOM 384 CA ALA A 24 -2.395 -6.638 -1.625 1.00 0.00 C ATOM 385 C ALA A 24 -1.689 -7.724 -2.455 1.00 0.00 C ATOM 386 O ALA A 24 -1.944 -7.924 -3.634 1.00 0.00 O ATOM 387 CB ALA A 24 -1.570 -5.357 -1.509 1.00 0.00 C ATOM 0 H ALA A 24 -2.234 -6.594 0.468 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.321 -6.404 -2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.352 -4.973 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.133 -4.611 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.636 -5.572 -0.990 1.00 0.00 H new ATOM 393 N GLU A 25 -0.815 -8.454 -1.748 1.00 0.00 N ATOM 394 CA GLU A 25 -0.091 -9.516 -2.411 1.00 0.00 C ATOM 395 C GLU A 25 -1.044 -10.693 -2.671 1.00 0.00 C ATOM 396 O GLU A 25 -0.844 -11.444 -3.611 1.00 0.00 O ATOM 397 CB GLU A 25 1.140 -9.852 -1.569 1.00 0.00 C ATOM 398 CG GLU A 25 2.301 -8.823 -1.665 1.00 0.00 C ATOM 399 CD GLU A 25 1.960 -7.309 -1.813 1.00 0.00 C ATOM 400 OE1 GLU A 25 1.269 -6.924 -2.754 1.00 0.00 O ATOM 401 OE2 GLU A 25 2.416 -6.513 -0.995 1.00 0.00 O ATOM 0 H GLU A 25 -0.606 -8.328 -0.758 1.00 0.00 H new ATOM 0 HA GLU A 25 0.278 -9.222 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.836 -9.938 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.514 -10.829 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.915 -8.936 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.921 -9.105 -2.516 1.00 0.00 H new ATOM 408 N ARG A 26 -2.120 -10.795 -1.843 1.00 0.00 N ATOM 409 CA ARG A 26 -3.083 -11.880 -2.074 1.00 0.00 C ATOM 410 C ARG A 26 -3.823 -11.614 -3.404 1.00 0.00 C ATOM 411 O ARG A 26 -4.194 -12.519 -4.139 1.00 0.00 O ATOM 412 CB ARG A 26 -4.141 -12.007 -0.935 1.00 0.00 C ATOM 413 CG ARG A 26 -5.485 -11.224 -1.040 1.00 0.00 C ATOM 414 CD ARG A 26 -6.040 -10.630 0.269 1.00 0.00 C ATOM 415 NE ARG A 26 -7.491 -10.773 0.330 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.090 -11.956 0.576 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.374 -13.060 0.755 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.413 -12.019 0.636 1.00 0.00 N ATOM 0 H ARG A 26 -2.326 -10.176 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.519 -12.812 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.387 -13.064 -0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.658 -11.703 -0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.351 -10.411 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.238 -11.893 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.585 -11.132 1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.771 -9.576 0.338 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.073 -9.949 0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.356 -13.021 0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.842 -13.947 0.940 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.971 -11.176 0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.873 -12.910 0.822 1.00 0.00 H new ATOM 432 N GLN A 27 -3.979 -10.288 -3.637 1.00 0.00 N ATOM 433 CA GLN A 27 -4.695 -9.778 -4.803 1.00 0.00 C ATOM 434 C GLN A 27 -3.975 -10.064 -6.122 1.00 0.00 C ATOM 435 O GLN A 27 -4.559 -10.588 -7.062 1.00 0.00 O ATOM 436 CB GLN A 27 -4.940 -8.262 -4.692 1.00 0.00 C ATOM 437 CG GLN A 27 -5.842 -7.884 -3.516 1.00 0.00 C ATOM 438 CD GLN A 27 -7.339 -8.028 -3.814 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.084 -8.059 -2.700 1.00 0.00 O flip ATOM 440 NE2 GLN A 27 -7.784 -8.102 -4.952 1.00 0.00 N flip ATOM 0 H GLN A 27 -3.613 -9.561 -3.023 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.646 -10.310 -4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.982 -7.752 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.391 -7.904 -5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.589 -8.510 -2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.636 -6.853 -3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.150 -8.071 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.789 -8.195 -5.102 1.00 0.00 H new ATOM 449 N LEU A 28 -2.679 -9.687 -6.134 1.00 0.00 N ATOM 450 CA LEU A 28 -1.910 -9.852 -7.357 1.00 0.00 C ATOM 451 C LEU A 28 -1.439 -11.296 -7.573 1.00 0.00 C ATOM 452 O LEU A 28 -1.369 -11.750 -8.707 1.00 0.00 O ATOM 453 CB LEU A 28 -0.823 -8.794 -7.382 1.00 0.00 C ATOM 454 CG LEU A 28 -1.425 -7.393 -7.365 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.292 -6.405 -7.153 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.230 -7.104 -8.638 1.00 0.00 C ATOM 0 H LEU A 28 -2.174 -9.286 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.541 -9.686 -8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.166 -8.922 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.209 -8.919 -8.274 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.142 -7.301 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.692 -5.391 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.202 -6.616 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.428 -6.497 -7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.642 -6.096 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.578 -7.185 -9.507 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.043 -7.825 -8.726 1.00 0.00 H new ATOM 468 N LEU A 29 -1.166 -12.018 -6.460 1.00 0.00 N ATOM 469 CA LEU A 29 -0.770 -13.412 -6.611 1.00 0.00 C ATOM 470 C LEU A 29 -1.983 -14.265 -7.042 1.00 0.00 C ATOM 471 O LEU A 29 -1.813 -15.396 -7.475 1.00 0.00 O ATOM 472 CB LEU A 29 -0.189 -13.940 -5.298 1.00 0.00 C ATOM 473 CG LEU A 29 1.155 -13.288 -4.947 1.00 0.00 C ATOM 474 CD1 LEU A 29 1.449 -13.476 -3.462 1.00 0.00 C ATOM 475 CD2 LEU A 29 2.290 -13.859 -5.811 1.00 0.00 C ATOM 0 H LEU A 29 -1.212 -11.670 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.004 -13.479 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.899 -13.759 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.058 -15.020 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 29 1.091 -12.221 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.404 -13.011 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.659 -13.011 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.494 -14.540 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.230 -13.379 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.370 -14.933 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.076 -13.671 -6.863 1.00 0.00 H new ATOM 487 N ALA A 30 -3.203 -13.676 -6.928 1.00 0.00 N ATOM 488 CA ALA A 30 -4.394 -14.405 -7.346 1.00 0.00 C ATOM 489 C ALA A 30 -4.284 -14.766 -8.848 1.00 0.00 C ATOM 490 O ALA A 30 -3.778 -13.990 -9.654 1.00 0.00 O ATOM 491 CB ALA A 30 -5.647 -13.545 -7.127 1.00 0.00 C ATOM 0 H ALA A 30 -3.369 -12.738 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.473 -15.315 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.530 -14.101 -7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.736 -13.294 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.566 -12.629 -7.712 1.00 0.00 H new ATOM 497 N PRO A 31 -4.786 -15.986 -9.194 1.00 0.00 N ATOM 498 CA PRO A 31 -4.762 -16.481 -10.572 1.00 0.00 C ATOM 499 C PRO A 31 -5.728 -15.742 -11.522 1.00 0.00 C ATOM 500 O PRO A 31 -5.780 -16.005 -12.716 1.00 0.00 O ATOM 501 CB PRO A 31 -5.169 -17.956 -10.440 1.00 0.00 C ATOM 502 CG PRO A 31 -5.981 -18.010 -9.148 1.00 0.00 C ATOM 503 CD PRO A 31 -5.366 -16.943 -8.259 1.00 0.00 C ATOM 0 HA PRO A 31 -3.779 -16.326 -11.018 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.760 -18.283 -11.295 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.296 -18.606 -10.388 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.036 -17.809 -9.335 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.921 -18.994 -8.684 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.117 -16.473 -7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.608 -17.364 -7.599 1.00 0.00 H new ATOM 511 N MET A 32 -6.474 -14.800 -10.907 1.00 0.00 N ATOM 512 CA MET A 32 -7.441 -13.979 -11.590 1.00 0.00 C ATOM 513 C MET A 32 -6.779 -12.874 -12.442 1.00 0.00 C ATOM 514 O MET A 32 -7.388 -12.364 -13.377 1.00 0.00 O ATOM 515 CB MET A 32 -8.291 -13.366 -10.479 1.00 0.00 C ATOM 516 CG MET A 32 -9.291 -14.346 -9.857 1.00 0.00 C ATOM 517 SD MET A 32 -10.432 -13.508 -8.738 1.00 0.00 S ATOM 518 CE MET A 32 -9.394 -13.435 -7.269 1.00 0.00 C ATOM 0 H MET A 32 -6.405 -14.602 -9.909 1.00 0.00 H new ATOM 0 HA MET A 32 -8.028 -14.570 -12.292 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.633 -12.987 -9.697 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.835 -12.511 -10.880 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.854 -14.843 -10.647 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.751 -15.122 -9.314 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.951 -12.976 -6.452 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.097 -14.444 -6.983 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.505 -12.841 -7.481 1.00 0.00 H new ATOM 528 N ASN A 33 -5.520 -12.537 -12.067 1.00 0.00 N ATOM 529 CA ASN A 33 -4.768 -11.487 -12.764 1.00 0.00 C ATOM 530 C ASN A 33 -3.329 -11.939 -13.086 1.00 0.00 C ATOM 531 O ASN A 33 -2.837 -12.932 -12.563 1.00 0.00 O ATOM 532 CB ASN A 33 -4.754 -10.211 -11.905 1.00 0.00 C ATOM 533 CG ASN A 33 -6.149 -9.836 -11.382 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.417 -9.814 -10.190 1.00 0.00 O ATOM 535 ND2 ASN A 33 -7.019 -9.538 -12.356 1.00 0.00 N ATOM 0 H ASN A 33 -5.017 -12.976 -11.295 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.263 -11.281 -13.713 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.080 -10.353 -11.061 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.357 -9.385 -12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.975 -9.271 -12.122 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.725 -9.578 -13.332 1.00 0.00 H new ATOM 542 N LYS A 34 -2.703 -11.135 -13.982 1.00 0.00 N ATOM 543 CA LYS A 34 -1.332 -11.384 -14.441 1.00 0.00 C ATOM 544 C LYS A 34 -0.489 -10.109 -14.425 1.00 0.00 C ATOM 545 O LYS A 34 -1.019 -9.009 -14.474 1.00 0.00 O ATOM 546 CB LYS A 34 -1.335 -12.046 -15.825 1.00 0.00 C ATOM 547 CG LYS A 34 -2.023 -11.232 -16.934 1.00 0.00 C ATOM 548 CD LYS A 34 -1.104 -10.202 -17.591 1.00 0.00 C ATOM 549 CE LYS A 34 -0.039 -10.787 -18.525 1.00 0.00 C ATOM 550 NZ LYS A 34 1.251 -10.936 -17.860 1.00 0.00 N ATOM 0 H LYS A 34 -3.136 -10.309 -14.396 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.866 -12.077 -13.740 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.304 -12.237 -16.122 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.829 -13.015 -15.747 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.396 -11.915 -17.698 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.889 -10.720 -16.514 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.716 -9.500 -18.157 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.605 -9.631 -16.808 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.372 -11.758 -18.891 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.075 -10.140 -19.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.016 -10.800 -18.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.336 -10.226 -17.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.322 -11.889 -17.449 1.00 0.00 H new ATOM 564 N ALA A 35 0.850 -10.336 -14.379 1.00 0.00 N ATOM 565 CA ALA A 35 1.891 -9.297 -14.382 1.00 0.00 C ATOM 566 C ALA A 35 1.486 -8.089 -15.248 1.00 0.00 C ATOM 567 O ALA A 35 1.361 -8.175 -16.464 1.00 0.00 O ATOM 568 CB ALA A 35 3.205 -9.880 -14.908 1.00 0.00 C ATOM 0 H ALA A 35 1.237 -11.279 -14.338 1.00 0.00 H new ATOM 0 HA ALA A 35 2.019 -8.953 -13.356 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.972 -9.106 -14.908 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.520 -10.703 -14.267 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.059 -10.247 -15.924 1.00 0.00 H new ATOM 574 N GLY A 36 1.292 -6.984 -14.503 1.00 0.00 N ATOM 575 CA GLY A 36 0.853 -5.706 -15.031 1.00 0.00 C ATOM 576 C GLY A 36 -0.356 -5.224 -14.219 1.00 0.00 C ATOM 577 O GLY A 36 -0.652 -4.042 -14.102 1.00 0.00 O ATOM 0 H GLY A 36 1.444 -6.969 -13.494 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.661 -4.977 -14.974 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.586 -5.804 -16.083 1.00 0.00 H new ATOM 581 N SER A 37 -1.035 -6.234 -13.642 1.00 0.00 N ATOM 582 CA SER A 37 -2.124 -5.995 -12.715 1.00 0.00 C ATOM 583 C SER A 37 -1.408 -5.502 -11.449 1.00 0.00 C ATOM 584 O SER A 37 -0.516 -6.164 -10.925 1.00 0.00 O ATOM 585 CB SER A 37 -2.873 -7.327 -12.410 1.00 0.00 C ATOM 586 OG SER A 37 -2.072 -8.541 -12.130 1.00 0.00 O ATOM 0 H SER A 37 -0.837 -7.220 -13.811 1.00 0.00 H new ATOM 0 HA SER A 37 -2.865 -5.293 -13.098 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.522 -7.153 -11.552 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.520 -7.545 -13.260 1.00 0.00 H new ATOM 0 HG SER A 37 -1.355 -8.620 -12.793 1.00 0.00 H new ATOM 592 N PHE A 38 -1.812 -4.276 -11.052 1.00 0.00 N ATOM 593 CA PHE A 38 -1.213 -3.620 -9.896 1.00 0.00 C ATOM 594 C PHE A 38 -2.348 -3.152 -8.939 1.00 0.00 C ATOM 595 O PHE A 38 -3.536 -3.318 -9.191 1.00 0.00 O ATOM 596 CB PHE A 38 -0.508 -2.305 -10.347 1.00 0.00 C ATOM 597 CG PHE A 38 0.764 -2.324 -11.159 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.218 -3.371 -11.947 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.541 -1.176 -11.113 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.408 -3.251 -12.664 1.00 0.00 C ATOM 601 CE2 PHE A 38 2.748 -1.075 -11.777 1.00 0.00 C ATOM 602 CZ PHE A 38 3.197 -2.122 -12.558 1.00 0.00 C ATOM 0 H PHE A 38 -2.542 -3.736 -11.516 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.521 -4.319 -9.426 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.240 -1.735 -10.920 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.297 -1.734 -9.443 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.646 -4.285 -12.006 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.190 -0.332 -10.538 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.719 -4.056 -13.314 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.341 -0.177 -11.685 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.144 -2.059 -13.074 1.00 0.00 H new ATOM 612 N LEU A 39 -1.836 -2.528 -7.848 1.00 0.00 N ATOM 613 CA LEU A 39 -2.596 -1.901 -6.759 1.00 0.00 C ATOM 614 C LEU A 39 -1.695 -0.733 -6.309 1.00 0.00 C ATOM 615 O LEU A 39 -0.562 -0.654 -6.756 1.00 0.00 O ATOM 616 CB LEU A 39 -2.681 -2.778 -5.487 1.00 0.00 C ATOM 617 CG LEU A 39 -2.642 -4.284 -5.683 1.00 0.00 C ATOM 618 CD1 LEU A 39 -2.002 -4.933 -4.479 1.00 0.00 C ATOM 619 CD2 LEU A 39 -3.984 -4.928 -5.837 1.00 0.00 C ATOM 0 H LEU A 39 -0.829 -2.450 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.601 -1.674 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.858 -2.501 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.604 -2.528 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.083 -4.431 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.974 -6.013 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.986 -4.556 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.583 -4.698 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.859 -6.002 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.582 -4.742 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.491 -4.510 -6.707 1.00 0.00 H new ATOM 631 N ILE A 40 -2.185 0.140 -5.399 1.00 0.00 N ATOM 632 CA ILE A 40 -1.228 1.160 -4.959 1.00 0.00 C ATOM 633 C ILE A 40 -1.740 1.432 -3.511 1.00 0.00 C ATOM 634 O ILE A 40 -2.577 2.284 -3.252 1.00 0.00 O ATOM 635 CB ILE A 40 -1.184 2.328 -6.000 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.189 3.017 -6.130 1.00 0.00 C ATOM 637 CG2 ILE A 40 -2.119 3.459 -5.629 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.445 3.466 -7.592 1.00 0.00 C ATOM 0 H ILE A 40 -3.123 0.162 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.168 0.910 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.459 1.825 -6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.231 3.881 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.976 2.333 -5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.054 4.246 -6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.142 3.085 -5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.835 3.861 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.420 3.949 -7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.426 2.596 -8.248 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.330 4.169 -7.898 1.00 0.00 H new ATOM 650 N ARG A 41 -1.255 0.573 -2.587 1.00 0.00 N ATOM 651 CA ARG A 41 -1.662 0.639 -1.191 1.00 0.00 C ATOM 652 C ARG A 41 -0.972 1.822 -0.499 1.00 0.00 C ATOM 653 O ARG A 41 -0.349 2.638 -1.163 1.00 0.00 O ATOM 654 CB ARG A 41 -1.373 -0.736 -0.555 1.00 0.00 C ATOM 655 CG ARG A 41 0.102 -1.111 -0.351 1.00 0.00 C ATOM 656 CD ARG A 41 0.679 -0.587 0.971 1.00 0.00 C ATOM 657 NE ARG A 41 1.891 -1.329 1.297 1.00 0.00 N ATOM 658 CZ ARG A 41 2.706 -0.973 2.310 1.00 0.00 C ATOM 659 NH1 ARG A 41 2.412 0.046 3.112 1.00 0.00 N ATOM 660 NH2 ARG A 41 3.822 -1.661 2.515 1.00 0.00 N ATOM 0 H ARG A 41 -0.584 -0.167 -2.795 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.729 0.832 -1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.869 -0.772 0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.835 -1.502 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.202 -2.196 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.689 -0.715 -1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.902 0.477 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.054 -0.697 1.770 1.00 0.00 H new ATOM 0 HE ARG A 41 2.131 -2.148 0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.554 0.578 2.967 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.045 0.296 3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.054 -2.448 1.910 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.448 -1.402 3.278 1.00 0.00 H new ATOM 674 N GLU A 42 -1.110 1.903 0.845 1.00 0.00 N ATOM 675 CA GLU A 42 -0.420 3.018 1.515 1.00 0.00 C ATOM 676 C GLU A 42 0.003 2.699 2.946 1.00 0.00 C ATOM 677 O GLU A 42 -0.270 1.648 3.514 1.00 0.00 O ATOM 678 CB GLU A 42 -1.248 4.320 1.464 1.00 0.00 C ATOM 679 CG GLU A 42 -2.434 4.357 2.419 1.00 0.00 C ATOM 680 CD GLU A 42 -3.428 5.465 2.029 1.00 0.00 C ATOM 681 OE1 GLU A 42 -3.908 5.435 0.900 1.00 0.00 O ATOM 682 OE2 GLU A 42 -3.722 6.336 2.846 1.00 0.00 O ATOM 0 H GLU A 42 -1.644 1.269 1.440 1.00 0.00 H new ATOM 0 HA GLU A 42 0.498 3.173 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.592 5.161 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.613 4.463 0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.940 3.392 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.080 4.524 3.436 1.00 0.00 H new ATOM 689 N SER A 43 0.745 3.712 3.439 1.00 0.00 N ATOM 690 CA SER A 43 1.264 3.759 4.790 1.00 0.00 C ATOM 691 C SER A 43 0.293 4.682 5.547 1.00 0.00 C ATOM 692 O SER A 43 0.162 5.857 5.230 1.00 0.00 O ATOM 693 CB SER A 43 2.694 4.362 4.722 1.00 0.00 C ATOM 694 OG SER A 43 3.513 4.475 5.953 1.00 0.00 O ATOM 0 H SER A 43 0.996 4.530 2.884 1.00 0.00 H new ATOM 0 HA SER A 43 1.334 2.789 5.282 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.263 3.766 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.603 5.363 4.301 1.00 0.00 H new ATOM 0 HG SER A 43 3.076 5.087 6.581 1.00 0.00 H new ATOM 700 N GLU A 44 -0.388 4.099 6.546 1.00 0.00 N ATOM 701 CA GLU A 44 -1.401 4.836 7.303 1.00 0.00 C ATOM 702 C GLU A 44 -0.840 5.697 8.464 1.00 0.00 C ATOM 703 O GLU A 44 -1.490 5.904 9.481 1.00 0.00 O ATOM 704 CB GLU A 44 -2.443 3.817 7.767 1.00 0.00 C ATOM 705 CG GLU A 44 -1.876 2.548 8.440 1.00 0.00 C ATOM 706 CD GLU A 44 -0.977 2.822 9.658 1.00 0.00 C ATOM 707 OE1 GLU A 44 -1.501 2.965 10.762 1.00 0.00 O ATOM 708 OE2 GLU A 44 0.243 2.874 9.486 1.00 0.00 O ATOM 0 H GLU A 44 -0.255 3.132 6.842 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.854 5.584 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.119 4.308 8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.040 3.515 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.707 1.915 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.305 1.984 7.702 1.00 0.00 H new ATOM 715 N SER A 45 0.386 6.193 8.231 1.00 0.00 N ATOM 716 CA SER A 45 1.119 7.026 9.176 1.00 0.00 C ATOM 717 C SER A 45 1.436 8.406 8.573 1.00 0.00 C ATOM 718 O SER A 45 1.531 9.406 9.275 1.00 0.00 O ATOM 719 CB SER A 45 2.475 6.315 9.407 1.00 0.00 C ATOM 720 OG SER A 45 3.312 6.013 8.214 1.00 0.00 O ATOM 0 H SER A 45 0.897 6.019 7.365 1.00 0.00 H new ATOM 0 HA SER A 45 0.530 7.162 10.083 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.066 6.933 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.277 5.376 9.924 1.00 0.00 H new ATOM 0 HG SER A 45 4.137 5.567 8.498 1.00 0.00 H new ATOM 726 N ASN A 46 1.612 8.388 7.237 1.00 0.00 N ATOM 727 CA ASN A 46 1.960 9.571 6.445 1.00 0.00 C ATOM 728 C ASN A 46 0.769 10.073 5.615 1.00 0.00 C ATOM 729 O ASN A 46 -0.283 9.453 5.523 1.00 0.00 O ATOM 730 CB ASN A 46 3.147 9.261 5.526 1.00 0.00 C ATOM 731 CG ASN A 46 3.049 7.843 5.032 1.00 0.00 C ATOM 732 OD1 ASN A 46 2.109 7.475 4.347 1.00 0.00 O ATOM 733 ND2 ASN A 46 4.098 7.101 5.422 1.00 0.00 N ATOM 0 H ASN A 46 1.514 7.541 6.678 1.00 0.00 H new ATOM 0 HA ASN A 46 2.237 10.363 7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.156 9.951 4.682 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.084 9.405 6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.162 6.122 5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.831 7.516 5.998 1.00 0.00 H new ATOM 740 N LYS A 47 1.052 11.249 5.010 1.00 0.00 N ATOM 741 CA LYS A 47 0.127 11.993 4.175 1.00 0.00 C ATOM 742 C LYS A 47 0.335 11.814 2.665 1.00 0.00 C ATOM 743 O LYS A 47 0.532 12.768 1.922 1.00 0.00 O ATOM 744 CB LYS A 47 0.088 13.463 4.611 1.00 0.00 C ATOM 745 CG LYS A 47 1.431 13.993 5.077 1.00 0.00 C ATOM 746 CD LYS A 47 2.523 13.872 4.012 1.00 0.00 C ATOM 747 CE LYS A 47 3.652 14.879 4.209 1.00 0.00 C ATOM 748 NZ LYS A 47 4.422 14.659 5.431 1.00 0.00 N ATOM 0 H LYS A 47 1.960 11.705 5.102 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.859 11.559 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.264 14.071 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.637 13.575 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.323 15.040 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.740 13.450 5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.934 12.863 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.081 14.016 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.324 14.832 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.232 15.885 4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.171 15.376 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.793 14.732 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.851 13.712 5.405 1.00 0.00 H new ATOM 762 N GLY A 48 0.239 10.538 2.258 1.00 0.00 N ATOM 763 CA GLY A 48 0.383 10.224 0.843 1.00 0.00 C ATOM 764 C GLY A 48 1.546 9.298 0.518 1.00 0.00 C ATOM 765 O GLY A 48 1.959 9.208 -0.633 1.00 0.00 O ATOM 0 H GLY A 48 0.069 9.739 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.540 9.765 0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.509 11.154 0.288 1.00 0.00 H new ATOM 769 N ALA A 49 2.083 8.637 1.575 1.00 0.00 N ATOM 770 CA ALA A 49 3.160 7.679 1.258 1.00 0.00 C ATOM 771 C ALA A 49 2.522 6.323 0.876 1.00 0.00 C ATOM 772 O ALA A 49 2.321 5.439 1.697 1.00 0.00 O ATOM 773 CB ALA A 49 4.229 7.507 2.351 1.00 0.00 C ATOM 0 H ALA A 49 1.820 8.734 2.556 1.00 0.00 H new ATOM 0 HA ALA A 49 3.714 8.099 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.974 6.783 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.713 8.465 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.758 7.151 3.267 1.00 0.00 H new ATOM 779 N PHE A 50 2.215 6.234 -0.433 1.00 0.00 N ATOM 780 CA PHE A 50 1.595 5.046 -0.998 1.00 0.00 C ATOM 781 C PHE A 50 2.703 3.976 -1.218 1.00 0.00 C ATOM 782 O PHE A 50 3.853 4.157 -0.837 1.00 0.00 O ATOM 783 CB PHE A 50 0.834 5.464 -2.286 1.00 0.00 C ATOM 784 CG PHE A 50 -0.547 6.017 -2.023 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.734 7.309 -1.549 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.671 5.244 -2.277 1.00 0.00 C ATOM 787 CE1 PHE A 50 -2.009 7.819 -1.339 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.951 5.743 -2.078 1.00 0.00 C ATOM 789 CZ PHE A 50 -3.120 7.038 -1.611 1.00 0.00 C ATOM 0 H PHE A 50 2.391 6.977 -1.109 1.00 0.00 H new ATOM 0 HA PHE A 50 0.857 4.593 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.421 6.214 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.750 4.600 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.126 7.928 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.547 4.233 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.134 8.824 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.812 5.125 -2.286 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.113 7.435 -1.460 1.00 0.00 H new ATOM 799 N SER A 51 2.300 2.854 -1.845 1.00 0.00 N ATOM 800 CA SER A 51 3.224 1.758 -2.133 1.00 0.00 C ATOM 801 C SER A 51 2.620 0.892 -3.248 1.00 0.00 C ATOM 802 O SER A 51 1.491 0.441 -3.146 1.00 0.00 O ATOM 803 CB SER A 51 3.471 0.935 -0.832 1.00 0.00 C ATOM 804 OG SER A 51 3.729 1.625 0.459 1.00 0.00 O ATOM 0 H SER A 51 1.343 2.690 -2.158 1.00 0.00 H new ATOM 0 HA SER A 51 4.187 2.138 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.601 0.295 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.321 0.280 -1.022 1.00 0.00 H new ATOM 0 HG SER A 51 4.165 1.005 1.080 1.00 0.00 H new ATOM 810 N LEU A 52 3.428 0.691 -4.303 1.00 0.00 N ATOM 811 CA LEU A 52 2.986 -0.069 -5.469 1.00 0.00 C ATOM 812 C LEU A 52 3.320 -1.569 -5.342 1.00 0.00 C ATOM 813 O LEU A 52 4.265 -1.967 -4.673 1.00 0.00 O ATOM 814 CB LEU A 52 3.634 0.645 -6.671 1.00 0.00 C ATOM 815 CG LEU A 52 3.168 0.254 -8.078 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.653 0.374 -8.216 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.863 1.150 -9.116 1.00 0.00 C ATOM 0 H LEU A 52 4.383 1.044 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 52 1.902 -0.082 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.470 1.716 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.710 0.479 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 52 3.437 -0.788 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.356 0.090 -9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.169 -0.285 -7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.351 1.404 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.532 0.872 -10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.608 2.193 -8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.943 1.022 -9.043 1.00 0.00 H new ATOM 829 N SER A 53 2.450 -2.352 -6.019 1.00 0.00 N ATOM 830 CA SER A 53 2.529 -3.811 -6.065 1.00 0.00 C ATOM 831 C SER A 53 2.227 -4.248 -7.503 1.00 0.00 C ATOM 832 O SER A 53 1.361 -3.683 -8.156 1.00 0.00 O ATOM 833 CB SER A 53 1.468 -4.424 -5.095 1.00 0.00 C ATOM 834 OG SER A 53 1.372 -3.948 -3.691 1.00 0.00 O ATOM 0 H SER A 53 1.667 -1.974 -6.552 1.00 0.00 H new ATOM 0 HA SER A 53 3.518 -4.152 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.490 -4.278 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.646 -5.499 -5.060 1.00 0.00 H new ATOM 0 HG SER A 53 1.302 -4.718 -3.089 1.00 0.00 H new ATOM 840 N VAL A 54 2.990 -5.270 -7.951 1.00 0.00 N ATOM 841 CA VAL A 54 2.822 -5.838 -9.295 1.00 0.00 C ATOM 842 C VAL A 54 3.139 -7.320 -9.184 1.00 0.00 C ATOM 843 O VAL A 54 4.041 -7.661 -8.442 1.00 0.00 O ATOM 844 CB VAL A 54 3.822 -5.267 -10.319 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.534 -5.773 -11.749 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.961 -3.756 -10.141 1.00 0.00 C ATOM 0 H VAL A 54 3.724 -5.713 -7.399 1.00 0.00 H new ATOM 0 HA VAL A 54 1.810 -5.611 -9.632 1.00 0.00 H new ATOM 0 HB VAL A 54 4.821 -5.657 -10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.262 -5.347 -12.439 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.606 -6.860 -11.772 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.530 -5.470 -12.047 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.671 -3.367 -10.871 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.991 -3.281 -10.289 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.321 -3.540 -9.135 1.00 0.00 H new ATOM 856 N LYS A 55 2.424 -8.174 -9.949 1.00 0.00 N ATOM 857 CA LYS A 55 2.727 -9.606 -9.855 1.00 0.00 C ATOM 858 C LYS A 55 3.986 -9.941 -10.699 1.00 0.00 C ATOM 859 O LYS A 55 3.845 -10.032 -11.913 1.00 0.00 O ATOM 860 CB LYS A 55 1.497 -10.282 -10.457 1.00 0.00 C ATOM 861 CG LYS A 55 1.365 -11.800 -10.326 1.00 0.00 C ATOM 862 CD LYS A 55 0.204 -12.243 -11.230 1.00 0.00 C ATOM 863 CE LYS A 55 -0.073 -13.745 -11.247 1.00 0.00 C ATOM 864 NZ LYS A 55 -0.815 -14.196 -10.077 1.00 0.00 N ATOM 0 H LYS A 55 1.681 -7.914 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 55 2.932 -9.930 -8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.615 -9.831 -10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.469 -10.037 -11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.291 -12.292 -10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.173 -12.080 -9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.701 -11.727 -10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.414 -11.917 -12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.635 -13.996 -12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.873 -14.284 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.180 -14.726 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.198 -13.373 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.597 -14.812 -10.378 1.00 0.00 H new ATOM 878 N ASP A 56 5.201 -10.133 -10.086 1.00 0.00 N ATOM 879 CA ASP A 56 6.303 -10.431 -11.025 1.00 0.00 C ATOM 880 C ASP A 56 6.255 -11.914 -11.447 1.00 0.00 C ATOM 881 O ASP A 56 6.496 -12.824 -10.666 1.00 0.00 O ATOM 882 CB ASP A 56 7.705 -10.090 -10.464 1.00 0.00 C ATOM 883 CG ASP A 56 8.569 -9.307 -11.480 1.00 0.00 C ATOM 884 OD1 ASP A 56 8.585 -9.675 -12.657 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.214 -8.335 -11.086 1.00 0.00 O ATOM 0 H ASP A 56 5.415 -10.093 -9.090 1.00 0.00 H new ATOM 0 HA ASP A 56 6.149 -9.786 -11.890 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.596 -9.501 -9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.218 -11.012 -10.188 1.00 0.00 H new ATOM 890 N ILE A 57 5.904 -12.082 -12.738 1.00 0.00 N ATOM 891 CA ILE A 57 5.835 -13.411 -13.336 1.00 0.00 C ATOM 892 C ILE A 57 7.156 -13.668 -14.078 1.00 0.00 C ATOM 893 O ILE A 57 7.454 -13.072 -15.106 1.00 0.00 O ATOM 894 CB ILE A 57 4.600 -13.548 -14.235 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.318 -13.403 -13.391 1.00 0.00 C ATOM 896 CG2 ILE A 57 4.608 -14.896 -14.986 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.044 -13.641 -14.192 1.00 0.00 C ATOM 0 H ILE A 57 5.668 -11.318 -13.372 1.00 0.00 H new ATOM 0 HA ILE A 57 5.716 -14.174 -12.567 1.00 0.00 H new ATOM 0 HB ILE A 57 4.624 -12.753 -14.980 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.355 -14.108 -12.561 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.286 -12.403 -12.958 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.721 -14.967 -15.616 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.501 -14.961 -15.608 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.607 -15.714 -14.266 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.178 -13.524 -13.541 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.986 -12.919 -15.006 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.056 -14.651 -14.603 1.00 0.00 H new ATOM 909 N THR A 58 7.903 -14.602 -13.461 1.00 0.00 N ATOM 910 CA THR A 58 9.216 -15.031 -13.926 1.00 0.00 C ATOM 911 C THR A 58 9.299 -16.558 -13.858 1.00 0.00 C ATOM 912 O THR A 58 8.435 -17.207 -13.283 1.00 0.00 O ATOM 913 CB THR A 58 10.300 -14.419 -12.988 1.00 0.00 C ATOM 914 OG1 THR A 58 11.688 -14.794 -13.261 1.00 0.00 O ATOM 915 CG2 THR A 58 9.890 -14.519 -11.483 1.00 0.00 C ATOM 0 H THR A 58 7.598 -15.081 -12.614 1.00 0.00 H new ATOM 0 HA THR A 58 9.377 -14.701 -14.952 1.00 0.00 H new ATOM 0 HB THR A 58 10.314 -13.360 -13.247 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.279 -14.353 -12.616 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.672 -14.081 -10.863 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.956 -13.980 -11.324 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.755 -15.566 -11.211 1.00 0.00 H new ATOM 923 N THR A 59 10.393 -17.102 -14.456 1.00 0.00 N ATOM 924 CA THR A 59 10.567 -18.558 -14.435 1.00 0.00 C ATOM 925 C THR A 59 10.970 -19.080 -13.039 1.00 0.00 C ATOM 926 O THR A 59 11.051 -20.285 -12.834 1.00 0.00 O ATOM 927 CB THR A 59 11.526 -19.124 -15.531 1.00 0.00 C ATOM 928 OG1 THR A 59 11.780 -20.569 -15.503 1.00 0.00 O ATOM 929 CG2 THR A 59 12.827 -18.286 -15.694 1.00 0.00 C ATOM 0 H THR A 59 11.126 -16.577 -14.932 1.00 0.00 H new ATOM 0 HA THR A 59 9.577 -18.941 -14.682 1.00 0.00 H new ATOM 0 HB THR A 59 10.941 -19.000 -16.442 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.584 -20.918 -14.609 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.451 -18.730 -16.470 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.569 -17.265 -15.976 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.373 -18.275 -14.751 1.00 0.00 H new ATOM 937 N GLN A 60 11.211 -18.136 -12.094 1.00 0.00 N ATOM 938 CA GLN A 60 11.556 -18.558 -10.733 1.00 0.00 C ATOM 939 C GLN A 60 10.272 -18.948 -9.960 1.00 0.00 C ATOM 940 O GLN A 60 10.248 -19.905 -9.195 1.00 0.00 O ATOM 941 CB GLN A 60 12.294 -17.451 -9.968 1.00 0.00 C ATOM 942 CG GLN A 60 13.793 -17.359 -10.306 1.00 0.00 C ATOM 943 CD GLN A 60 14.441 -16.122 -9.660 1.00 0.00 C ATOM 944 OE1 GLN A 60 13.782 -15.272 -9.073 1.00 0.00 O ATOM 945 NE2 GLN A 60 15.775 -16.083 -9.804 1.00 0.00 N ATOM 0 H GLN A 60 11.173 -17.128 -12.246 1.00 0.00 H new ATOM 0 HA GLN A 60 12.220 -19.419 -10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.822 -16.493 -10.187 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.182 -17.624 -8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.301 -18.259 -9.961 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.921 -17.315 -11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.256 -16.829 -10.307 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.308 -15.307 -9.410 1.00 0.00 H new ATOM 954 N GLY A 61 9.221 -18.143 -10.220 1.00 0.00 N ATOM 955 CA GLY A 61 7.934 -18.361 -9.579 1.00 0.00 C ATOM 956 C GLY A 61 7.081 -17.093 -9.627 1.00 0.00 C ATOM 957 O GLY A 61 7.562 -15.999 -9.893 1.00 0.00 O ATOM 0 H GLY A 61 9.249 -17.351 -10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.409 -19.177 -10.076 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.085 -18.664 -8.543 1.00 0.00 H new ATOM 961 N GLU A 62 5.782 -17.327 -9.345 1.00 0.00 N ATOM 962 CA GLU A 62 4.797 -16.263 -9.334 1.00 0.00 C ATOM 963 C GLU A 62 4.917 -15.468 -8.020 1.00 0.00 C ATOM 964 O GLU A 62 4.548 -15.945 -6.953 1.00 0.00 O ATOM 965 CB GLU A 62 3.415 -16.929 -9.429 1.00 0.00 C ATOM 966 CG GLU A 62 2.411 -16.034 -10.140 1.00 0.00 C ATOM 967 CD GLU A 62 1.031 -16.707 -10.228 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.332 -16.736 -9.217 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.657 -17.165 -11.308 1.00 0.00 O ATOM 0 H GLU A 62 5.406 -18.249 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 62 4.947 -15.573 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.502 -17.875 -9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.052 -17.160 -8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.323 -15.087 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.771 -15.804 -11.143 1.00 0.00 H new ATOM 976 N VAL A 63 5.461 -14.242 -8.163 1.00 0.00 N ATOM 977 CA VAL A 63 5.634 -13.363 -7.014 1.00 0.00 C ATOM 978 C VAL A 63 4.828 -12.088 -7.290 1.00 0.00 C ATOM 979 O VAL A 63 4.013 -12.010 -8.199 1.00 0.00 O ATOM 980 CB VAL A 63 7.138 -13.049 -6.800 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.977 -14.323 -6.645 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.741 -12.150 -7.897 1.00 0.00 C ATOM 0 H VAL A 63 5.780 -13.853 -9.051 1.00 0.00 H new ATOM 0 HA VAL A 63 5.276 -13.837 -6.100 1.00 0.00 H new ATOM 0 HB VAL A 63 7.177 -12.488 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.023 -14.054 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.623 -14.889 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.882 -14.933 -7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.795 -11.972 -7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.646 -12.643 -8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.210 -11.199 -7.920 1.00 0.00 H new ATOM 992 N VAL A 64 5.134 -11.114 -6.420 1.00 0.00 N ATOM 993 CA VAL A 64 4.615 -9.762 -6.471 1.00 0.00 C ATOM 994 C VAL A 64 5.882 -8.886 -6.459 1.00 0.00 C ATOM 995 O VAL A 64 6.967 -9.399 -6.684 1.00 0.00 O ATOM 996 CB VAL A 64 3.454 -9.569 -5.465 1.00 0.00 C ATOM 997 CG1 VAL A 64 3.174 -8.137 -5.026 1.00 0.00 C ATOM 998 CG2 VAL A 64 2.142 -9.983 -6.127 1.00 0.00 C ATOM 0 H VAL A 64 5.773 -11.263 -5.639 1.00 0.00 H new ATOM 0 HA VAL A 64 4.063 -9.455 -7.359 1.00 0.00 H new ATOM 0 HB VAL A 64 3.771 -10.158 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.341 -8.128 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.060 -7.724 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.920 -7.533 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.321 -9.849 -5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.968 -9.366 -7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.199 -11.030 -6.423 1.00 0.00 H new ATOM 1008 N LYS A 65 5.709 -7.576 -6.274 1.00 0.00 N ATOM 1009 CA LYS A 65 6.779 -6.592 -6.193 1.00 0.00 C ATOM 1010 C LYS A 65 6.312 -5.513 -5.225 1.00 0.00 C ATOM 1011 O LYS A 65 5.130 -5.418 -4.928 1.00 0.00 O ATOM 1012 CB LYS A 65 7.092 -5.975 -7.563 1.00 0.00 C ATOM 1013 CG LYS A 65 7.704 -6.985 -8.535 1.00 0.00 C ATOM 1014 CD LYS A 65 9.156 -7.342 -8.179 1.00 0.00 C ATOM 1015 CE LYS A 65 10.162 -6.305 -8.687 1.00 0.00 C ATOM 1016 NZ LYS A 65 11.538 -6.744 -8.473 1.00 0.00 N ATOM 0 H LYS A 65 4.783 -7.160 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 65 7.697 -7.069 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.176 -5.571 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.779 -5.139 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.101 -7.893 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.671 -6.577 -9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.249 -7.432 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.400 -8.316 -8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.997 -6.127 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.998 -5.357 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.193 -6.019 -8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.702 -6.890 -7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.701 -7.636 -8.982 1.00 0.00 H new ATOM 1030 N HIS A 66 7.293 -4.724 -4.739 1.00 0.00 N ATOM 1031 CA HIS A 66 6.977 -3.664 -3.792 1.00 0.00 C ATOM 1032 C HIS A 66 7.821 -2.417 -4.110 1.00 0.00 C ATOM 1033 O HIS A 66 9.003 -2.508 -4.416 1.00 0.00 O ATOM 1034 CB HIS A 66 7.335 -4.134 -2.372 1.00 0.00 C ATOM 1035 CG HIS A 66 6.790 -5.515 -2.093 1.00 0.00 C ATOM 1036 ND1 HIS A 66 7.549 -6.631 -2.147 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.476 -5.886 -1.763 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.723 -7.650 -1.861 1.00 0.00 C ATOM 1039 NE2 HIS A 66 5.468 -7.233 -1.623 1.00 0.00 N ATOM 0 H HIS A 66 8.280 -4.805 -4.985 1.00 0.00 H new ATOM 0 HA HIS A 66 5.916 -3.427 -3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.418 -4.138 -2.251 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.935 -3.430 -1.643 1.00 0.00 H new ATOM 0 HD1 HIS A 66 8.545 -6.688 -2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.632 -5.223 -1.644 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.031 -8.684 -1.826 1.00 0.00 H new ATOM 1047 N TYR A 67 7.130 -1.264 -4.019 1.00 0.00 N ATOM 1048 CA TYR A 67 7.733 0.050 -4.247 1.00 0.00 C ATOM 1049 C TYR A 67 7.079 0.980 -3.221 1.00 0.00 C ATOM 1050 O TYR A 67 6.092 0.614 -2.600 1.00 0.00 O ATOM 1051 CB TYR A 67 7.523 0.584 -5.685 1.00 0.00 C ATOM 1052 CG TYR A 67 7.721 -0.478 -6.732 1.00 0.00 C ATOM 1053 CD1 TYR A 67 6.711 -1.394 -6.984 1.00 0.00 C ATOM 1054 CD2 TYR A 67 8.917 -0.596 -7.425 1.00 0.00 C ATOM 1055 CE1 TYR A 67 6.892 -2.452 -7.851 1.00 0.00 C ATOM 1056 CE2 TYR A 67 9.112 -1.643 -8.321 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.102 -2.586 -8.542 1.00 0.00 C ATOM 1058 OH TYR A 67 8.331 -3.649 -9.410 1.00 0.00 O ATOM 0 H TYR A 67 6.138 -1.225 -3.785 1.00 0.00 H new ATOM 0 HA TYR A 67 8.815 -0.010 -4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.516 0.993 -5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.217 1.404 -5.869 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.758 -1.276 -6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.702 0.129 -7.268 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.103 -3.175 -7.996 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.050 -1.728 -8.850 1.00 0.00 H new ATOM 0 HH TYR A 67 9.228 -3.569 -9.796 1.00 0.00 H new ATOM 1068 N LYS A 68 7.669 2.179 -3.071 1.00 0.00 N ATOM 1069 CA LYS A 68 7.127 3.137 -2.111 1.00 0.00 C ATOM 1070 C LYS A 68 7.053 4.549 -2.717 1.00 0.00 C ATOM 1071 O LYS A 68 8.043 5.252 -2.882 1.00 0.00 O ATOM 1072 CB LYS A 68 7.862 3.027 -0.766 1.00 0.00 C ATOM 1073 CG LYS A 68 9.146 3.817 -0.666 1.00 0.00 C ATOM 1074 CD LYS A 68 10.178 3.407 -1.716 1.00 0.00 C ATOM 1075 CE LYS A 68 11.439 4.229 -1.550 1.00 0.00 C ATOM 1076 NZ LYS A 68 12.394 3.979 -2.624 1.00 0.00 N ATOM 0 H LYS A 68 8.492 2.494 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 68 6.090 2.891 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.189 3.357 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.085 1.977 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.924 4.878 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.573 3.683 0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.409 2.347 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.769 3.551 -2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.183 5.288 -1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.901 3.996 -0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.282 4.481 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.581 2.958 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.001 4.320 -3.524 1.00 0.00 H new ATOM 1090 N ILE A 69 5.809 4.899 -3.082 1.00 0.00 N ATOM 1091 CA ILE A 69 5.554 6.226 -3.615 1.00 0.00 C ATOM 1092 C ILE A 69 5.366 7.202 -2.448 1.00 0.00 C ATOM 1093 O ILE A 69 4.427 7.095 -1.676 1.00 0.00 O ATOM 1094 CB ILE A 69 4.340 6.282 -4.569 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.234 5.266 -4.300 1.00 0.00 C ATOM 1096 CG2 ILE A 69 4.625 6.470 -6.035 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.348 3.905 -4.987 1.00 0.00 C ATOM 0 H ILE A 69 4.991 4.293 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 69 6.417 6.509 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 69 3.923 7.243 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.186 5.097 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.285 5.714 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.686 6.491 -6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.156 7.410 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.240 5.645 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.497 3.284 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.357 4.043 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.271 3.416 -4.676 1.00 0.00 H new ATOM 1109 N ARG A 70 6.314 8.149 -2.375 1.00 0.00 N ATOM 1110 CA ARG A 70 6.254 9.196 -1.372 1.00 0.00 C ATOM 1111 C ARG A 70 5.268 10.237 -1.885 1.00 0.00 C ATOM 1112 O ARG A 70 4.751 10.106 -2.982 1.00 0.00 O ATOM 1113 CB ARG A 70 7.635 9.806 -1.214 1.00 0.00 C ATOM 1114 CG ARG A 70 8.597 8.794 -0.597 1.00 0.00 C ATOM 1115 CD ARG A 70 9.493 9.470 0.419 1.00 0.00 C ATOM 1116 NE ARG A 70 10.478 8.518 0.915 1.00 0.00 N ATOM 1117 CZ ARG A 70 11.560 8.895 1.624 1.00 0.00 C ATOM 1118 NH1 ARG A 70 11.790 10.173 1.898 1.00 0.00 N ATOM 1119 NH2 ARG A 70 12.408 7.971 2.055 1.00 0.00 N ATOM 0 H ARG A 70 7.120 8.202 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 70 5.935 8.814 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.010 10.128 -2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.577 10.693 -0.584 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.034 7.992 -0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.203 8.336 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.995 10.324 -0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.896 9.855 1.246 1.00 0.00 H new ATOM 0 HE ARG A 70 10.343 7.526 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.142 10.889 1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.615 10.439 2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.238 6.987 1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.230 8.245 2.593 1.00 0.00 H new ATOM 1133 N SER A 71 5.054 11.263 -1.050 1.00 0.00 N ATOM 1134 CA SER A 71 4.131 12.315 -1.423 1.00 0.00 C ATOM 1135 C SER A 71 4.812 13.668 -1.236 1.00 0.00 C ATOM 1136 O SER A 71 5.187 14.046 -0.132 1.00 0.00 O ATOM 1137 CB SER A 71 2.910 12.178 -0.485 1.00 0.00 C ATOM 1138 OG SER A 71 3.120 11.713 0.914 1.00 0.00 O ATOM 0 H SER A 71 5.499 11.377 -0.139 1.00 0.00 H new ATOM 0 HA SER A 71 3.821 12.239 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.421 13.151 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.208 11.491 -0.958 1.00 0.00 H new ATOM 0 HG SER A 71 2.811 12.403 1.538 1.00 0.00 H new ATOM 1144 N LEU A 72 4.927 14.368 -2.387 1.00 0.00 N ATOM 1145 CA LEU A 72 5.563 15.667 -2.450 1.00 0.00 C ATOM 1146 C LEU A 72 4.550 16.725 -2.844 1.00 0.00 C ATOM 1147 O LEU A 72 3.788 16.594 -3.795 1.00 0.00 O ATOM 1148 CB LEU A 72 6.699 15.640 -3.478 1.00 0.00 C ATOM 1149 CG LEU A 72 7.466 14.329 -3.511 1.00 0.00 C ATOM 1150 CD1 LEU A 72 7.928 13.899 -2.109 1.00 0.00 C ATOM 1151 CD2 LEU A 72 6.716 13.254 -4.323 1.00 0.00 C ATOM 0 H LEU A 72 4.577 14.034 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 72 5.968 15.908 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.285 15.833 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.394 16.451 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 72 8.396 14.482 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.472 12.957 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.580 14.665 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.059 13.769 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.294 12.330 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.741 13.071 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.582 13.600 -5.348 1.00 0.00 H new ATOM 1163 N ASP A 73 4.639 17.787 -2.033 1.00 0.00 N ATOM 1164 CA ASP A 73 3.792 18.959 -2.232 1.00 0.00 C ATOM 1165 C ASP A 73 4.133 19.676 -3.555 1.00 0.00 C ATOM 1166 O ASP A 73 3.298 20.320 -4.179 1.00 0.00 O ATOM 1167 CB ASP A 73 3.972 19.938 -1.058 1.00 0.00 C ATOM 1168 CG ASP A 73 5.449 20.291 -0.788 1.00 0.00 C ATOM 1169 OD1 ASP A 73 6.123 19.523 -0.100 1.00 0.00 O ATOM 1170 OD2 ASP A 73 5.908 21.325 -1.272 1.00 0.00 O ATOM 0 H ASP A 73 5.282 17.855 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 73 2.756 18.623 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.418 20.853 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.538 19.501 -0.158 1.00 0.00 H new ATOM 1175 N ASN A 74 5.418 19.490 -3.922 1.00 0.00 N ATOM 1176 CA ASN A 74 6.002 20.082 -5.114 1.00 0.00 C ATOM 1177 C ASN A 74 6.319 19.052 -6.222 1.00 0.00 C ATOM 1178 O ASN A 74 6.924 19.399 -7.230 1.00 0.00 O ATOM 1179 CB ASN A 74 7.294 20.793 -4.677 1.00 0.00 C ATOM 1180 CG ASN A 74 8.270 19.838 -3.958 1.00 0.00 C ATOM 1181 OD1 ASN A 74 8.892 18.976 -4.562 1.00 0.00 O ATOM 1182 ND2 ASN A 74 8.351 20.039 -2.634 1.00 0.00 N ATOM 0 H ASN A 74 6.072 18.919 -3.387 1.00 0.00 H new ATOM 0 HA ASN A 74 5.278 20.770 -5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.785 21.221 -5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.044 21.622 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.962 19.452 -2.065 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.802 20.779 -2.196 1.00 0.00 H new ATOM 1189 N GLY A 75 5.896 17.791 -6.001 1.00 0.00 N ATOM 1190 CA GLY A 75 6.219 16.788 -7.021 1.00 0.00 C ATOM 1191 C GLY A 75 5.396 15.495 -7.010 1.00 0.00 C ATOM 1192 O GLY A 75 5.875 14.458 -7.436 1.00 0.00 O ATOM 0 H GLY A 75 5.371 17.464 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.107 17.253 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.270 16.521 -6.913 1.00 0.00 H new ATOM 1196 N GLY A 76 4.157 15.586 -6.503 1.00 0.00 N ATOM 1197 CA GLY A 76 3.234 14.460 -6.499 1.00 0.00 C ATOM 1198 C GLY A 76 3.668 13.203 -5.750 1.00 0.00 C ATOM 1199 O GLY A 76 3.361 13.035 -4.579 1.00 0.00 O ATOM 0 H GLY A 76 3.777 16.438 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.290 14.799 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.034 14.184 -7.534 1.00 0.00 H new ATOM 1203 N TYR A 77 4.374 12.324 -6.513 1.00 0.00 N ATOM 1204 CA TYR A 77 4.825 11.059 -5.947 1.00 0.00 C ATOM 1205 C TYR A 77 6.157 10.659 -6.570 1.00 0.00 C ATOM 1206 O TYR A 77 6.409 10.866 -7.750 1.00 0.00 O ATOM 1207 CB TYR A 77 3.827 9.908 -6.210 1.00 0.00 C ATOM 1208 CG TYR A 77 2.467 10.139 -5.617 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.515 10.870 -6.303 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.140 9.606 -4.387 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.239 11.067 -5.788 1.00 0.00 C ATOM 1212 CE2 TYR A 77 0.887 9.808 -3.830 1.00 0.00 C ATOM 1213 CZ TYR A 77 -0.092 10.522 -4.538 1.00 0.00 C ATOM 1214 OH TYR A 77 -1.373 10.686 -4.017 1.00 0.00 O ATOM 0 H TYR A 77 4.628 12.476 -7.489 1.00 0.00 H new ATOM 0 HA TYR A 77 4.915 11.214 -4.872 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.725 9.767 -7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.238 8.983 -5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.769 11.298 -7.262 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.872 9.022 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.491 11.635 -6.345 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.664 9.415 -2.849 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.430 10.244 -3.144 1.00 0.00 H new ATOM 1224 N TYR A 78 6.984 10.049 -5.682 1.00 0.00 N ATOM 1225 CA TYR A 78 8.294 9.562 -6.138 1.00 0.00 C ATOM 1226 C TYR A 78 8.629 8.185 -5.523 1.00 0.00 C ATOM 1227 O TYR A 78 8.554 7.979 -4.318 1.00 0.00 O ATOM 1228 CB TYR A 78 9.429 10.597 -5.938 1.00 0.00 C ATOM 1229 CG TYR A 78 10.143 10.607 -4.604 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.133 9.672 -4.326 1.00 0.00 C ATOM 1231 CD2 TYR A 78 9.872 11.574 -3.644 1.00 0.00 C ATOM 1232 CE1 TYR A 78 11.847 9.695 -3.139 1.00 0.00 C ATOM 1233 CE2 TYR A 78 10.585 11.621 -2.455 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.599 10.694 -2.196 1.00 0.00 C ATOM 1235 OH TYR A 78 12.345 10.769 -1.024 1.00 0.00 O ATOM 0 H TYR A 78 6.775 9.892 -4.696 1.00 0.00 H new ATOM 0 HA TYR A 78 8.219 9.423 -7.216 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.174 10.432 -6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.011 11.590 -6.102 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.352 8.906 -5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.094 12.301 -3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.595 8.941 -2.943 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.355 12.381 -1.723 1.00 0.00 H new ATOM 0 HH TYR A 78 12.035 11.527 -0.487 1.00 0.00 H new ATOM 1245 N ILE A 79 9.006 7.269 -6.443 1.00 0.00 N ATOM 1246 CA ILE A 79 9.412 5.884 -6.137 1.00 0.00 C ATOM 1247 C ILE A 79 10.951 5.758 -6.121 1.00 0.00 C ATOM 1248 O ILE A 79 11.524 4.853 -5.528 1.00 0.00 O ATOM 1249 CB ILE A 79 8.634 4.800 -6.933 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.159 5.303 -8.312 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.544 4.098 -6.111 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.036 4.461 -8.932 1.00 0.00 C ATOM 0 H ILE A 79 9.036 7.480 -7.441 1.00 0.00 H new ATOM 0 HA ILE A 79 9.095 5.655 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 79 9.355 4.011 -7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.814 6.332 -8.213 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.009 5.316 -8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.043 3.355 -6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.997 3.607 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.817 4.834 -5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.759 4.880 -9.899 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.381 3.436 -9.066 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.169 4.468 -8.272 1.00 0.00 H new ATOM 1264 N SER A 80 11.561 6.759 -6.776 1.00 0.00 N ATOM 1265 CA SER A 80 12.998 6.946 -6.907 1.00 0.00 C ATOM 1266 C SER A 80 13.068 8.485 -7.032 1.00 0.00 C ATOM 1267 O SER A 80 12.287 9.053 -7.783 1.00 0.00 O ATOM 1268 CB SER A 80 13.459 6.069 -8.108 1.00 0.00 C ATOM 1269 OG SER A 80 14.742 6.299 -8.800 1.00 0.00 O ATOM 0 H SER A 80 11.031 7.491 -7.249 1.00 0.00 H new ATOM 0 HA SER A 80 13.672 6.629 -6.112 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.473 5.037 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.678 6.137 -8.865 1.00 0.00 H new ATOM 0 HG SER A 80 14.846 5.644 -9.522 1.00 0.00 H new ATOM 1275 N PRO A 81 13.970 9.190 -6.282 1.00 0.00 N ATOM 1276 CA PRO A 81 13.914 10.653 -6.289 1.00 0.00 C ATOM 1277 C PRO A 81 14.126 11.403 -7.607 1.00 0.00 C ATOM 1278 O PRO A 81 13.636 12.516 -7.749 1.00 0.00 O ATOM 1279 CB PRO A 81 14.875 11.084 -5.174 1.00 0.00 C ATOM 1280 CG PRO A 81 15.261 9.807 -4.427 1.00 0.00 C ATOM 1281 CD PRO A 81 15.008 8.667 -5.393 1.00 0.00 C ATOM 0 HA PRO A 81 12.878 10.948 -6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.756 11.575 -5.588 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.398 11.798 -4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.307 9.835 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.667 9.690 -3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.910 8.401 -5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.675 7.768 -4.874 1.00 0.00 H new ATOM 1289 N ARG A 82 14.820 10.758 -8.571 1.00 0.00 N ATOM 1290 CA ARG A 82 15.000 11.442 -9.865 1.00 0.00 C ATOM 1291 C ARG A 82 13.798 11.181 -10.803 1.00 0.00 C ATOM 1292 O ARG A 82 13.625 11.878 -11.793 1.00 0.00 O ATOM 1293 CB ARG A 82 16.360 11.184 -10.543 1.00 0.00 C ATOM 1294 CG ARG A 82 16.711 9.713 -10.765 1.00 0.00 C ATOM 1295 CD ARG A 82 17.533 9.156 -9.594 1.00 0.00 C ATOM 1296 NE ARG A 82 17.316 7.721 -9.457 1.00 0.00 N ATOM 1297 CZ ARG A 82 17.874 7.001 -8.462 1.00 0.00 C ATOM 1298 NH1 ARG A 82 18.645 7.574 -7.547 1.00 0.00 N ATOM 1299 NH2 ARG A 82 17.655 5.695 -8.397 1.00 0.00 N ATOM 0 H ARG A 82 15.237 9.831 -8.489 1.00 0.00 H new ATOM 0 HA ARG A 82 15.022 12.508 -9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.369 11.692 -11.507 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.142 11.639 -9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.796 9.131 -10.880 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.275 9.607 -11.692 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.592 9.356 -9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.252 9.662 -8.671 1.00 0.00 H new ATOM 0 HE ARG A 82 16.722 7.245 -10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.825 8.577 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.057 7.011 -6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.068 5.241 -9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.074 5.144 -7.647 1.00 0.00 H new ATOM 1313 N ILE A 83 12.988 10.157 -10.441 1.00 0.00 N ATOM 1314 CA ILE A 83 11.776 9.825 -11.194 1.00 0.00 C ATOM 1315 C ILE A 83 10.549 10.053 -10.289 1.00 0.00 C ATOM 1316 O ILE A 83 10.066 9.207 -9.537 1.00 0.00 O ATOM 1317 CB ILE A 83 11.766 8.443 -11.829 1.00 0.00 C ATOM 1318 CG1 ILE A 83 12.111 7.357 -10.834 1.00 0.00 C ATOM 1319 CG2 ILE A 83 12.645 8.314 -13.070 1.00 0.00 C ATOM 1320 CD1 ILE A 83 11.184 6.192 -11.075 1.00 0.00 C ATOM 0 H ILE A 83 13.159 9.555 -9.635 1.00 0.00 H new ATOM 0 HA ILE A 83 11.745 10.496 -12.053 1.00 0.00 H new ATOM 0 HB ILE A 83 10.737 8.308 -12.162 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.150 7.048 -10.952 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.002 7.726 -9.814 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.579 7.298 -13.458 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.305 9.016 -13.831 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.679 8.536 -12.808 1.00 0.00 H new ATOM 0 HD11 ILE A 83 11.412 5.393 -10.369 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.152 6.514 -10.937 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.317 5.826 -12.093 1.00 0.00 H new ATOM 1332 N THR A 84 10.123 11.306 -10.483 1.00 0.00 N ATOM 1333 CA THR A 84 9.001 11.922 -9.818 1.00 0.00 C ATOM 1334 C THR A 84 7.878 12.076 -10.861 1.00 0.00 C ATOM 1335 O THR A 84 8.115 12.080 -12.063 1.00 0.00 O ATOM 1336 CB THR A 84 9.548 13.293 -9.334 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.973 13.432 -9.004 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.671 13.812 -8.192 1.00 0.00 C ATOM 0 H THR A 84 10.582 11.936 -11.141 1.00 0.00 H new ATOM 0 HA THR A 84 8.594 11.358 -8.979 1.00 0.00 H new ATOM 0 HB THR A 84 9.487 13.906 -10.234 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.155 14.352 -8.719 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.052 14.774 -7.849 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.647 13.932 -8.545 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.689 13.100 -7.367 1.00 0.00 H new ATOM 1346 N PHE A 85 6.656 12.200 -10.311 1.00 0.00 N ATOM 1347 CA PHE A 85 5.447 12.293 -11.140 1.00 0.00 C ATOM 1348 C PHE A 85 4.470 13.248 -10.425 1.00 0.00 C ATOM 1349 O PHE A 85 4.380 13.205 -9.212 1.00 0.00 O ATOM 1350 CB PHE A 85 4.867 10.868 -11.303 1.00 0.00 C ATOM 1351 CG PHE A 85 5.899 9.874 -11.800 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.135 9.700 -13.162 1.00 0.00 C ATOM 1353 CD2 PHE A 85 6.638 9.109 -10.895 1.00 0.00 C ATOM 1354 CE1 PHE A 85 7.096 8.795 -13.606 1.00 0.00 C ATOM 1355 CE2 PHE A 85 7.596 8.204 -11.336 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.833 8.049 -12.694 1.00 0.00 C ATOM 0 H PHE A 85 6.483 12.238 -9.306 1.00 0.00 H new ATOM 0 HA PHE A 85 5.647 12.687 -12.136 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.472 10.528 -10.346 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.030 10.897 -12.001 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.567 10.272 -13.881 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.462 9.223 -9.835 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.269 8.672 -14.665 1.00 0.00 H new ATOM 0 HE2 PHE A 85 8.157 7.621 -10.621 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.584 7.354 -13.040 1.00 0.00 H new ATOM 1366 N PRO A 86 3.718 14.103 -11.179 1.00 0.00 N ATOM 1367 CA PRO A 86 2.802 15.082 -10.563 1.00 0.00 C ATOM 1368 C PRO A 86 1.620 14.464 -9.785 1.00 0.00 C ATOM 1369 O PRO A 86 0.933 15.140 -9.030 1.00 0.00 O ATOM 1370 CB PRO A 86 2.296 15.902 -11.764 1.00 0.00 C ATOM 1371 CG PRO A 86 2.474 14.980 -12.974 1.00 0.00 C ATOM 1372 CD PRO A 86 3.699 14.132 -12.641 1.00 0.00 C ATOM 0 HA PRO A 86 3.321 15.665 -9.802 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.252 16.188 -11.635 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.867 16.823 -11.882 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.593 14.358 -13.130 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.626 15.553 -13.889 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.617 13.129 -13.060 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.611 14.572 -13.044 1.00 0.00 H new ATOM 1380 N THR A 87 1.453 13.148 -10.003 1.00 0.00 N ATOM 1381 CA THR A 87 0.425 12.343 -9.355 1.00 0.00 C ATOM 1382 C THR A 87 0.732 10.901 -9.724 1.00 0.00 C ATOM 1383 O THR A 87 1.518 10.628 -10.625 1.00 0.00 O ATOM 1384 CB THR A 87 -1.028 12.618 -9.827 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.063 11.693 -9.360 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.067 12.922 -11.341 1.00 0.00 C ATOM 0 H THR A 87 2.040 12.615 -10.644 1.00 0.00 H new ATOM 0 HA THR A 87 0.456 12.578 -8.291 1.00 0.00 H new ATOM 0 HB THR A 87 -1.330 13.523 -9.299 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.806 11.683 -9.999 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.096 13.111 -11.648 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.458 13.801 -11.551 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.675 12.068 -11.894 1.00 0.00 H new ATOM 1394 N LEU A 88 0.049 9.988 -8.999 1.00 0.00 N ATOM 1395 CA LEU A 88 0.267 8.596 -9.323 1.00 0.00 C ATOM 1396 C LEU A 88 -0.284 8.302 -10.707 1.00 0.00 C ATOM 1397 O LEU A 88 0.277 7.475 -11.391 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.499 7.597 -8.451 1.00 0.00 C ATOM 1399 CG LEU A 88 -0.237 7.664 -6.970 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -1.202 6.708 -6.308 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.170 7.237 -6.604 1.00 0.00 C ATOM 0 H LEU A 88 -0.607 10.184 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 88 1.343 8.472 -9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.566 7.747 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.261 6.590 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.362 8.696 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.047 6.724 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.225 7.010 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.031 5.699 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.302 7.305 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.333 6.208 -6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.889 7.890 -7.099 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.370 8.992 -11.126 1.00 0.00 N ATOM 1414 CA GLN A 89 -1.928 8.586 -12.424 1.00 0.00 C ATOM 1415 C GLN A 89 -1.000 8.844 -13.627 1.00 0.00 C ATOM 1416 O GLN A 89 -1.070 8.157 -14.634 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.396 8.974 -12.542 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.687 10.343 -13.115 1.00 0.00 C ATOM 1419 CD GLN A 89 -4.718 11.113 -12.290 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -4.213 11.546 -11.132 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -5.865 11.291 -12.673 1.00 0.00 N flip ATOM 0 H GLN A 89 -1.836 9.757 -10.638 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.956 7.497 -12.463 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.897 8.231 -13.162 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.845 8.916 -11.550 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.762 10.918 -13.164 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.050 10.236 -14.137 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.164 10.922 -13.576 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.523 11.808 -12.090 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.110 9.835 -13.432 1.00 0.00 N ATOM 1431 CA ALA A 90 0.905 10.184 -14.439 1.00 0.00 C ATOM 1432 C ALA A 90 2.110 9.200 -14.381 1.00 0.00 C ATOM 1433 O ALA A 90 2.989 9.178 -15.232 1.00 0.00 O ATOM 1434 CB ALA A 90 1.410 11.607 -14.155 1.00 0.00 C ATOM 0 H ALA A 90 -0.075 10.406 -12.588 1.00 0.00 H new ATOM 0 HA ALA A 90 0.454 10.122 -15.429 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.163 11.880 -14.894 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.576 12.307 -14.211 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.849 11.645 -13.158 1.00 0.00 H new ATOM 1440 N LEU A 91 2.074 8.399 -13.305 1.00 0.00 N ATOM 1441 CA LEU A 91 3.027 7.354 -12.964 1.00 0.00 C ATOM 1442 C LEU A 91 2.472 6.007 -13.487 1.00 0.00 C ATOM 1443 O LEU A 91 3.205 5.180 -14.008 1.00 0.00 O ATOM 1444 CB LEU A 91 3.259 7.516 -11.441 1.00 0.00 C ATOM 1445 CG LEU A 91 3.603 6.318 -10.544 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.065 6.826 -9.175 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.394 5.423 -10.279 1.00 0.00 C ATOM 0 H LEU A 91 1.329 8.476 -12.613 1.00 0.00 H new ATOM 0 HA LEU A 91 4.010 7.408 -13.432 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.063 8.242 -11.320 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.356 7.968 -11.031 1.00 0.00 H new ATOM 0 HG LEU A 91 4.374 5.750 -11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.310 5.978 -8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.947 7.454 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.267 7.408 -8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.690 4.591 -9.640 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.615 6.002 -9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.013 5.037 -11.224 1.00 0.00 H new ATOM 1459 N VAL A 92 1.131 5.861 -13.376 1.00 0.00 N ATOM 1460 CA VAL A 92 0.406 4.681 -13.816 1.00 0.00 C ATOM 1461 C VAL A 92 0.163 4.748 -15.351 1.00 0.00 C ATOM 1462 O VAL A 92 -0.311 3.790 -15.942 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.917 4.563 -12.996 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.410 3.142 -12.844 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.832 5.010 -11.534 1.00 0.00 C ATOM 0 H VAL A 92 0.529 6.578 -12.971 1.00 0.00 H new ATOM 0 HA VAL A 92 0.990 3.779 -13.632 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.565 5.206 -13.591 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.333 3.137 -12.264 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.599 2.715 -13.829 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.655 2.548 -12.330 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.805 4.886 -11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.093 4.404 -11.011 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.538 6.059 -11.491 1.00 0.00 H new ATOM 1475 N GLN A 93 0.531 5.917 -15.951 1.00 0.00 N ATOM 1476 CA GLN A 93 0.383 6.174 -17.385 1.00 0.00 C ATOM 1477 C GLN A 93 1.683 5.708 -18.073 1.00 0.00 C ATOM 1478 O GLN A 93 1.680 4.992 -19.068 1.00 0.00 O ATOM 1479 CB GLN A 93 0.045 7.652 -17.726 1.00 0.00 C ATOM 1480 CG GLN A 93 1.225 8.610 -17.982 1.00 0.00 C ATOM 1481 CD GLN A 93 0.781 10.062 -18.217 1.00 0.00 C ATOM 1482 OE1 GLN A 93 1.358 10.999 -17.684 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -0.263 10.196 -19.051 1.00 0.00 N ATOM 0 H GLN A 93 0.938 6.699 -15.438 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.475 5.614 -17.756 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.590 7.656 -18.612 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.548 8.059 -16.907 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.904 8.577 -17.130 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.786 8.263 -18.850 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.698 9.369 -19.461 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.621 11.124 -19.274 1.00 0.00 H new ATOM 1492 N HIS A 94 2.794 6.161 -17.433 1.00 0.00 N ATOM 1493 CA HIS A 94 4.157 5.860 -17.857 1.00 0.00 C ATOM 1494 C HIS A 94 4.359 4.340 -17.893 1.00 0.00 C ATOM 1495 O HIS A 94 4.865 3.775 -18.857 1.00 0.00 O ATOM 1496 CB HIS A 94 5.123 6.527 -16.850 1.00 0.00 C ATOM 1497 CG HIS A 94 6.575 6.123 -17.050 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.454 6.006 -16.030 1.00 0.00 N ATOM 1499 CD2 HIS A 94 7.249 5.808 -18.242 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.623 5.634 -16.579 1.00 0.00 C ATOM 1501 NE2 HIS A 94 8.528 5.506 -17.916 1.00 0.00 N ATOM 0 H HIS A 94 2.751 6.750 -16.602 1.00 0.00 H new ATOM 0 HA HIS A 94 4.351 6.245 -18.858 1.00 0.00 H new ATOM 0 HB2 HIS A 94 5.039 7.610 -16.940 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.817 6.266 -15.837 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.825 5.807 -19.235 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.528 5.459 -16.016 1.00 0.00 H new ATOM 0 HE2 HIS A 94 9.273 5.235 -18.557 1.00 0.00 H new ATOM 1509 N TYR A 95 3.898 3.732 -16.780 1.00 0.00 N ATOM 1510 CA TYR A 95 4.030 2.293 -16.650 1.00 0.00 C ATOM 1511 C TYR A 95 2.998 1.519 -17.471 1.00 0.00 C ATOM 1512 O TYR A 95 3.172 0.328 -17.653 1.00 0.00 O ATOM 1513 CB TYR A 95 4.120 1.886 -15.180 1.00 0.00 C ATOM 1514 CG TYR A 95 5.293 2.557 -14.497 1.00 0.00 C ATOM 1515 CD1 TYR A 95 6.569 2.569 -15.062 1.00 0.00 C ATOM 1516 CD2 TYR A 95 5.107 3.181 -13.275 1.00 0.00 C ATOM 1517 CE1 TYR A 95 7.636 3.192 -14.425 1.00 0.00 C ATOM 1518 CE2 TYR A 95 6.159 3.804 -12.624 1.00 0.00 C ATOM 1519 CZ TYR A 95 7.442 3.797 -13.177 1.00 0.00 C ATOM 1520 OH TYR A 95 8.503 4.370 -12.489 1.00 0.00 O ATOM 0 H TYR A 95 3.450 4.205 -15.995 1.00 0.00 H new ATOM 0 HA TYR A 95 4.978 1.999 -17.100 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.196 2.154 -14.668 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.223 0.803 -15.105 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.731 2.084 -16.014 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.126 3.182 -12.822 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.610 3.209 -14.891 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.986 4.300 -11.680 1.00 0.00 H new ATOM 0 HH TYR A 95 8.180 4.743 -11.642 1.00 0.00 H new ATOM 1530 N SER A 96 1.940 2.197 -17.978 1.00 0.00 N ATOM 1531 CA SER A 96 1.018 1.422 -18.832 1.00 0.00 C ATOM 1532 C SER A 96 1.677 1.085 -20.199 1.00 0.00 C ATOM 1533 O SER A 96 1.256 0.168 -20.893 1.00 0.00 O ATOM 1534 CB SER A 96 -0.288 2.224 -19.146 1.00 0.00 C ATOM 1535 OG SER A 96 -1.271 2.576 -18.094 1.00 0.00 O ATOM 0 H SER A 96 1.718 3.182 -17.830 1.00 0.00 H new ATOM 0 HA SER A 96 0.782 0.514 -18.277 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.023 3.160 -19.610 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.829 1.657 -19.904 1.00 0.00 H new ATOM 0 HG SER A 96 -0.868 3.216 -17.471 1.00 0.00 H new ATOM 1541 N LYS A 97 2.728 1.868 -20.528 1.00 0.00 N ATOM 1542 CA LYS A 97 3.442 1.725 -21.798 1.00 0.00 C ATOM 1543 C LYS A 97 4.570 0.676 -21.813 1.00 0.00 C ATOM 1544 O LYS A 97 4.747 -0.073 -22.766 1.00 0.00 O ATOM 1545 CB LYS A 97 4.003 3.100 -22.163 1.00 0.00 C ATOM 1546 CG LYS A 97 2.885 4.130 -22.301 1.00 0.00 C ATOM 1547 CD LYS A 97 1.840 3.701 -23.325 1.00 0.00 C ATOM 1548 CE LYS A 97 0.891 4.832 -23.728 1.00 0.00 C ATOM 1549 NZ LYS A 97 -0.029 4.419 -24.784 1.00 0.00 N ATOM 0 H LYS A 97 3.095 2.604 -19.925 1.00 0.00 H new ATOM 0 HA LYS A 97 2.722 1.353 -22.527 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.708 3.424 -21.397 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.558 3.033 -23.099 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.406 4.277 -21.333 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.310 5.090 -22.596 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.345 3.325 -24.215 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.258 2.875 -22.916 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.322 5.156 -22.857 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.472 5.690 -24.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.655 5.213 -25.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.513 4.133 -25.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.601 3.617 -24.452 1.00 0.00 H new ATOM 1563 N LYS A 98 5.327 0.720 -20.709 1.00 0.00 N ATOM 1564 CA LYS A 98 6.483 -0.146 -20.482 1.00 0.00 C ATOM 1565 C LYS A 98 6.846 -0.109 -18.980 1.00 0.00 C ATOM 1566 O LYS A 98 6.606 0.876 -18.298 1.00 0.00 O ATOM 1567 CB LYS A 98 7.653 0.104 -21.447 1.00 0.00 C ATOM 1568 CG LYS A 98 8.637 1.166 -20.993 1.00 0.00 C ATOM 1569 CD LYS A 98 8.043 2.574 -20.889 1.00 0.00 C ATOM 1570 CE LYS A 98 7.476 3.057 -22.218 1.00 0.00 C ATOM 1571 NZ LYS A 98 7.026 4.442 -22.132 1.00 0.00 N ATOM 0 H LYS A 98 5.149 1.367 -19.941 1.00 0.00 H new ATOM 0 HA LYS A 98 6.212 -1.172 -20.731 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.192 -0.832 -21.592 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.250 0.394 -22.417 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.038 0.881 -20.020 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.476 1.189 -21.689 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.255 2.580 -20.136 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.813 3.268 -20.550 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.236 2.967 -22.994 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.643 2.420 -22.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.383 4.648 -22.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.526 4.589 -21.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.848 5.078 -22.179 1.00 0.00 H new ATOM 1585 N GLY A 99 7.446 -1.227 -18.508 1.00 0.00 N ATOM 1586 CA GLY A 99 7.856 -1.365 -17.105 1.00 0.00 C ATOM 1587 C GLY A 99 9.306 -0.908 -16.887 1.00 0.00 C ATOM 1588 O GLY A 99 10.110 -1.564 -16.238 1.00 0.00 O ATOM 0 H GLY A 99 7.654 -2.042 -19.085 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.191 -0.777 -16.472 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.753 -2.405 -16.797 1.00 0.00 H new ATOM 1592 N ASP A 100 9.535 0.273 -17.492 1.00 0.00 N ATOM 1593 CA ASP A 100 10.769 1.044 -17.556 1.00 0.00 C ATOM 1594 C ASP A 100 11.635 0.918 -16.301 1.00 0.00 C ATOM 1595 O ASP A 100 12.704 0.320 -16.257 1.00 0.00 O ATOM 1596 CB ASP A 100 10.376 2.501 -17.884 1.00 0.00 C ATOM 1597 CG ASP A 100 11.593 3.403 -18.135 1.00 0.00 C ATOM 1598 OD1 ASP A 100 12.136 3.364 -19.238 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.979 4.134 -17.224 1.00 0.00 O ATOM 0 H ASP A 100 8.783 0.747 -17.992 1.00 0.00 H new ATOM 0 HA ASP A 100 11.413 0.645 -18.340 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.735 2.510 -18.765 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.791 2.909 -17.060 1.00 0.00 H new ATOM 1604 N GLY A 101 11.027 1.555 -15.309 1.00 0.00 N ATOM 1605 CA GLY A 101 11.552 1.675 -13.962 1.00 0.00 C ATOM 1606 C GLY A 101 10.751 0.880 -12.931 1.00 0.00 C ATOM 1607 O GLY A 101 10.694 1.249 -11.767 1.00 0.00 O ATOM 0 H GLY A 101 10.125 2.016 -15.427 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.587 1.333 -13.951 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.560 2.726 -13.674 1.00 0.00 H new ATOM 1611 N LEU A 102 10.149 -0.222 -13.430 1.00 0.00 N ATOM 1612 CA LEU A 102 9.349 -1.144 -12.635 1.00 0.00 C ATOM 1613 C LEU A 102 9.805 -2.581 -12.910 1.00 0.00 C ATOM 1614 O LEU A 102 10.773 -3.053 -12.327 1.00 0.00 O ATOM 1615 CB LEU A 102 7.854 -0.925 -12.943 1.00 0.00 C ATOM 1616 CG LEU A 102 7.223 0.262 -12.214 1.00 0.00 C ATOM 1617 CD1 LEU A 102 5.717 0.116 -12.190 1.00 0.00 C ATOM 1618 CD2 LEU A 102 7.681 0.487 -10.769 1.00 0.00 C ATOM 0 H LEU A 102 10.214 -0.489 -14.412 1.00 0.00 H new ATOM 0 HA LEU A 102 9.490 -0.957 -11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.735 -0.781 -14.017 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.306 -1.830 -12.680 1.00 0.00 H new ATOM 0 HG LEU A 102 7.560 1.125 -12.787 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.277 0.966 -11.669 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.338 0.081 -13.212 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.449 -0.805 -11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.167 1.355 -10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.445 -0.393 -10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.757 0.660 -10.751 1.00 0.00 H new ATOM 1630 N CYS A 103 9.053 -3.246 -13.813 1.00 0.00 N ATOM 1631 CA CYS A 103 9.359 -4.629 -14.145 1.00 0.00 C ATOM 1632 C CYS A 103 8.531 -5.098 -15.349 1.00 0.00 C ATOM 1633 O CYS A 103 9.050 -5.717 -16.268 1.00 0.00 O ATOM 1634 CB CYS A 103 9.082 -5.543 -12.934 1.00 0.00 C ATOM 1635 SG CYS A 103 7.506 -5.206 -12.097 1.00 0.00 S ATOM 0 H CYS A 103 8.253 -2.850 -14.307 1.00 0.00 H new ATOM 0 HA CYS A 103 10.416 -4.689 -14.405 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.090 -6.581 -13.266 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.894 -5.432 -12.215 1.00 0.00 H new ATOM 0 HG CYS A 103 7.734 -4.592 -10.974 1.00 0.00 H new ATOM 1641 N GLN A 104 7.224 -4.760 -15.293 1.00 0.00 N ATOM 1642 CA GLN A 104 6.297 -5.167 -16.334 1.00 0.00 C ATOM 1643 C GLN A 104 5.099 -4.221 -16.263 1.00 0.00 C ATOM 1644 O GLN A 104 4.392 -4.116 -15.269 1.00 0.00 O ATOM 1645 CB GLN A 104 5.796 -6.624 -16.142 1.00 0.00 C ATOM 1646 CG GLN A 104 6.901 -7.701 -16.109 1.00 0.00 C ATOM 1647 CD GLN A 104 6.346 -9.125 -16.279 1.00 0.00 C ATOM 1648 OE1 GLN A 104 5.527 -9.394 -17.150 1.00 0.00 O ATOM 1649 NE2 GLN A 104 6.840 -10.010 -15.396 1.00 0.00 N ATOM 0 H GLN A 104 6.805 -4.213 -14.541 1.00 0.00 H new ATOM 0 HA GLN A 104 6.805 -5.125 -17.297 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.231 -6.677 -15.211 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.103 -6.862 -16.949 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.623 -7.500 -16.901 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.439 -7.635 -15.163 1.00 0.00 H new ATOM 0 HE21 GLN A 104 7.521 -9.709 -14.699 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.534 -10.983 -15.423 1.00 0.00 H new ATOM 1658 N LYS A 105 4.946 -3.564 -17.423 1.00 0.00 N ATOM 1659 CA LYS A 105 3.899 -2.610 -17.729 1.00 0.00 C ATOM 1660 C LYS A 105 2.540 -3.176 -17.342 1.00 0.00 C ATOM 1661 O LYS A 105 2.325 -4.380 -17.240 1.00 0.00 O ATOM 1662 CB LYS A 105 3.986 -2.187 -19.202 1.00 0.00 C ATOM 1663 CG LYS A 105 3.294 -3.088 -20.246 1.00 0.00 C ATOM 1664 CD LYS A 105 4.274 -3.711 -21.240 1.00 0.00 C ATOM 1665 CE LYS A 105 5.347 -4.509 -20.504 1.00 0.00 C ATOM 1666 NZ LYS A 105 6.068 -5.430 -21.376 1.00 0.00 N ATOM 0 H LYS A 105 5.588 -3.699 -18.204 1.00 0.00 H new ATOM 0 HA LYS A 105 4.035 -1.705 -17.136 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.564 -1.186 -19.290 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.040 -2.113 -19.468 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.753 -3.882 -19.731 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.555 -2.501 -20.792 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.737 -4.362 -21.930 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.741 -2.929 -21.839 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.056 -3.819 -20.047 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.883 -5.072 -19.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.783 -5.944 -20.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.399 -6.109 -21.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.536 -4.895 -22.135 1.00 0.00 H new ATOM 1680 N LEU A 106 1.651 -2.203 -17.154 1.00 0.00 N ATOM 1681 CA LEU A 106 0.319 -2.539 -16.686 1.00 0.00 C ATOM 1682 C LEU A 106 -0.498 -3.230 -17.778 1.00 0.00 C ATOM 1683 O LEU A 106 -0.332 -2.976 -18.964 1.00 0.00 O ATOM 1684 CB LEU A 106 -0.416 -1.297 -16.146 1.00 0.00 C ATOM 1685 CG LEU A 106 0.477 -0.321 -15.357 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.296 0.549 -14.348 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.516 -1.026 -14.523 1.00 0.00 C ATOM 0 H LEU A 106 1.824 -1.210 -17.313 1.00 0.00 H new ATOM 0 HA LEU A 106 0.431 -3.243 -15.861 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.865 -0.763 -16.984 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.232 -1.624 -15.502 1.00 0.00 H new ATOM 0 HG LEU A 106 0.921 0.287 -16.145 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.399 1.211 -13.831 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.040 1.145 -14.877 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.795 -0.093 -13.622 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.116 -0.289 -13.989 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.023 -1.681 -13.805 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.162 -1.619 -15.171 1.00 0.00 H new ATOM 1699 N THR A 107 -1.371 -4.125 -17.286 1.00 0.00 N ATOM 1700 CA THR A 107 -2.233 -4.888 -18.179 1.00 0.00 C ATOM 1701 C THR A 107 -3.686 -4.691 -17.780 1.00 0.00 C ATOM 1702 O THR A 107 -4.477 -4.082 -18.490 1.00 0.00 O ATOM 1703 CB THR A 107 -1.830 -6.393 -18.163 1.00 0.00 C ATOM 1704 OG1 THR A 107 -2.102 -7.245 -16.998 1.00 0.00 O ATOM 1705 CG2 THR A 107 -0.347 -6.515 -18.594 1.00 0.00 C ATOM 0 H THR A 107 -1.491 -4.329 -16.294 1.00 0.00 H new ATOM 0 HA THR A 107 -2.111 -4.528 -19.200 1.00 0.00 H new ATOM 0 HB THR A 107 -2.545 -6.821 -18.866 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.805 -7.890 -17.221 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.051 -7.564 -18.587 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.226 -6.110 -19.599 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.281 -5.957 -17.900 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.966 -5.242 -16.582 1.00 0.00 N ATOM 1714 CA LEU A 108 -5.323 -5.158 -16.054 1.00 0.00 C ATOM 1715 C LEU A 108 -5.246 -4.896 -14.543 1.00 0.00 C ATOM 1716 O LEU A 108 -4.891 -5.780 -13.787 1.00 0.00 O ATOM 1717 CB LEU A 108 -6.060 -6.481 -16.259 1.00 0.00 C ATOM 1718 CG LEU A 108 -6.008 -7.060 -17.678 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -6.298 -8.563 -17.666 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.971 -6.305 -18.600 1.00 0.00 C ATOM 0 H LEU A 108 -3.294 -5.729 -15.989 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.852 -4.358 -16.572 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.645 -7.217 -15.571 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.105 -6.340 -15.982 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.000 -6.928 -18.070 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.255 -8.950 -18.684 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.554 -9.072 -17.053 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.291 -8.739 -17.253 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.922 -6.729 -19.603 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.988 -6.396 -18.217 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.690 -5.253 -18.636 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.613 -3.683 -14.089 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.541 -3.368 -12.669 1.00 0.00 C ATOM 1734 C PRO A 109 -6.621 -4.150 -11.899 1.00 0.00 C ATOM 1735 O PRO A 109 -7.803 -3.843 -11.939 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.771 -1.862 -12.630 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.567 -1.547 -13.900 1.00 0.00 C ATOM 1738 CD PRO A 109 -6.203 -2.647 -14.905 1.00 0.00 C ATOM 0 HA PRO A 109 -4.597 -3.644 -12.199 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.323 -1.571 -11.736 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.826 -1.319 -12.612 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.638 -1.540 -13.699 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.310 -0.562 -14.288 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -7.083 -3.010 -15.436 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.503 -2.284 -15.658 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.045 -5.165 -11.217 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.602 -6.209 -10.350 1.00 0.00 C ATOM 1748 C CYS A 110 -8.145 -6.277 -10.270 1.00 0.00 C ATOM 1749 O CYS A 110 -8.823 -5.278 -10.097 1.00 0.00 O ATOM 1750 CB CYS A 110 -5.990 -6.083 -8.952 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.476 -7.442 -7.865 1.00 0.00 S ATOM 0 H CYS A 110 -5.033 -5.279 -11.277 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.327 -7.153 -10.820 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -4.903 -6.058 -9.035 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.298 -5.137 -8.507 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.536 -8.545 -8.550 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.655 -7.523 -10.384 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.100 -7.741 -10.325 1.00 0.00 C ATOM 1759 C VAL A 111 -10.482 -8.027 -8.863 1.00 0.00 C ATOM 1760 O VAL A 111 -9.671 -8.471 -8.061 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.511 -8.871 -11.291 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -10.072 -10.263 -10.822 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -12.021 -8.858 -11.577 1.00 0.00 C ATOM 0 H VAL A 111 -8.097 -8.367 -10.514 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.645 -6.855 -10.652 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.977 -8.664 -12.218 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.394 -11.010 -11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.986 -10.290 -10.730 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.524 -10.480 -9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.269 -9.669 -12.261 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.569 -8.990 -10.644 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.298 -7.905 -12.029 1.00 0.00 H new ATOM 1773 N ASN A 112 -11.766 -7.728 -8.574 1.00 0.00 N ATOM 1774 CA ASN A 112 -12.294 -7.942 -7.228 1.00 0.00 C ATOM 1775 C ASN A 112 -12.587 -9.435 -6.993 1.00 0.00 C ATOM 1776 O ASN A 112 -12.086 -10.048 -6.060 1.00 0.00 O ATOM 1777 CB ASN A 112 -13.540 -7.057 -7.045 1.00 0.00 C ATOM 1778 CG ASN A 112 -13.902 -6.916 -5.564 1.00 0.00 C ATOM 1779 OD1 ASN A 112 -13.133 -6.391 -4.769 1.00 0.00 O ATOM 1780 ND2 ASN A 112 -15.108 -7.405 -5.239 1.00 0.00 N ATOM 0 H ASN A 112 -12.435 -7.347 -9.243 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.557 -7.655 -6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.356 -6.072 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -14.380 -7.489 -7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -15.437 -7.352 -4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -15.696 -7.830 -5.956 1.00 0.00 H new ATOM 1787 N LEU A 113 -13.426 -9.959 -7.911 1.00 0.00 N ATOM 1788 CA LEU A 113 -13.825 -11.363 -7.876 1.00 0.00 C ATOM 1789 C LEU A 113 -14.590 -11.714 -9.167 1.00 0.00 C ATOM 1790 O LEU A 113 -15.729 -11.305 -9.365 1.00 0.00 O ATOM 1791 CB LEU A 113 -14.697 -11.646 -6.636 1.00 0.00 C ATOM 1792 CG LEU A 113 -15.141 -13.113 -6.485 1.00 0.00 C ATOM 1793 CD1 LEU A 113 -13.947 -14.076 -6.413 1.00 0.00 C ATOM 1794 CD2 LEU A 113 -16.028 -13.273 -5.243 1.00 0.00 C ATOM 0 H LEU A 113 -13.834 -9.425 -8.679 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.933 -11.986 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.142 -11.354 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -15.584 -11.014 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.714 -13.373 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -14.310 -15.098 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -13.357 -13.993 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -13.325 -13.821 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.335 -14.314 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.469 -12.977 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.911 -12.642 -5.343 1.00 0.00 H new ATOM 1806 N ALA A 114 -13.894 -12.492 -10.022 1.00 0.00 N ATOM 1807 CA ALA A 114 -14.480 -12.921 -11.292 1.00 0.00 C ATOM 1808 C ALA A 114 -13.728 -14.152 -11.844 1.00 0.00 C ATOM 1809 O ALA A 114 -14.355 -14.976 -12.510 1.00 0.00 O ATOM 1810 CB ALA A 114 -14.442 -11.767 -12.305 1.00 0.00 C ATOM 1811 OXT ALA A 114 -12.526 -14.272 -11.603 1.00 0.00 O ATOM 0 H ALA A 114 -12.945 -12.826 -9.854 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.519 -13.203 -11.122 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.880 -12.096 -13.247 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.010 -10.922 -11.916 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.409 -11.463 -12.472 1.00 0.00 H new TER 1817 ALA A 114