USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 669 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: B 198 LYS NZ :NH3+ 167:sc= -0.0435 (180deg=-0.257) USER MOD Set 1.2: B 199 SER OG : rot 45:sc= 0.771 USER MOD Set 2.1: A 19 GLN : amide:sc= -0.359 K(o=-0.59,f=-4.5!) USER MOD Set 2.2: A 26 SER OG : rot 180:sc= -0.23 USER MOD Set 3.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 21 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.1!) USER MOD Set 3.3: B 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.134 (180deg=-0.707) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0108 (180deg=-0.309) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.19) USER MOD Single : A 5 SER OG : rot -32:sc= 0.445 USER MOD Single : A 6 ASN : amide:sc= 0.0413 X(o=0.041,f=-0.053) USER MOD Single : A 7 ASN : amide:sc= -0.873 X(o=-0.87,f=-0.7) USER MOD Single : A 8 GLN : amide:sc= -1.77 K(o=-1.8,f=-4.3!) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= -1.27 (180deg=-1.44) USER MOD Single : A 16 ASN :FLIP amide:sc= 0.11 F(o=-3.9!,f=0.11) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 36 THR OG1 : rot -36:sc= 0.489 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.262 F(o=-3.5!,f=-0.26) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -104:sc= 1.21 USER MOD Single : A 58 ASN : amide:sc= -3.02! X(o=-3!,f=-2.8) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -141:sc= -1.81! (180deg=-4.04!) USER MOD Single : B 185 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 201 TYR OH : rot 180:sc= 0 USER MOD Single : B 202 THR OG1 : rot 180:sc= 0 USER MOD Single : B 204 SER OG : rot -72:sc= 0.363 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -31.194 -8.525 -12.292 1.00 0.00 N ATOM 2 CA MET A 1 -29.874 -8.050 -12.780 1.00 0.00 C ATOM 3 C MET A 1 -28.799 -8.243 -11.714 1.00 0.00 C ATOM 4 O MET A 1 -29.103 -8.523 -10.554 1.00 0.00 O ATOM 5 CB MET A 1 -29.955 -6.574 -13.171 1.00 0.00 C ATOM 6 CG MET A 1 -30.969 -6.289 -14.268 1.00 0.00 C ATOM 7 SD MET A 1 -31.064 -4.539 -14.689 1.00 0.00 S ATOM 8 CE MET A 1 -29.387 -4.226 -15.233 1.00 0.00 C ATOM 0 H1 MET A 1 -31.648 -9.104 -13.027 1.00 0.00 H new ATOM 0 H2 MET A 1 -31.061 -9.097 -11.433 1.00 0.00 H new ATOM 0 H3 MET A 1 -31.798 -7.707 -12.073 1.00 0.00 H new ATOM 0 HA MET A 1 -29.604 -8.640 -13.656 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.212 -5.987 -12.289 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.971 -6.240 -13.501 1.00 0.00 H new ATOM 0 HG2 MET A 1 -30.705 -6.859 -15.159 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.952 -6.635 -13.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.368 -3.334 -15.860 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.745 -4.073 -14.365 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.025 -5.080 -15.806 1.00 0.00 H new ATOM 20 N THR A 2 -27.540 -8.089 -12.116 1.00 0.00 N ATOM 21 CA THR A 2 -26.417 -8.243 -11.197 1.00 0.00 C ATOM 22 C THR A 2 -26.431 -7.153 -10.131 1.00 0.00 C ATOM 23 O THR A 2 -27.157 -6.165 -10.252 1.00 0.00 O ATOM 24 CB THR A 2 -25.072 -8.200 -11.944 1.00 0.00 C ATOM 25 OG1 THR A 2 -24.901 -6.924 -12.572 1.00 0.00 O ATOM 26 CG2 THR A 2 -25.001 -9.300 -12.993 1.00 0.00 C ATOM 0 H THR A 2 -27.272 -7.858 -13.073 1.00 0.00 H new ATOM 0 HA THR A 2 -26.526 -9.217 -10.720 1.00 0.00 H new ATOM 0 HB THR A 2 -24.273 -8.358 -11.219 1.00 0.00 H new ATOM 0 HG1 THR A 2 -24.042 -6.904 -13.044 1.00 0.00 H new ATOM 0 HG21 THR A 2 -24.042 -9.250 -13.508 1.00 0.00 H new ATOM 0 HG22 THR A 2 -25.103 -10.271 -12.509 1.00 0.00 H new ATOM 0 HG23 THR A 2 -25.807 -9.168 -13.714 1.00 0.00 H new ATOM 34 N ASP A 3 -25.626 -7.336 -9.087 1.00 0.00 N ATOM 35 CA ASP A 3 -25.554 -6.363 -8.001 1.00 0.00 C ATOM 36 C ASP A 3 -24.257 -6.509 -7.211 1.00 0.00 C ATOM 37 O ASP A 3 -24.118 -7.414 -6.387 1.00 0.00 O ATOM 38 CB ASP A 3 -26.754 -6.523 -7.067 1.00 0.00 C ATOM 39 CG ASP A 3 -26.738 -5.524 -5.928 1.00 0.00 C ATOM 40 OD1 ASP A 3 -27.203 -4.383 -6.133 1.00 0.00 O ATOM 41 OD2 ASP A 3 -26.260 -5.882 -4.831 1.00 0.00 O ATOM 0 H ASP A 3 -25.017 -8.146 -8.971 1.00 0.00 H new ATOM 0 HA ASP A 3 -25.572 -5.367 -8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -27.674 -6.403 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -26.761 -7.534 -6.660 1.00 0.00 H new ATOM 46 N ASN A 4 -23.309 -5.615 -7.472 1.00 0.00 N ATOM 47 CA ASN A 4 -22.022 -5.631 -6.784 1.00 0.00 C ATOM 48 C ASN A 4 -21.350 -4.264 -6.875 1.00 0.00 C ATOM 49 O ASN A 4 -21.173 -3.724 -7.967 1.00 0.00 O ATOM 50 CB ASN A 4 -21.112 -6.709 -7.378 1.00 0.00 C ATOM 51 CG ASN A 4 -20.799 -6.462 -8.841 1.00 0.00 C ATOM 52 OD1 ASN A 4 -21.532 -6.899 -9.727 1.00 0.00 O ATOM 53 ND2 ASN A 4 -19.702 -5.757 -9.100 1.00 0.00 N ATOM 0 H ASN A 4 -23.408 -4.867 -8.158 1.00 0.00 H new ATOM 0 HA ASN A 4 -22.197 -5.863 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -20.181 -6.747 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.590 -7.683 -7.271 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -19.439 -5.559 -10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -19.123 -5.414 -8.333 1.00 0.00 H new ATOM 60 N SER A 5 -20.978 -3.706 -5.726 1.00 0.00 N ATOM 61 CA SER A 5 -20.330 -2.398 -5.695 1.00 0.00 C ATOM 62 C SER A 5 -19.485 -2.228 -4.437 1.00 0.00 C ATOM 63 O SER A 5 -18.730 -1.262 -4.315 1.00 0.00 O ATOM 64 CB SER A 5 -21.378 -1.288 -5.771 1.00 0.00 C ATOM 65 OG SER A 5 -20.768 -0.008 -5.746 1.00 0.00 O ATOM 0 H SER A 5 -21.113 -4.135 -4.811 1.00 0.00 H new ATOM 0 HA SER A 5 -19.670 -2.331 -6.560 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.963 -1.398 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.071 -1.380 -4.935 1.00 0.00 H new ATOM 0 HG SER A 5 -19.950 -0.046 -5.208 1.00 0.00 H new ATOM 71 N ASN A 6 -19.612 -3.165 -3.503 1.00 0.00 N ATOM 72 CA ASN A 6 -18.855 -3.103 -2.259 1.00 0.00 C ATOM 73 C ASN A 6 -18.552 -4.499 -1.726 1.00 0.00 C ATOM 74 O ASN A 6 -19.333 -5.066 -0.961 1.00 0.00 O ATOM 75 CB ASN A 6 -19.623 -2.298 -1.208 1.00 0.00 C ATOM 76 CG ASN A 6 -18.868 -2.190 0.101 1.00 0.00 C ATOM 77 OD1 ASN A 6 -19.034 -3.018 0.998 1.00 0.00 O ATOM 78 ND2 ASN A 6 -18.031 -1.166 0.219 1.00 0.00 N ATOM 0 H ASN A 6 -20.229 -3.973 -3.584 1.00 0.00 H new ATOM 0 HA ASN A 6 -17.908 -2.606 -2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -19.821 -1.298 -1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -20.590 -2.768 -1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -17.495 -1.042 1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -17.924 -0.504 -0.549 1.00 0.00 H new ATOM 85 N ASN A 7 -17.415 -5.050 -2.142 1.00 0.00 N ATOM 86 CA ASN A 7 -16.999 -6.380 -1.706 1.00 0.00 C ATOM 87 C ASN A 7 -15.478 -6.486 -1.648 1.00 0.00 C ATOM 88 O ASN A 7 -14.927 -7.585 -1.558 1.00 0.00 O ATOM 89 CB ASN A 7 -17.556 -7.449 -2.649 1.00 0.00 C ATOM 90 CG ASN A 7 -19.069 -7.420 -2.737 1.00 0.00 C ATOM 91 OD1 ASN A 7 -19.760 -8.073 -1.956 1.00 0.00 O ATOM 92 ND2 ASN A 7 -19.590 -6.665 -3.696 1.00 0.00 N ATOM 0 H ASN A 7 -16.764 -4.595 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 7 -17.397 -6.543 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -17.135 -7.305 -3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -17.235 -8.433 -2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -20.602 -6.609 -3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -18.978 -6.140 -4.321 1.00 0.00 H new ATOM 99 N GLN A 8 -14.802 -5.341 -1.697 1.00 0.00 N ATOM 100 CA GLN A 8 -13.345 -5.309 -1.654 1.00 0.00 C ATOM 101 C GLN A 8 -12.853 -3.960 -1.139 1.00 0.00 C ATOM 102 O GLN A 8 -13.400 -2.915 -1.492 1.00 0.00 O ATOM 103 CB GLN A 8 -12.771 -5.570 -3.051 1.00 0.00 C ATOM 104 CG GLN A 8 -11.469 -6.360 -3.049 1.00 0.00 C ATOM 105 CD GLN A 8 -10.404 -5.746 -2.161 1.00 0.00 C ATOM 106 OE1 GLN A 8 -10.272 -6.106 -0.991 1.00 0.00 O ATOM 107 NE2 GLN A 8 -9.637 -4.813 -2.713 1.00 0.00 N ATOM 0 H GLN A 8 -15.241 -4.423 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.004 -6.089 -0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.511 -6.111 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.603 -4.614 -3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.669 -7.378 -2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.090 -6.427 -4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.781 -4.545 -3.687 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.904 -4.365 -2.163 1.00 0.00 H new ATOM 116 N LEU A 9 -11.823 -3.990 -0.304 1.00 0.00 N ATOM 117 CA LEU A 9 -11.256 -2.768 0.253 1.00 0.00 C ATOM 118 C LEU A 9 -10.328 -2.106 -0.760 1.00 0.00 C ATOM 119 O LEU A 9 -9.272 -2.642 -1.092 1.00 0.00 O ATOM 120 CB LEU A 9 -10.494 -3.081 1.547 1.00 0.00 C ATOM 121 CG LEU A 9 -10.169 -1.875 2.435 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.819 -2.334 3.842 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.022 -1.061 1.849 1.00 0.00 C ATOM 0 H LEU A 9 -11.363 -4.847 0.003 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.068 -2.078 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.081 -3.791 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.560 -3.579 1.286 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.053 -1.239 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.590 -1.467 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.664 -2.873 4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.951 -2.992 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.811 -0.211 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.134 -1.688 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.300 -0.701 0.858 1.00 0.00 H new ATOM 135 N VAL A 10 -10.730 -0.936 -1.247 1.00 0.00 N ATOM 136 CA VAL A 10 -9.935 -0.205 -2.227 1.00 0.00 C ATOM 137 C VAL A 10 -9.168 0.932 -1.562 1.00 0.00 C ATOM 138 O VAL A 10 -9.706 1.644 -0.713 1.00 0.00 O ATOM 139 CB VAL A 10 -10.819 0.373 -3.349 1.00 0.00 C ATOM 140 CG1 VAL A 10 -9.961 0.879 -4.499 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.817 -0.669 -3.834 1.00 0.00 C ATOM 0 H VAL A 10 -11.600 -0.475 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.231 -0.914 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.379 1.217 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.603 1.283 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.293 1.661 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.371 0.056 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.432 -0.242 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.280 -1.536 -4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.454 -0.976 -3.005 1.00 0.00 H new ATOM 151 N VAL A 11 -7.909 1.098 -1.955 1.00 0.00 N ATOM 152 CA VAL A 11 -7.065 2.141 -1.389 1.00 0.00 C ATOM 153 C VAL A 11 -6.462 3.021 -2.483 1.00 0.00 C ATOM 154 O VAL A 11 -6.251 2.570 -3.610 1.00 0.00 O ATOM 155 CB VAL A 11 -5.936 1.528 -0.534 1.00 0.00 C ATOM 156 CG1 VAL A 11 -4.864 0.900 -1.413 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.338 2.571 0.394 1.00 0.00 C ATOM 0 H VAL A 11 -7.452 0.523 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.696 2.762 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.368 0.737 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.081 0.476 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.308 0.112 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.434 1.662 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.544 2.118 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.927 3.390 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.113 2.955 1.058 1.00 0.00 H new ATOM 167 N ARG A 12 -6.189 4.281 -2.145 1.00 0.00 N ATOM 168 CA ARG A 12 -5.611 5.224 -3.100 1.00 0.00 C ATOM 169 C ARG A 12 -4.343 5.861 -2.541 1.00 0.00 C ATOM 170 O ARG A 12 -4.263 6.177 -1.353 1.00 0.00 O ATOM 171 CB ARG A 12 -6.625 6.311 -3.456 1.00 0.00 C ATOM 172 CG ARG A 12 -6.120 7.297 -4.497 1.00 0.00 C ATOM 173 CD ARG A 12 -7.196 8.299 -4.886 1.00 0.00 C ATOM 174 NE ARG A 12 -7.646 9.092 -3.746 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.672 9.936 -3.791 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.351 10.103 -4.920 1.00 0.00 N ATOM 177 NH2 ARG A 12 -9.022 10.615 -2.707 1.00 0.00 N ATOM 0 H ARG A 12 -6.359 4.671 -1.218 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.350 4.670 -4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.536 5.840 -3.826 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.893 6.856 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.252 7.828 -4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.789 6.755 -5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.810 8.963 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.046 7.769 -5.316 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.144 8.993 -2.864 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.086 9.583 -5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.138 10.751 -4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.504 10.490 -1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.809 11.262 -2.743 1.00 0.00 H new ATOM 191 N ALA A 13 -3.354 6.045 -3.409 1.00 0.00 N ATOM 192 CA ALA A 13 -2.083 6.641 -3.017 1.00 0.00 C ATOM 193 C ALA A 13 -2.262 8.063 -2.497 1.00 0.00 C ATOM 194 O ALA A 13 -3.007 8.856 -3.073 1.00 0.00 O ATOM 195 CB ALA A 13 -1.121 6.634 -4.194 1.00 0.00 C ATOM 0 H ALA A 13 -3.410 5.788 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.671 6.041 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.174 7.081 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.951 5.607 -4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.548 7.208 -5.016 1.00 0.00 H new ATOM 201 N LYS A 14 -1.573 8.377 -1.403 1.00 0.00 N ATOM 202 CA LYS A 14 -1.642 9.707 -0.810 1.00 0.00 C ATOM 203 C LYS A 14 -0.451 10.551 -1.252 1.00 0.00 C ATOM 204 O LYS A 14 -0.588 11.743 -1.527 1.00 0.00 O ATOM 205 CB LYS A 14 -1.678 9.613 0.715 1.00 0.00 C ATOM 206 CG LYS A 14 -2.867 8.831 1.249 1.00 0.00 C ATOM 207 CD LYS A 14 -2.857 8.766 2.769 1.00 0.00 C ATOM 208 CE LYS A 14 -3.105 10.133 3.390 1.00 0.00 C ATOM 209 NZ LYS A 14 -4.410 10.710 2.962 1.00 0.00 N ATOM 0 H LYS A 14 -0.961 7.727 -0.910 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.559 10.186 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.758 9.143 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.699 10.620 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.792 9.298 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.852 7.820 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.621 8.067 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.897 8.379 3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.085 10.047 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.299 10.811 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.510 11.669 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.447 10.753 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.185 10.111 3.311 1.00 0.00 H new ATOM 223 N PHE A 15 0.718 9.920 -1.322 1.00 0.00 N ATOM 224 CA PHE A 15 1.939 10.606 -1.733 1.00 0.00 C ATOM 225 C PHE A 15 2.714 9.764 -2.741 1.00 0.00 C ATOM 226 O PHE A 15 2.455 8.571 -2.897 1.00 0.00 O ATOM 227 CB PHE A 15 2.826 10.898 -0.517 1.00 0.00 C ATOM 228 CG PHE A 15 2.083 11.486 0.649 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.498 12.739 0.558 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.971 10.783 1.839 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.815 13.280 1.631 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.291 11.319 2.915 1.00 0.00 C ATOM 233 CZ PHE A 15 0.712 12.569 2.810 1.00 0.00 C ATOM 0 H PHE A 15 0.845 8.933 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 15 1.656 11.548 -2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.307 9.973 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.619 11.584 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.577 13.299 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.421 9.805 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.363 14.257 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.212 10.762 3.837 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.179 12.990 3.650 1.00 0.00 H new ATOM 243 N ASN A 16 3.667 10.393 -3.423 1.00 0.00 N ATOM 244 CA ASN A 16 4.480 9.698 -4.416 1.00 0.00 C ATOM 245 C ASN A 16 5.525 8.815 -3.741 1.00 0.00 C ATOM 246 O ASN A 16 6.575 9.294 -3.312 1.00 0.00 O ATOM 247 CB ASN A 16 5.168 10.704 -5.344 1.00 0.00 C ATOM 248 CG ASN A 16 4.203 11.375 -6.305 1.00 0.00 C ATOM 249 OD1 ASN A 16 2.956 11.551 -5.878 1.00 0.00 O flip ATOM 250 ND2 ASN A 16 4.576 11.736 -7.422 1.00 0.00 N flip ATOM 0 H ASN A 16 3.895 11.380 -3.307 1.00 0.00 H new ATOM 0 HA ASN A 16 3.820 9.064 -5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.663 11.466 -4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.944 10.193 -5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.542 11.582 -7.711 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.919 12.189 -8.058 1.00 0.00 H new ATOM 257 N PHE A 17 5.225 7.523 -3.645 1.00 0.00 N ATOM 258 CA PHE A 17 6.135 6.569 -3.021 1.00 0.00 C ATOM 259 C PHE A 17 6.995 5.874 -4.073 1.00 0.00 C ATOM 260 O PHE A 17 6.531 5.589 -5.177 1.00 0.00 O ATOM 261 CB PHE A 17 5.343 5.534 -2.220 1.00 0.00 C ATOM 262 CG PHE A 17 6.199 4.646 -1.360 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.585 5.053 -0.093 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.611 3.405 -1.816 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.366 4.238 0.704 1.00 0.00 C ATOM 266 CE2 PHE A 17 7.394 2.585 -1.025 1.00 0.00 C ATOM 267 CZ PHE A 17 7.772 3.001 0.237 1.00 0.00 C ATOM 0 H PHE A 17 4.358 7.113 -3.992 1.00 0.00 H new ATOM 0 HA PHE A 17 6.794 7.114 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.623 6.052 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.772 4.914 -2.911 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.272 6.018 0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.317 3.074 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.659 4.566 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.710 1.620 -1.393 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.383 2.362 0.857 1.00 0.00 H new ATOM 277 N GLN A 18 8.249 5.604 -3.723 1.00 0.00 N ATOM 278 CA GLN A 18 9.173 4.941 -4.636 1.00 0.00 C ATOM 279 C GLN A 18 9.629 3.601 -4.066 1.00 0.00 C ATOM 280 O GLN A 18 10.068 3.522 -2.919 1.00 0.00 O ATOM 281 CB GLN A 18 10.386 5.836 -4.903 1.00 0.00 C ATOM 282 CG GLN A 18 11.287 5.328 -6.015 1.00 0.00 C ATOM 283 CD GLN A 18 12.465 6.246 -6.277 1.00 0.00 C ATOM 284 OE1 GLN A 18 13.533 6.088 -5.686 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.275 7.215 -7.164 1.00 0.00 N ATOM 0 H GLN A 18 8.648 5.834 -2.813 1.00 0.00 H new ATOM 0 HA GLN A 18 8.652 4.758 -5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.039 6.837 -5.158 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.970 5.925 -3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.655 4.336 -5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.704 5.221 -6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.373 7.309 -7.631 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.031 7.865 -7.379 1.00 0.00 H new ATOM 294 N GLN A 19 9.517 2.551 -4.874 1.00 0.00 N ATOM 295 CA GLN A 19 9.915 1.213 -4.448 1.00 0.00 C ATOM 296 C GLN A 19 11.408 0.988 -4.679 1.00 0.00 C ATOM 297 O GLN A 19 12.080 1.812 -5.300 1.00 0.00 O ATOM 298 CB GLN A 19 9.102 0.155 -5.198 1.00 0.00 C ATOM 299 CG GLN A 19 9.389 0.108 -6.692 1.00 0.00 C ATOM 300 CD GLN A 19 8.508 -0.887 -7.424 1.00 0.00 C ATOM 301 OE1 GLN A 19 8.056 -1.876 -6.847 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.266 -0.632 -8.705 1.00 0.00 N ATOM 0 H GLN A 19 9.154 2.600 -5.826 1.00 0.00 H new ATOM 0 HA GLN A 19 9.716 1.123 -3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.310 -0.824 -4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.040 0.351 -5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.242 1.100 -7.118 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.435 -0.154 -6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.661 0.200 -9.143 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.685 -1.268 -9.251 1.00 0.00 H new ATOM 311 N THR A 20 11.919 -0.131 -4.174 1.00 0.00 N ATOM 312 CA THR A 20 13.330 -0.466 -4.325 1.00 0.00 C ATOM 313 C THR A 20 13.537 -1.461 -5.463 1.00 0.00 C ATOM 314 O THR A 20 14.545 -1.412 -6.169 1.00 0.00 O ATOM 315 CB THR A 20 13.911 -1.060 -3.029 1.00 0.00 C ATOM 316 OG1 THR A 20 13.234 -2.280 -2.701 1.00 0.00 O ATOM 317 CG2 THR A 20 13.779 -0.078 -1.874 1.00 0.00 C ATOM 0 H THR A 20 11.376 -0.822 -3.656 1.00 0.00 H new ATOM 0 HA THR A 20 13.852 0.463 -4.554 1.00 0.00 H new ATOM 0 HB THR A 20 14.969 -1.263 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.611 -2.652 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.197 -0.521 -0.970 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.319 0.838 -2.112 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.726 0.153 -1.712 1.00 0.00 H new ATOM 325 N ASN A 21 12.575 -2.363 -5.633 1.00 0.00 N ATOM 326 CA ASN A 21 12.646 -3.370 -6.683 1.00 0.00 C ATOM 327 C ASN A 21 11.248 -3.776 -7.140 1.00 0.00 C ATOM 328 O ASN A 21 10.253 -3.418 -6.512 1.00 0.00 O ATOM 329 CB ASN A 21 13.416 -4.593 -6.185 1.00 0.00 C ATOM 330 CG ASN A 21 12.740 -5.269 -5.008 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.994 -4.638 -4.258 1.00 0.00 O ATOM 332 ND2 ASN A 21 13.005 -6.558 -4.835 1.00 0.00 N ATOM 0 H ASN A 21 11.736 -2.416 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 21 13.173 -2.942 -7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.519 -5.309 -7.000 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.423 -4.291 -5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.584 -7.065 -4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.629 -7.042 -5.481 1.00 0.00 H new ATOM 339 N GLU A 22 11.182 -4.524 -8.238 1.00 0.00 N ATOM 340 CA GLU A 22 9.905 -4.970 -8.787 1.00 0.00 C ATOM 341 C GLU A 22 9.134 -5.822 -7.781 1.00 0.00 C ATOM 342 O GLU A 22 7.906 -5.895 -7.833 1.00 0.00 O ATOM 343 CB GLU A 22 10.127 -5.764 -10.077 1.00 0.00 C ATOM 344 CG GLU A 22 10.995 -6.998 -9.891 1.00 0.00 C ATOM 345 CD GLU A 22 11.049 -7.865 -11.134 1.00 0.00 C ATOM 346 OE1 GLU A 22 11.865 -7.568 -12.031 1.00 0.00 O ATOM 347 OE2 GLU A 22 10.271 -8.839 -11.212 1.00 0.00 O ATOM 0 H GLU A 22 11.998 -4.834 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 22 9.312 -4.082 -9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.160 -6.068 -10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.590 -5.113 -10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.006 -6.690 -9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.610 -7.587 -9.058 1.00 0.00 H new ATOM 354 N ASP A 23 9.858 -6.465 -6.869 1.00 0.00 N ATOM 355 CA ASP A 23 9.232 -7.310 -5.854 1.00 0.00 C ATOM 356 C ASP A 23 8.237 -6.510 -5.020 1.00 0.00 C ATOM 357 O ASP A 23 7.324 -7.075 -4.414 1.00 0.00 O ATOM 358 CB ASP A 23 10.297 -7.926 -4.945 1.00 0.00 C ATOM 359 CG ASP A 23 9.704 -8.870 -3.916 1.00 0.00 C ATOM 360 OD1 ASP A 23 9.304 -8.393 -2.835 1.00 0.00 O ATOM 361 OD2 ASP A 23 9.644 -10.086 -4.192 1.00 0.00 O ATOM 0 H ASP A 23 10.875 -6.418 -6.811 1.00 0.00 H new ATOM 0 HA ASP A 23 8.693 -8.109 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.022 -8.466 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.839 -7.130 -4.434 1.00 0.00 H new ATOM 366 N GLU A 24 8.420 -5.195 -4.995 1.00 0.00 N ATOM 367 CA GLU A 24 7.541 -4.311 -4.240 1.00 0.00 C ATOM 368 C GLU A 24 6.479 -3.710 -5.161 1.00 0.00 C ATOM 369 O GLU A 24 6.130 -4.304 -6.181 1.00 0.00 O ATOM 370 CB GLU A 24 8.361 -3.205 -3.570 1.00 0.00 C ATOM 371 CG GLU A 24 7.744 -2.676 -2.285 1.00 0.00 C ATOM 372 CD GLU A 24 8.649 -1.695 -1.565 1.00 0.00 C ATOM 373 OE1 GLU A 24 8.703 -0.519 -1.984 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.303 -2.102 -0.582 1.00 0.00 O ATOM 0 H GLU A 24 9.172 -4.716 -5.491 1.00 0.00 H new ATOM 0 HA GLU A 24 7.037 -4.889 -3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.359 -3.586 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.481 -2.379 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.796 -2.189 -2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.520 -3.512 -1.622 1.00 0.00 H new ATOM 381 N LEU A 25 5.968 -2.535 -4.804 1.00 0.00 N ATOM 382 CA LEU A 25 4.945 -1.878 -5.610 1.00 0.00 C ATOM 383 C LEU A 25 5.065 -0.361 -5.516 1.00 0.00 C ATOM 384 O LEU A 25 4.928 0.219 -4.438 1.00 0.00 O ATOM 385 CB LEU A 25 3.551 -2.326 -5.156 1.00 0.00 C ATOM 386 CG LEU A 25 2.406 -2.015 -6.126 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.216 -2.917 -5.845 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.993 -0.554 -6.025 1.00 0.00 C ATOM 0 H LEU A 25 6.244 -2.021 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 25 5.093 -2.166 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.574 -3.402 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.331 -1.853 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 25 2.759 -2.203 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.411 -2.684 -6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.512 -3.959 -5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.870 -2.756 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.179 -0.357 -6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.660 -0.339 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.843 0.082 -6.271 1.00 0.00 H new ATOM 400 N SER A 26 5.320 0.275 -6.654 1.00 0.00 N ATOM 401 CA SER A 26 5.446 1.726 -6.710 1.00 0.00 C ATOM 402 C SER A 26 4.107 2.357 -7.070 1.00 0.00 C ATOM 403 O SER A 26 3.280 1.735 -7.736 1.00 0.00 O ATOM 404 CB SER A 26 6.508 2.131 -7.736 1.00 0.00 C ATOM 405 OG SER A 26 6.174 1.656 -9.029 1.00 0.00 O ATOM 0 H SER A 26 5.444 -0.193 -7.552 1.00 0.00 H new ATOM 0 HA SER A 26 5.754 2.085 -5.728 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.603 3.217 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.478 1.732 -7.438 1.00 0.00 H new ATOM 0 HG SER A 26 6.866 1.929 -9.667 1.00 0.00 H new ATOM 411 N PHE A 27 3.895 3.594 -6.634 1.00 0.00 N ATOM 412 CA PHE A 27 2.644 4.289 -6.916 1.00 0.00 C ATOM 413 C PHE A 27 2.778 5.790 -6.698 1.00 0.00 C ATOM 414 O PHE A 27 3.600 6.247 -5.903 1.00 0.00 O ATOM 415 CB PHE A 27 1.521 3.734 -6.039 1.00 0.00 C ATOM 416 CG PHE A 27 1.864 3.683 -4.576 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.671 4.789 -3.766 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.376 2.527 -4.011 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.983 4.744 -2.420 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.690 2.475 -2.667 1.00 0.00 C ATOM 421 CZ PHE A 27 2.492 3.585 -1.869 1.00 0.00 C ATOM 0 H PHE A 27 4.567 4.133 -6.088 1.00 0.00 H new ATOM 0 HA PHE A 27 2.400 4.120 -7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.631 4.348 -6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.269 2.729 -6.379 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.272 5.698 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.532 1.655 -4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.829 5.615 -1.800 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.090 1.567 -2.240 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.735 3.546 -0.817 1.00 0.00 H new ATOM 431 N SER A 28 1.962 6.552 -7.419 1.00 0.00 N ATOM 432 CA SER A 28 1.967 8.005 -7.313 1.00 0.00 C ATOM 433 C SER A 28 0.566 8.521 -7.007 1.00 0.00 C ATOM 434 O SER A 28 -0.426 7.877 -7.350 1.00 0.00 O ATOM 435 CB SER A 28 2.483 8.631 -8.609 1.00 0.00 C ATOM 436 OG SER A 28 3.792 8.176 -8.909 1.00 0.00 O ATOM 0 H SER A 28 1.285 6.183 -8.087 1.00 0.00 H new ATOM 0 HA SER A 28 2.631 8.288 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.811 8.382 -9.430 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.484 9.717 -8.517 1.00 0.00 H new ATOM 0 HG SER A 28 4.099 8.589 -9.743 1.00 0.00 H new ATOM 442 N LYS A 29 0.494 9.677 -6.353 1.00 0.00 N ATOM 443 CA LYS A 29 -0.785 10.285 -5.995 1.00 0.00 C ATOM 444 C LYS A 29 -1.779 10.208 -7.152 1.00 0.00 C ATOM 445 O LYS A 29 -1.674 10.957 -8.123 1.00 0.00 O ATOM 446 CB LYS A 29 -0.580 11.744 -5.585 1.00 0.00 C ATOM 447 CG LYS A 29 -1.856 12.435 -5.130 1.00 0.00 C ATOM 448 CD LYS A 29 -1.600 13.886 -4.759 1.00 0.00 C ATOM 449 CE LYS A 29 -2.878 14.584 -4.323 1.00 0.00 C ATOM 450 NZ LYS A 29 -2.638 16.009 -3.967 1.00 0.00 N ATOM 0 H LYS A 29 1.310 10.214 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.196 9.727 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.153 11.786 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.160 12.294 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.600 12.387 -5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.271 11.907 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.866 13.933 -3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.171 14.411 -5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.614 14.529 -5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.302 14.062 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.534 16.450 -3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.955 16.061 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.257 16.514 -4.793 1.00 0.00 H new ATOM 464 N GLY A 30 -2.739 9.294 -7.041 1.00 0.00 N ATOM 465 CA GLY A 30 -3.737 9.136 -8.083 1.00 0.00 C ATOM 466 C GLY A 30 -4.003 7.681 -8.419 1.00 0.00 C ATOM 467 O GLY A 30 -5.156 7.264 -8.527 1.00 0.00 O ATOM 0 H GLY A 30 -2.843 8.661 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.667 9.608 -7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.406 9.658 -8.981 1.00 0.00 H new ATOM 471 N ASP A 31 -2.933 6.908 -8.589 1.00 0.00 N ATOM 472 CA ASP A 31 -3.053 5.492 -8.916 1.00 0.00 C ATOM 473 C ASP A 31 -3.853 4.751 -7.848 1.00 0.00 C ATOM 474 O ASP A 31 -3.510 4.782 -6.666 1.00 0.00 O ATOM 475 CB ASP A 31 -1.665 4.863 -9.061 1.00 0.00 C ATOM 476 CG ASP A 31 -0.857 5.497 -10.176 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.165 6.502 -9.910 1.00 0.00 O ATOM 478 OD2 ASP A 31 -0.916 4.988 -11.315 1.00 0.00 O ATOM 0 H ASP A 31 -1.972 7.240 -8.505 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.584 5.407 -9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.123 4.964 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.771 3.796 -9.255 1.00 0.00 H new ATOM 483 N VAL A 32 -4.921 4.083 -8.275 1.00 0.00 N ATOM 484 CA VAL A 32 -5.774 3.335 -7.358 1.00 0.00 C ATOM 485 C VAL A 32 -5.314 1.885 -7.245 1.00 0.00 C ATOM 486 O VAL A 32 -5.299 1.151 -8.233 1.00 0.00 O ATOM 487 CB VAL A 32 -7.247 3.363 -7.809 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.129 2.625 -6.813 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.723 4.797 -7.991 1.00 0.00 C ATOM 0 H VAL A 32 -5.216 4.045 -9.251 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.694 3.817 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.321 2.853 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.165 2.657 -7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.804 1.587 -6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.051 3.101 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.765 4.797 -8.310 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.633 5.333 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.112 5.290 -8.748 1.00 0.00 H new ATOM 499 N ILE A 33 -4.945 1.479 -6.034 1.00 0.00 N ATOM 500 CA ILE A 33 -4.481 0.116 -5.793 1.00 0.00 C ATOM 501 C ILE A 33 -5.542 -0.708 -5.071 1.00 0.00 C ATOM 502 O ILE A 33 -6.139 -0.253 -4.095 1.00 0.00 O ATOM 503 CB ILE A 33 -3.185 0.104 -4.957 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.115 0.970 -5.625 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.684 -1.323 -4.777 1.00 0.00 C ATOM 506 CD1 ILE A 33 -0.861 1.137 -4.793 1.00 0.00 C ATOM 0 H ILE A 33 -4.958 2.073 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.282 -0.327 -6.769 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.400 0.520 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.848 0.526 -6.584 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.535 1.954 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.769 -1.315 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.443 -1.913 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.481 -1.763 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.148 1.762 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.114 1.609 -3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.416 0.160 -4.605 1.00 0.00 H new ATOM 518 N HIS A 34 -5.772 -1.922 -5.560 1.00 0.00 N ATOM 519 CA HIS A 34 -6.752 -2.818 -4.959 1.00 0.00 C ATOM 520 C HIS A 34 -6.084 -3.733 -3.938 1.00 0.00 C ATOM 521 O HIS A 34 -5.119 -4.428 -4.251 1.00 0.00 O ATOM 522 CB HIS A 34 -7.446 -3.650 -6.038 1.00 0.00 C ATOM 523 CG HIS A 34 -8.275 -2.832 -6.980 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.824 -2.420 -8.216 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.533 -2.348 -6.860 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.769 -1.716 -8.815 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.816 -1.659 -8.014 1.00 0.00 N ATOM 0 H HIS A 34 -5.292 -2.308 -6.373 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.501 -2.214 -4.447 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.692 -4.194 -6.608 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.082 -4.394 -5.559 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.192 -2.479 -6.014 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.696 -1.264 -9.793 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.693 -1.181 -8.219 1.00 0.00 H new ATOM 536 N VAL A 35 -6.607 -3.729 -2.717 1.00 0.00 N ATOM 537 CA VAL A 35 -6.057 -4.553 -1.646 1.00 0.00 C ATOM 538 C VAL A 35 -6.409 -6.024 -1.842 1.00 0.00 C ATOM 539 O VAL A 35 -7.518 -6.359 -2.257 1.00 0.00 O ATOM 540 CB VAL A 35 -6.568 -4.090 -0.268 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.934 -4.908 0.848 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.296 -2.606 -0.068 1.00 0.00 C ATOM 0 H VAL A 35 -7.411 -3.164 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.974 -4.439 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.646 -4.249 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.310 -4.563 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.186 -5.960 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.851 -4.788 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.664 -2.297 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.223 -2.421 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.806 -2.035 -0.844 1.00 0.00 H new ATOM 552 N THR A 36 -5.455 -6.899 -1.540 1.00 0.00 N ATOM 553 CA THR A 36 -5.661 -8.335 -1.675 1.00 0.00 C ATOM 554 C THR A 36 -5.488 -9.034 -0.331 1.00 0.00 C ATOM 555 O THR A 36 -6.084 -10.081 -0.082 1.00 0.00 O ATOM 556 CB THR A 36 -4.683 -8.951 -2.694 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.334 -8.786 -2.241 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.847 -8.304 -4.063 1.00 0.00 C ATOM 0 H THR A 36 -4.530 -6.637 -1.199 1.00 0.00 H new ATOM 0 HA THR A 36 -6.680 -8.481 -2.033 1.00 0.00 H new ATOM 0 HB THR A 36 -4.908 -10.014 -2.783 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.244 -7.921 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.146 -8.755 -4.765 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.866 -8.458 -4.418 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.646 -7.235 -3.987 1.00 0.00 H new ATOM 566 N ARG A 37 -4.672 -8.437 0.533 1.00 0.00 N ATOM 567 CA ARG A 37 -4.412 -8.986 1.860 1.00 0.00 C ATOM 568 C ARG A 37 -4.151 -7.863 2.858 1.00 0.00 C ATOM 569 O ARG A 37 -3.074 -7.268 2.867 1.00 0.00 O ATOM 570 CB ARG A 37 -3.210 -9.936 1.829 1.00 0.00 C ATOM 571 CG ARG A 37 -3.381 -11.121 0.892 1.00 0.00 C ATOM 572 CD ARG A 37 -2.108 -11.948 0.801 1.00 0.00 C ATOM 573 NE ARG A 37 -2.245 -13.063 -0.132 1.00 0.00 N ATOM 574 CZ ARG A 37 -1.215 -13.671 -0.715 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.024 -13.272 -0.462 1.00 0.00 N ATOM 576 NH2 ARG A 37 -1.425 -14.679 -1.552 1.00 0.00 N ATOM 0 H ARG A 37 -4.177 -7.567 0.336 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.294 -9.545 2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.324 -9.375 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.027 -10.307 2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.200 -11.749 1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.656 -10.765 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.283 -11.310 0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.853 -12.331 1.789 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.185 -13.395 -0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.189 -12.497 0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.812 -13.740 -0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.377 -14.988 -1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.635 -15.144 -1.998 1.00 0.00 H new ATOM 590 N VAL A 38 -5.144 -7.575 3.694 1.00 0.00 N ATOM 591 CA VAL A 38 -5.016 -6.520 4.693 1.00 0.00 C ATOM 592 C VAL A 38 -4.971 -7.100 6.104 1.00 0.00 C ATOM 593 O VAL A 38 -5.919 -7.743 6.557 1.00 0.00 O ATOM 594 CB VAL A 38 -6.171 -5.499 4.589 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.520 -6.200 4.581 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.098 -4.490 5.725 1.00 0.00 C ATOM 0 H VAL A 38 -6.043 -8.056 3.700 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.077 -6.004 4.492 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.064 -4.964 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.315 -5.458 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.574 -6.876 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.640 -6.769 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.920 -3.780 5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.173 -5.011 6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.149 -3.955 5.676 1.00 0.00 H new ATOM 606 N GLU A 39 -3.857 -6.868 6.791 1.00 0.00 N ATOM 607 CA GLU A 39 -3.680 -7.359 8.152 1.00 0.00 C ATOM 608 C GLU A 39 -4.008 -6.269 9.167 1.00 0.00 C ATOM 609 O GLU A 39 -4.426 -5.171 8.799 1.00 0.00 O ATOM 610 CB GLU A 39 -2.245 -7.848 8.360 1.00 0.00 C ATOM 611 CG GLU A 39 -1.788 -8.861 7.323 1.00 0.00 C ATOM 612 CD GLU A 39 -0.398 -9.396 7.609 1.00 0.00 C ATOM 613 OE1 GLU A 39 -0.284 -10.362 8.392 1.00 0.00 O ATOM 614 OE2 GLU A 39 0.575 -8.847 7.051 1.00 0.00 O ATOM 0 H GLU A 39 -3.063 -6.342 6.426 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.365 -8.193 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.572 -6.991 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.163 -8.294 9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.494 -9.691 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.800 -8.397 6.337 1.00 0.00 H new ATOM 621 N GLU A 40 -3.816 -6.578 10.446 1.00 0.00 N ATOM 622 CA GLU A 40 -4.092 -5.622 11.512 1.00 0.00 C ATOM 623 C GLU A 40 -2.909 -4.678 11.713 1.00 0.00 C ATOM 624 O GLU A 40 -2.026 -4.940 12.530 1.00 0.00 O ATOM 625 CB GLU A 40 -4.407 -6.362 12.816 1.00 0.00 C ATOM 626 CG GLU A 40 -5.095 -5.498 13.864 1.00 0.00 C ATOM 627 CD GLU A 40 -4.181 -4.440 14.450 1.00 0.00 C ATOM 628 OE1 GLU A 40 -3.423 -4.765 15.389 1.00 0.00 O ATOM 629 OE2 GLU A 40 -4.221 -3.287 13.971 1.00 0.00 O ATOM 0 H GLU A 40 -3.471 -7.482 10.769 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.959 -5.027 11.224 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.042 -7.219 12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.479 -6.753 13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.962 -5.013 13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.466 -6.136 14.667 1.00 0.00 H new ATOM 636 N GLY A 41 -2.899 -3.582 10.960 1.00 0.00 N ATOM 637 CA GLY A 41 -1.822 -2.612 11.069 1.00 0.00 C ATOM 638 C GLY A 41 -0.499 -3.148 10.556 1.00 0.00 C ATOM 639 O GLY A 41 -0.065 -4.231 10.951 1.00 0.00 O ATOM 0 H GLY A 41 -3.618 -3.347 10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.088 -1.715 10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.710 -2.315 12.112 1.00 0.00 H new ATOM 643 N GLY A 42 0.145 -2.389 9.675 1.00 0.00 N ATOM 644 CA GLY A 42 1.421 -2.809 9.126 1.00 0.00 C ATOM 645 C GLY A 42 1.500 -2.614 7.624 1.00 0.00 C ATOM 646 O GLY A 42 1.130 -1.561 7.108 1.00 0.00 O ATOM 0 H GLY A 42 -0.194 -1.490 9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.222 -2.246 9.605 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.586 -3.860 9.362 1.00 0.00 H new ATOM 650 N TRP A 43 1.983 -3.634 6.923 1.00 0.00 N ATOM 651 CA TRP A 43 2.113 -3.571 5.472 1.00 0.00 C ATOM 652 C TRP A 43 0.937 -4.250 4.778 1.00 0.00 C ATOM 653 O TRP A 43 0.507 -5.331 5.178 1.00 0.00 O ATOM 654 CB TRP A 43 3.419 -4.227 5.027 1.00 0.00 C ATOM 655 CG TRP A 43 4.591 -3.297 5.042 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.367 -2.966 6.116 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.124 -2.580 3.924 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.351 -2.087 5.733 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.223 -1.834 4.391 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.779 -2.496 2.573 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.979 -1.018 3.555 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.530 -1.685 1.743 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.619 -0.956 2.236 1.00 0.00 C ATOM 0 H TRP A 43 2.291 -4.514 7.336 1.00 0.00 H new ATOM 0 HA TRP A 43 2.119 -2.519 5.187 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.630 -5.075 5.678 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.292 -4.623 4.019 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.228 -3.340 7.119 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.061 -1.688 6.347 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.941 -3.055 2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.819 -0.454 3.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.272 -1.612 0.697 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.187 -0.332 1.562 1.00 0.00 H new ATOM 674 N TRP A 44 0.423 -3.605 3.735 1.00 0.00 N ATOM 675 CA TRP A 44 -0.696 -4.146 2.973 1.00 0.00 C ATOM 676 C TRP A 44 -0.259 -4.486 1.551 1.00 0.00 C ATOM 677 O TRP A 44 0.411 -3.690 0.894 1.00 0.00 O ATOM 678 CB TRP A 44 -1.856 -3.143 2.931 1.00 0.00 C ATOM 679 CG TRP A 44 -2.457 -2.838 4.276 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.159 -3.429 5.472 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.470 -1.863 4.555 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.920 -2.879 6.474 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.733 -1.917 5.937 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.181 -0.950 3.769 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.675 -1.092 6.549 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.115 -0.133 4.379 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.354 -0.208 5.756 1.00 0.00 C ATOM 0 H TRP A 44 0.765 -2.705 3.398 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.034 -5.056 3.468 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.502 -2.214 2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.636 -3.534 2.277 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.431 -4.215 5.609 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.885 -3.144 7.458 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.004 -0.884 2.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.862 -1.149 7.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.670 0.576 3.782 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.089 0.445 6.202 1.00 0.00 H new ATOM 698 N GLU A 45 -0.636 -5.673 1.084 1.00 0.00 N ATOM 699 CA GLU A 45 -0.285 -6.114 -0.263 1.00 0.00 C ATOM 700 C GLU A 45 -1.495 -6.049 -1.189 1.00 0.00 C ATOM 701 O GLU A 45 -2.619 -6.341 -0.779 1.00 0.00 O ATOM 702 CB GLU A 45 0.263 -7.542 -0.232 1.00 0.00 C ATOM 703 CG GLU A 45 0.772 -8.028 -1.579 1.00 0.00 C ATOM 704 CD GLU A 45 1.279 -9.456 -1.532 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.456 -10.384 -1.668 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.502 -9.645 -1.360 1.00 0.00 O ATOM 0 H GLU A 45 -1.185 -6.347 1.618 1.00 0.00 H new ATOM 0 HA GLU A 45 0.485 -5.443 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.074 -7.595 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.521 -8.215 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.030 -7.955 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.575 -7.373 -1.918 1.00 0.00 H new ATOM 713 N GLY A 46 -1.257 -5.665 -2.441 1.00 0.00 N ATOM 714 CA GLY A 46 -2.337 -5.566 -3.406 1.00 0.00 C ATOM 715 C GLY A 46 -1.850 -5.673 -4.839 1.00 0.00 C ATOM 716 O GLY A 46 -0.746 -6.154 -5.092 1.00 0.00 O ATOM 0 H GLY A 46 -0.335 -5.421 -2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.065 -6.354 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.854 -4.616 -3.272 1.00 0.00 H new ATOM 720 N THR A 47 -2.678 -5.221 -5.779 1.00 0.00 N ATOM 721 CA THR A 47 -2.330 -5.269 -7.196 1.00 0.00 C ATOM 722 C THR A 47 -2.599 -3.927 -7.875 1.00 0.00 C ATOM 723 O THR A 47 -3.478 -3.174 -7.456 1.00 0.00 O ATOM 724 CB THR A 47 -3.123 -6.372 -7.926 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.924 -7.633 -7.274 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.694 -6.479 -9.383 1.00 0.00 C ATOM 0 H THR A 47 -3.594 -4.818 -5.584 1.00 0.00 H new ATOM 0 HA THR A 47 -1.265 -5.494 -7.257 1.00 0.00 H new ATOM 0 HB THR A 47 -4.180 -6.107 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.432 -8.327 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.268 -7.264 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.874 -5.529 -9.886 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.632 -6.721 -9.433 1.00 0.00 H new ATOM 734 N LEU A 48 -1.831 -3.636 -8.921 1.00 0.00 N ATOM 735 CA LEU A 48 -1.984 -2.393 -9.668 1.00 0.00 C ATOM 736 C LEU A 48 -1.593 -2.595 -11.131 1.00 0.00 C ATOM 737 O LEU A 48 -0.925 -3.571 -11.473 1.00 0.00 O ATOM 738 CB LEU A 48 -1.136 -1.280 -9.040 1.00 0.00 C ATOM 739 CG LEU A 48 -1.276 0.100 -9.693 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.730 0.548 -9.703 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.415 1.124 -8.969 1.00 0.00 C ATOM 0 H LEU A 48 -1.094 -4.248 -9.271 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.032 -2.096 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.403 -1.194 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.088 -1.578 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.932 0.022 -10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.805 1.530 -10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.328 -0.169 -10.266 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.100 0.605 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.528 2.097 -9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.729 1.193 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.630 0.817 -9.013 1.00 0.00 H new ATOM 753 N ASN A 49 -2.020 -1.671 -11.986 1.00 0.00 N ATOM 754 CA ASN A 49 -1.725 -1.747 -13.415 1.00 0.00 C ATOM 755 C ASN A 49 -0.222 -1.867 -13.671 1.00 0.00 C ATOM 756 O ASN A 49 0.527 -0.908 -13.493 1.00 0.00 O ATOM 757 CB ASN A 49 -2.272 -0.513 -14.137 1.00 0.00 C ATOM 758 CG ASN A 49 -3.791 -0.466 -14.169 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.430 -0.985 -13.126 1.00 0.00 O flip ATOM 760 ND2 ASN A 49 -4.385 0.039 -15.122 1.00 0.00 N flip ATOM 0 H ASN A 49 -2.573 -0.858 -11.714 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.211 -2.642 -13.804 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.897 0.384 -13.645 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.892 -0.499 -15.159 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.858 0.427 -15.904 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.405 0.069 -15.129 1.00 0.00 H new ATOM 767 N GLY A 50 0.206 -3.056 -14.091 1.00 0.00 N ATOM 768 CA GLY A 50 1.611 -3.286 -14.385 1.00 0.00 C ATOM 769 C GLY A 50 2.499 -3.266 -13.153 1.00 0.00 C ATOM 770 O GLY A 50 3.716 -3.426 -13.260 1.00 0.00 O ATOM 0 H GLY A 50 -0.397 -3.866 -14.233 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.717 -4.249 -14.884 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.957 -2.525 -15.085 1.00 0.00 H new ATOM 774 N ARG A 51 1.899 -3.069 -11.985 1.00 0.00 N ATOM 775 CA ARG A 51 2.656 -3.030 -10.738 1.00 0.00 C ATOM 776 C ARG A 51 1.993 -3.891 -9.669 1.00 0.00 C ATOM 777 O ARG A 51 0.826 -3.691 -9.335 1.00 0.00 O ATOM 778 CB ARG A 51 2.787 -1.589 -10.240 1.00 0.00 C ATOM 779 CG ARG A 51 3.596 -0.697 -11.165 1.00 0.00 C ATOM 780 CD ARG A 51 3.606 0.744 -10.682 1.00 0.00 C ATOM 781 NE ARG A 51 4.388 1.610 -11.561 1.00 0.00 N ATOM 782 CZ ARG A 51 4.554 2.914 -11.356 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.997 3.503 -10.306 1.00 0.00 N ATOM 784 NH2 ARG A 51 5.280 3.631 -12.203 1.00 0.00 N ATOM 0 H ARG A 51 0.894 -2.934 -11.874 1.00 0.00 H new ATOM 0 HA ARG A 51 3.650 -3.431 -10.935 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.791 -1.164 -10.118 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.254 -1.595 -9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.619 -1.068 -11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.179 -0.742 -12.171 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.582 1.114 -10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.017 0.785 -9.673 1.00 0.00 H new ATOM 0 HE ARG A 51 4.832 1.191 -12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.438 2.956 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.127 4.503 -10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.711 3.183 -13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.407 4.631 -12.046 1.00 0.00 H new ATOM 798 N THR A 52 2.747 -4.845 -9.134 1.00 0.00 N ATOM 799 CA THR A 52 2.233 -5.735 -8.101 1.00 0.00 C ATOM 800 C THR A 52 3.260 -5.931 -6.992 1.00 0.00 C ATOM 801 O THR A 52 4.441 -6.157 -7.259 1.00 0.00 O ATOM 802 CB THR A 52 1.848 -7.110 -8.681 1.00 0.00 C ATOM 803 OG1 THR A 52 0.912 -6.945 -9.751 1.00 0.00 O ATOM 804 CG2 THR A 52 1.243 -8.004 -7.608 1.00 0.00 C ATOM 0 H THR A 52 3.716 -5.021 -9.399 1.00 0.00 H new ATOM 0 HA THR A 52 1.340 -5.264 -7.690 1.00 0.00 H new ATOM 0 HB THR A 52 2.754 -7.585 -9.058 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.673 -7.823 -10.115 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.980 -8.968 -8.043 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.968 -8.153 -6.807 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.347 -7.532 -7.204 1.00 0.00 H new ATOM 812 N GLY A 53 2.801 -5.843 -5.748 1.00 0.00 N ATOM 813 CA GLY A 53 3.692 -6.009 -4.616 1.00 0.00 C ATOM 814 C GLY A 53 3.145 -5.379 -3.351 1.00 0.00 C ATOM 815 O GLY A 53 1.969 -5.020 -3.287 1.00 0.00 O ATOM 0 H GLY A 53 1.828 -5.660 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.863 -7.072 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.659 -5.565 -4.851 1.00 0.00 H new ATOM 819 N TRP A 54 4.001 -5.245 -2.345 1.00 0.00 N ATOM 820 CA TRP A 54 3.603 -4.655 -1.072 1.00 0.00 C ATOM 821 C TRP A 54 3.619 -3.132 -1.138 1.00 0.00 C ATOM 822 O TRP A 54 4.332 -2.541 -1.950 1.00 0.00 O ATOM 823 CB TRP A 54 4.536 -5.130 0.044 1.00 0.00 C ATOM 824 CG TRP A 54 4.438 -6.598 0.319 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.088 -7.602 -0.339 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.644 -7.228 1.332 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.744 -8.819 0.200 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.859 -8.615 1.228 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.773 -6.753 2.316 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.233 -9.530 2.070 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.152 -7.662 3.150 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.385 -9.037 3.023 1.00 0.00 C ATOM 0 H TRP A 54 4.977 -5.538 -2.386 1.00 0.00 H new ATOM 0 HA TRP A 54 2.584 -4.979 -0.859 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.564 -4.886 -0.224 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.306 -4.581 0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.772 -7.461 -1.163 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.090 -9.726 -0.113 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.589 -5.694 2.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.411 -10.591 1.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.475 -7.306 3.913 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.885 -9.722 3.691 1.00 0.00 H new ATOM 843 N PHE A 55 2.826 -2.503 -0.276 1.00 0.00 N ATOM 844 CA PHE A 55 2.754 -1.048 -0.214 1.00 0.00 C ATOM 845 C PHE A 55 2.420 -0.593 1.206 1.00 0.00 C ATOM 846 O PHE A 55 1.630 -1.238 1.897 1.00 0.00 O ATOM 847 CB PHE A 55 1.718 -0.509 -1.208 1.00 0.00 C ATOM 848 CG PHE A 55 0.323 -1.021 -0.985 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.544 -0.362 -0.129 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.126 -2.154 -1.644 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.830 -0.825 0.071 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.412 -2.623 -1.448 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.265 -1.957 -0.590 1.00 0.00 C ATOM 0 H PHE A 55 2.222 -2.981 0.392 1.00 0.00 H new ATOM 0 HA PHE A 55 3.729 -0.646 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.707 0.579 -1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.031 -0.770 -2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.210 0.525 0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.536 -2.677 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.494 -0.303 0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.749 -3.509 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.270 -2.321 -0.436 1.00 0.00 H new ATOM 863 N PRO A 56 3.018 0.524 1.668 1.00 0.00 N ATOM 864 CA PRO A 56 2.779 1.046 3.020 1.00 0.00 C ATOM 865 C PRO A 56 1.296 1.256 3.303 1.00 0.00 C ATOM 866 O PRO A 56 0.488 1.341 2.381 1.00 0.00 O ATOM 867 CB PRO A 56 3.523 2.384 3.026 1.00 0.00 C ATOM 868 CG PRO A 56 4.566 2.242 1.973 1.00 0.00 C ATOM 869 CD PRO A 56 3.963 1.368 0.912 1.00 0.00 C ATOM 0 HA PRO A 56 3.121 0.354 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.849 3.212 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.969 2.585 4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.845 3.214 1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.473 1.794 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.455 1.955 0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.720 0.770 0.405 1.00 0.00 H new ATOM 877 N SER A 57 0.945 1.336 4.584 1.00 0.00 N ATOM 878 CA SER A 57 -0.444 1.535 4.985 1.00 0.00 C ATOM 879 C SER A 57 -0.685 2.969 5.447 1.00 0.00 C ATOM 880 O SER A 57 -1.806 3.473 5.373 1.00 0.00 O ATOM 881 CB SER A 57 -0.821 0.560 6.102 1.00 0.00 C ATOM 882 OG SER A 57 -0.060 0.807 7.272 1.00 0.00 O ATOM 0 H SER A 57 1.603 1.266 5.361 1.00 0.00 H new ATOM 0 HA SER A 57 -1.072 1.344 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.883 0.654 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.656 -0.464 5.766 1.00 0.00 H new ATOM 0 HG SER A 57 0.633 0.120 7.363 1.00 0.00 H new ATOM 888 N ASN A 58 0.372 3.622 5.922 1.00 0.00 N ATOM 889 CA ASN A 58 0.269 4.997 6.399 1.00 0.00 C ATOM 890 C ASN A 58 0.400 5.989 5.247 1.00 0.00 C ATOM 891 O ASN A 58 0.017 7.153 5.372 1.00 0.00 O ATOM 892 CB ASN A 58 1.343 5.276 7.451 1.00 0.00 C ATOM 893 CG ASN A 58 1.162 4.434 8.698 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.472 4.833 9.637 1.00 0.00 O ATOM 895 ND2 ASN A 58 1.783 3.262 8.715 1.00 0.00 N ATOM 0 H ASN A 58 1.308 3.222 5.987 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.715 5.123 6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.326 5.080 7.023 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.317 6.332 7.722 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.699 2.652 9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.345 2.971 7.915 1.00 0.00 H new ATOM 902 N TYR A 59 0.942 5.524 4.127 1.00 0.00 N ATOM 903 CA TYR A 59 1.116 6.371 2.953 1.00 0.00 C ATOM 904 C TYR A 59 -0.081 6.248 2.017 1.00 0.00 C ATOM 905 O TYR A 59 -0.165 6.941 1.003 1.00 0.00 O ATOM 906 CB TYR A 59 2.403 5.999 2.212 1.00 0.00 C ATOM 907 CG TYR A 59 3.500 7.033 2.344 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.926 7.469 3.594 1.00 0.00 C ATOM 909 CD2 TYR A 59 4.107 7.575 1.218 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.926 8.415 3.716 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.109 8.520 1.333 1.00 0.00 C ATOM 912 CZ TYR A 59 5.514 8.937 2.583 1.00 0.00 C ATOM 913 OH TYR A 59 6.510 9.879 2.701 1.00 0.00 O ATOM 0 H TYR A 59 1.268 4.565 4.007 1.00 0.00 H new ATOM 0 HA TYR A 59 1.189 7.406 3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.768 5.045 2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.175 5.856 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.468 7.062 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.791 7.253 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.245 8.744 4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.572 8.930 0.448 1.00 0.00 H new ATOM 0 HH TYR A 59 6.818 10.143 1.809 1.00 0.00 H new ATOM 923 N VAL A 60 -1.002 5.357 2.367 1.00 0.00 N ATOM 924 CA VAL A 60 -2.203 5.139 1.571 1.00 0.00 C ATOM 925 C VAL A 60 -3.451 5.203 2.449 1.00 0.00 C ATOM 926 O VAL A 60 -3.387 4.934 3.648 1.00 0.00 O ATOM 927 CB VAL A 60 -2.155 3.781 0.845 1.00 0.00 C ATOM 928 CG1 VAL A 60 -0.975 3.733 -0.114 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.082 2.638 1.846 1.00 0.00 C ATOM 0 H VAL A 60 -0.939 4.772 3.200 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.247 5.932 0.824 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.072 3.667 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.955 2.767 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.075 4.527 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.048 3.870 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.049 1.688 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.184 2.744 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.961 2.662 2.490 1.00 0.00 H new ATOM 939 N ARG A 61 -4.585 5.558 1.851 1.00 0.00 N ATOM 940 CA ARG A 61 -5.837 5.656 2.598 1.00 0.00 C ATOM 941 C ARG A 61 -6.990 5.018 1.830 1.00 0.00 C ATOM 942 O ARG A 61 -7.091 5.155 0.610 1.00 0.00 O ATOM 943 CB ARG A 61 -6.155 7.121 2.912 1.00 0.00 C ATOM 944 CG ARG A 61 -6.268 8.004 1.678 1.00 0.00 C ATOM 945 CD ARG A 61 -7.710 8.137 1.213 1.00 0.00 C ATOM 946 NE ARG A 61 -8.531 8.856 2.185 1.00 0.00 N ATOM 947 CZ ARG A 61 -9.833 9.079 2.032 1.00 0.00 C ATOM 948 NH1 ARG A 61 -10.465 8.641 0.950 1.00 0.00 N ATOM 949 NH2 ARG A 61 -10.504 9.744 2.962 1.00 0.00 N ATOM 0 H ARG A 61 -4.664 5.781 0.859 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.714 5.111 3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.091 7.169 3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.377 7.520 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.864 8.992 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.663 7.585 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.737 8.660 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.130 7.145 1.045 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.079 9.207 3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.952 8.131 0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.464 8.815 0.837 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.022 10.084 3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.503 9.916 2.846 1.00 0.00 H new ATOM 963 N GLU A 62 -7.854 4.316 2.559 1.00 0.00 N ATOM 964 CA GLU A 62 -9.005 3.646 1.963 1.00 0.00 C ATOM 965 C GLU A 62 -9.844 4.618 1.138 1.00 0.00 C ATOM 966 O GLU A 62 -10.473 5.527 1.680 1.00 0.00 O ATOM 967 CB GLU A 62 -9.867 3.008 3.056 1.00 0.00 C ATOM 968 CG GLU A 62 -11.083 2.270 2.521 1.00 0.00 C ATOM 969 CD GLU A 62 -11.955 1.705 3.627 1.00 0.00 C ATOM 970 OE1 GLU A 62 -12.813 2.451 4.145 1.00 0.00 O ATOM 971 OE2 GLU A 62 -11.779 0.519 3.974 1.00 0.00 O ATOM 0 H GLU A 62 -7.777 4.197 3.569 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.634 2.867 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.254 2.313 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.198 3.785 3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.675 2.949 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.754 1.458 1.872 1.00 0.00 H new ATOM 978 N VAL A 63 -9.847 4.418 -0.176 1.00 0.00 N ATOM 979 CA VAL A 63 -10.608 5.271 -1.080 1.00 0.00 C ATOM 980 C VAL A 63 -11.916 4.603 -1.492 1.00 0.00 C ATOM 981 O VAL A 63 -11.994 3.377 -1.583 1.00 0.00 O ATOM 982 CB VAL A 63 -9.794 5.611 -2.345 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.523 4.359 -3.167 1.00 0.00 C ATOM 984 CG2 VAL A 63 -10.511 6.663 -3.179 1.00 0.00 C ATOM 0 H VAL A 63 -9.329 3.671 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 63 -10.829 6.192 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.834 6.022 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.948 4.624 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.958 3.645 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.469 3.910 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.920 6.889 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.488 6.285 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.639 7.570 -2.588 1.00 0.00 H new ATOM 994 N LYS A 64 -12.939 5.419 -1.738 1.00 0.00 N ATOM 995 CA LYS A 64 -14.250 4.919 -2.146 1.00 0.00 C ATOM 996 C LYS A 64 -14.872 4.042 -1.062 1.00 0.00 C ATOM 997 O LYS A 64 -14.404 2.935 -0.800 1.00 0.00 O ATOM 998 CB LYS A 64 -14.138 4.130 -3.455 1.00 0.00 C ATOM 999 CG LYS A 64 -15.462 3.561 -3.944 1.00 0.00 C ATOM 1000 CD LYS A 64 -16.448 4.655 -4.329 1.00 0.00 C ATOM 1001 CE LYS A 64 -16.138 5.239 -5.699 1.00 0.00 C ATOM 1002 NZ LYS A 64 -14.903 6.071 -5.691 1.00 0.00 N ATOM 0 H LYS A 64 -12.884 6.435 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.899 5.781 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.726 4.780 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.431 3.312 -3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.283 2.916 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.899 2.938 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.460 4.249 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.421 5.448 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.023 4.429 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.980 5.845 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.043 6.905 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.698 6.378 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.105 5.511 -6.053 1.00 0.00 H new ATOM 1016 N ALA A 65 -15.933 4.547 -0.438 1.00 0.00 N ATOM 1017 CA ALA A 65 -16.624 3.809 0.614 1.00 0.00 C ATOM 1018 C ALA A 65 -17.564 2.765 0.022 1.00 0.00 C ATOM 1019 O ALA A 65 -17.129 1.605 -0.143 1.00 0.00 O ATOM 1020 CB ALA A 65 -17.392 4.767 1.513 1.00 0.00 C ATOM 1021 OXT ALA A 65 -18.727 3.115 -0.273 1.00 0.00 O ATOM 0 H ALA A 65 -16.332 5.463 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.876 3.289 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.903 4.203 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.698 5.472 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.126 5.313 0.920 1.00 0.00 H new TER 1027 ALA A 65 ATOM 1028 N ASP B 183 -9.109 18.829 6.831 1.00 0.00 N ATOM 1029 CA ASP B 183 -7.980 18.078 6.223 1.00 0.00 C ATOM 1030 C ASP B 183 -6.738 18.145 7.103 1.00 0.00 C ATOM 1031 O ASP B 183 -6.343 19.220 7.557 1.00 0.00 O ATOM 1032 CB ASP B 183 -7.662 18.637 4.833 1.00 0.00 C ATOM 1033 CG ASP B 183 -8.800 18.431 3.854 1.00 0.00 C ATOM 1034 OD1 ASP B 183 -9.731 19.261 3.842 1.00 0.00 O ATOM 1035 OD2 ASP B 183 -8.757 17.438 3.095 1.00 0.00 O ATOM 0 HA ASP B 183 -8.280 17.034 6.133 1.00 0.00 H new ATOM 0 HB2 ASP B 183 -7.444 19.702 4.914 1.00 0.00 H new ATOM 0 HB3 ASP B 183 -6.763 18.156 4.448 1.00 0.00 H new ATOM 1042 N ALA B 184 -6.126 16.988 7.340 1.00 0.00 N ATOM 1043 CA ALA B 184 -4.928 16.909 8.167 1.00 0.00 C ATOM 1044 C ALA B 184 -4.073 15.709 7.773 1.00 0.00 C ATOM 1045 O ALA B 184 -4.552 14.575 7.745 1.00 0.00 O ATOM 1046 CB ALA B 184 -5.308 16.834 9.638 1.00 0.00 C ATOM 0 H ALA B 184 -6.441 16.091 6.970 1.00 0.00 H new ATOM 0 HA ALA B 184 -4.338 17.811 8.004 1.00 0.00 H new ATOM 0 HB1 ALA B 184 -4.404 16.775 10.245 1.00 0.00 H new ATOM 0 HB2 ALA B 184 -5.873 17.724 9.914 1.00 0.00 H new ATOM 0 HB3 ALA B 184 -5.919 15.948 9.811 1.00 0.00 H new ATOM 1052 N THR B 185 -2.804 15.968 7.471 1.00 0.00 N ATOM 1053 CA THR B 185 -1.879 14.911 7.074 1.00 0.00 C ATOM 1054 C THR B 185 -1.682 13.894 8.197 1.00 0.00 C ATOM 1055 O THR B 185 -1.646 14.259 9.372 1.00 0.00 O ATOM 1056 CB THR B 185 -0.508 15.488 6.675 1.00 0.00 C ATOM 1057 OG1 THR B 185 0.044 16.241 7.761 1.00 0.00 O ATOM 1058 CG2 THR B 185 -0.630 16.376 5.446 1.00 0.00 C ATOM 0 H THR B 185 -2.393 16.901 7.494 1.00 0.00 H new ATOM 0 HA THR B 185 -2.323 14.412 6.213 1.00 0.00 H new ATOM 0 HB THR B 185 0.155 14.656 6.438 1.00 0.00 H new ATOM 0 HG1 THR B 185 0.916 16.602 7.498 1.00 0.00 H new ATOM 0 HG21 THR B 185 0.351 16.772 5.184 1.00 0.00 H new ATOM 0 HG22 THR B 185 -1.020 15.792 4.612 1.00 0.00 H new ATOM 0 HG23 THR B 185 -1.309 17.202 5.660 1.00 0.00 H new ATOM 1066 N PRO B 186 -1.548 12.598 7.850 1.00 0.00 N ATOM 1067 CA PRO B 186 -1.354 11.532 8.839 1.00 0.00 C ATOM 1068 C PRO B 186 0.019 11.607 9.510 1.00 0.00 C ATOM 1069 O PRO B 186 1.045 11.484 8.840 1.00 0.00 O ATOM 1070 CB PRO B 186 -1.469 10.250 8.013 1.00 0.00 C ATOM 1071 CG PRO B 186 -1.092 10.655 6.631 1.00 0.00 C ATOM 1072 CD PRO B 186 -1.575 12.069 6.471 1.00 0.00 C ATOM 0 HA PRO B 186 -2.077 11.598 9.652 1.00 0.00 H new ATOM 0 HB2 PRO B 186 -0.805 9.473 8.393 1.00 0.00 H new ATOM 0 HB3 PRO B 186 -2.482 9.848 8.045 1.00 0.00 H new ATOM 0 HG2 PRO B 186 -0.014 10.592 6.486 1.00 0.00 H new ATOM 0 HG3 PRO B 186 -1.552 9.999 5.892 1.00 0.00 H new ATOM 0 HD2 PRO B 186 -0.927 12.642 5.808 1.00 0.00 H new ATOM 0 HD3 PRO B 186 -2.578 12.105 6.046 1.00 0.00 H new ATOM 1080 N PRO B 187 0.057 11.817 10.842 1.00 0.00 N ATOM 1081 CA PRO B 187 1.315 11.899 11.593 1.00 0.00 C ATOM 1082 C PRO B 187 2.285 10.751 11.278 1.00 0.00 C ATOM 1083 O PRO B 187 3.465 10.998 11.028 1.00 0.00 O ATOM 1084 CB PRO B 187 0.864 11.851 13.054 1.00 0.00 C ATOM 1085 CG PRO B 187 -0.515 12.412 13.039 1.00 0.00 C ATOM 1086 CD PRO B 187 -1.118 12.007 11.720 1.00 0.00 C ATOM 0 HA PRO B 187 1.875 12.798 11.337 1.00 0.00 H new ATOM 0 HB2 PRO B 187 0.873 10.831 13.439 1.00 0.00 H new ATOM 0 HB3 PRO B 187 1.524 12.438 13.692 1.00 0.00 H new ATOM 0 HG2 PRO B 187 -1.102 12.024 13.871 1.00 0.00 H new ATOM 0 HG3 PRO B 187 -0.495 13.497 13.141 1.00 0.00 H new ATOM 0 HD2 PRO B 187 -1.702 11.091 11.811 1.00 0.00 H new ATOM 0 HD3 PRO B 187 -1.787 12.775 11.333 1.00 0.00 H new ATOM 1094 N PRO B 188 1.819 9.479 11.278 1.00 0.00 N ATOM 1095 CA PRO B 188 2.690 8.337 10.984 1.00 0.00 C ATOM 1096 C PRO B 188 3.015 8.224 9.497 1.00 0.00 C ATOM 1097 O PRO B 188 2.118 8.248 8.654 1.00 0.00 O ATOM 1098 CB PRO B 188 1.864 7.136 11.443 1.00 0.00 C ATOM 1099 CG PRO B 188 0.450 7.569 11.277 1.00 0.00 C ATOM 1100 CD PRO B 188 0.430 9.048 11.558 1.00 0.00 C ATOM 0 HA PRO B 188 3.657 8.422 11.480 1.00 0.00 H new ATOM 0 HB2 PRO B 188 2.081 6.252 10.843 1.00 0.00 H new ATOM 0 HB3 PRO B 188 2.081 6.878 12.480 1.00 0.00 H new ATOM 0 HG2 PRO B 188 0.094 7.359 10.268 1.00 0.00 H new ATOM 0 HG3 PRO B 188 -0.205 7.033 11.964 1.00 0.00 H new ATOM 0 HD2 PRO B 188 -0.286 9.567 10.921 1.00 0.00 H new ATOM 0 HD3 PRO B 188 0.147 9.255 12.590 1.00 0.00 H new ATOM 1108 N VAL B 189 4.301 8.103 9.185 1.00 0.00 N ATOM 1109 CA VAL B 189 4.744 7.988 7.800 1.00 0.00 C ATOM 1110 C VAL B 189 5.210 6.569 7.482 1.00 0.00 C ATOM 1111 O VAL B 189 6.107 6.038 8.139 1.00 0.00 O ATOM 1112 CB VAL B 189 5.883 8.979 7.489 1.00 0.00 C ATOM 1113 CG1 VAL B 189 5.371 10.411 7.527 1.00 0.00 C ATOM 1114 CG2 VAL B 189 7.037 8.798 8.464 1.00 0.00 C ATOM 0 H VAL B 189 5.055 8.082 9.872 1.00 0.00 H new ATOM 0 HA VAL B 189 3.885 8.229 7.174 1.00 0.00 H new ATOM 0 HB VAL B 189 6.250 8.771 6.484 1.00 0.00 H new ATOM 0 HG11 VAL B 189 6.189 11.096 7.305 1.00 0.00 H new ATOM 0 HG12 VAL B 189 4.582 10.535 6.785 1.00 0.00 H new ATOM 0 HG13 VAL B 189 4.974 10.629 8.518 1.00 0.00 H new ATOM 0 HG21 VAL B 189 7.829 9.508 8.226 1.00 0.00 H new ATOM 0 HG22 VAL B 189 6.686 8.974 9.481 1.00 0.00 H new ATOM 0 HG23 VAL B 189 7.424 7.782 8.385 1.00 0.00 H new ATOM 1124 N ILE B 190 4.585 5.959 6.475 1.00 0.00 N ATOM 1125 CA ILE B 190 4.928 4.600 6.057 1.00 0.00 C ATOM 1126 C ILE B 190 4.644 3.588 7.167 1.00 0.00 C ATOM 1127 O ILE B 190 4.644 3.929 8.350 1.00 0.00 O ATOM 1128 CB ILE B 190 6.411 4.498 5.639 1.00 0.00 C ATOM 1129 CG1 ILE B 190 6.771 5.633 4.677 1.00 0.00 C ATOM 1130 CG2 ILE B 190 6.695 3.146 4.998 1.00 0.00 C ATOM 1131 CD1 ILE B 190 8.254 5.730 4.383 1.00 0.00 C ATOM 0 H ILE B 190 3.835 6.387 5.932 1.00 0.00 H new ATOM 0 HA ILE B 190 4.301 4.367 5.197 1.00 0.00 H new ATOM 0 HB ILE B 190 7.029 4.590 6.532 1.00 0.00 H new ATOM 0 HG12 ILE B 190 6.232 5.489 3.741 1.00 0.00 H new ATOM 0 HG13 ILE B 190 6.430 6.578 5.099 1.00 0.00 H new ATOM 0 HG21 ILE B 190 7.745 3.093 4.710 1.00 0.00 H new ATOM 0 HG22 ILE B 190 6.474 2.352 5.711 1.00 0.00 H new ATOM 0 HG23 ILE B 190 6.070 3.024 4.113 1.00 0.00 H new ATOM 0 HD11 ILE B 190 8.435 6.556 3.695 1.00 0.00 H new ATOM 0 HD12 ILE B 190 8.798 5.905 5.311 1.00 0.00 H new ATOM 0 HD13 ILE B 190 8.597 4.799 3.931 1.00 0.00 H new ATOM 1143 N ALA B 191 4.395 2.342 6.778 1.00 0.00 N ATOM 1144 CA ALA B 191 4.108 1.283 7.738 1.00 0.00 C ATOM 1145 C ALA B 191 5.310 1.029 8.648 1.00 0.00 C ATOM 1146 O ALA B 191 6.454 1.218 8.238 1.00 0.00 O ATOM 1147 CB ALA B 191 3.713 0.006 7.011 1.00 0.00 C ATOM 0 H ALA B 191 4.386 2.041 5.804 1.00 0.00 H new ATOM 0 HA ALA B 191 3.274 1.605 8.362 1.00 0.00 H new ATOM 0 HB1 ALA B 191 3.501 -0.777 7.739 1.00 0.00 H new ATOM 0 HB2 ALA B 191 2.824 0.191 6.408 1.00 0.00 H new ATOM 0 HB3 ALA B 191 4.530 -0.312 6.364 1.00 0.00 H new ATOM 1153 N PRO B 192 5.065 0.594 9.900 1.00 0.00 N ATOM 1154 CA PRO B 192 6.140 0.317 10.859 1.00 0.00 C ATOM 1155 C PRO B 192 6.925 -0.939 10.498 1.00 0.00 C ATOM 1156 O PRO B 192 6.402 -2.051 10.567 1.00 0.00 O ATOM 1157 CB PRO B 192 5.396 0.123 12.181 1.00 0.00 C ATOM 1158 CG PRO B 192 4.040 -0.344 11.784 1.00 0.00 C ATOM 1159 CD PRO B 192 3.731 0.339 10.479 1.00 0.00 C ATOM 0 HA PRO B 192 6.880 1.117 10.886 1.00 0.00 H new ATOM 0 HB2 PRO B 192 5.898 -0.609 12.814 1.00 0.00 H new ATOM 0 HB3 PRO B 192 5.345 1.053 12.747 1.00 0.00 H new ATOM 0 HG2 PRO B 192 4.018 -1.428 11.672 1.00 0.00 H new ATOM 0 HG3 PRO B 192 3.301 -0.087 12.543 1.00 0.00 H new ATOM 0 HD2 PRO B 192 3.125 -0.292 9.829 1.00 0.00 H new ATOM 0 HD3 PRO B 192 3.176 1.265 10.632 1.00 0.00 H new ATOM 1167 N ARG B 193 8.183 -0.753 10.111 1.00 0.00 N ATOM 1168 CA ARG B 193 9.041 -1.871 9.732 1.00 0.00 C ATOM 1169 C ARG B 193 10.509 -1.443 9.694 1.00 0.00 C ATOM 1170 O ARG B 193 10.950 -0.819 8.728 1.00 0.00 O ATOM 1171 CB ARG B 193 8.622 -2.415 8.363 1.00 0.00 C ATOM 1172 CG ARG B 193 9.438 -3.613 7.900 1.00 0.00 C ATOM 1173 CD ARG B 193 9.016 -4.891 8.608 1.00 0.00 C ATOM 1174 NE ARG B 193 9.373 -4.881 10.024 1.00 0.00 N ATOM 1175 CZ ARG B 193 8.959 -5.794 10.897 1.00 0.00 C ATOM 1176 NH1 ARG B 193 8.174 -6.788 10.502 1.00 0.00 N ATOM 1177 NH2 ARG B 193 9.330 -5.715 12.168 1.00 0.00 N ATOM 0 H ARG B 193 8.631 0.161 10.051 1.00 0.00 H new ATOM 0 HA ARG B 193 8.929 -2.655 10.480 1.00 0.00 H new ATOM 0 HB2 ARG B 193 7.570 -2.697 8.402 1.00 0.00 H new ATOM 0 HB3 ARG B 193 8.712 -1.619 7.624 1.00 0.00 H new ATOM 0 HG2 ARG B 193 9.321 -3.738 6.824 1.00 0.00 H new ATOM 0 HG3 ARG B 193 10.496 -3.426 8.086 1.00 0.00 H new ATOM 0 HD2 ARG B 193 7.938 -5.021 8.508 1.00 0.00 H new ATOM 0 HD3 ARG B 193 9.487 -5.746 8.122 1.00 0.00 H new ATOM 0 HE ARG B 193 9.975 -4.130 10.363 1.00 0.00 H new ATOM 0 HH11 ARG B 193 7.886 -6.853 9.526 1.00 0.00 H new ATOM 0 HH12 ARG B 193 7.858 -7.487 11.175 1.00 0.00 H new ATOM 0 HH21 ARG B 193 9.934 -4.953 12.477 1.00 0.00 H new ATOM 0 HH22 ARG B 193 9.012 -6.416 12.837 1.00 0.00 H new ATOM 1191 N PRO B 194 11.286 -1.764 10.747 1.00 0.00 N ATOM 1192 CA PRO B 194 12.710 -1.407 10.810 1.00 0.00 C ATOM 1193 C PRO B 194 13.496 -1.984 9.637 1.00 0.00 C ATOM 1194 O PRO B 194 14.596 -1.526 9.327 1.00 0.00 O ATOM 1195 CB PRO B 194 13.183 -2.026 12.130 1.00 0.00 C ATOM 1196 CG PRO B 194 11.944 -2.204 12.940 1.00 0.00 C ATOM 1197 CD PRO B 194 10.847 -2.486 11.956 1.00 0.00 C ATOM 0 HA PRO B 194 12.863 -0.329 10.758 1.00 0.00 H new ATOM 0 HB2 PRO B 194 13.684 -2.979 11.961 1.00 0.00 H new ATOM 0 HB3 PRO B 194 13.896 -1.376 12.637 1.00 0.00 H new ATOM 0 HG2 PRO B 194 12.055 -3.026 13.648 1.00 0.00 H new ATOM 0 HG3 PRO B 194 11.726 -1.309 13.522 1.00 0.00 H new ATOM 0 HD2 PRO B 194 10.738 -3.554 11.770 1.00 0.00 H new ATOM 0 HD3 PRO B 194 9.883 -2.125 12.313 1.00 0.00 H new ATOM 1205 N GLU B 195 12.920 -2.993 8.990 1.00 0.00 N ATOM 1206 CA GLU B 195 13.557 -3.636 7.847 1.00 0.00 C ATOM 1207 C GLU B 195 13.054 -3.034 6.538 1.00 0.00 C ATOM 1208 O GLU B 195 12.172 -2.176 6.538 1.00 0.00 O ATOM 1209 CB GLU B 195 13.279 -5.141 7.869 1.00 0.00 C ATOM 1210 CG GLU B 195 13.853 -5.848 9.087 1.00 0.00 C ATOM 1211 CD GLU B 195 13.481 -7.318 9.135 1.00 0.00 C ATOM 1212 OE1 GLU B 195 14.166 -8.126 8.474 1.00 0.00 O ATOM 1213 OE2 GLU B 195 12.504 -7.661 9.834 1.00 0.00 O ATOM 0 H GLU B 195 12.011 -3.383 9.239 1.00 0.00 H new ATOM 0 HA GLU B 195 14.632 -3.468 7.914 1.00 0.00 H new ATOM 0 HB2 GLU B 195 12.202 -5.304 7.839 1.00 0.00 H new ATOM 0 HB3 GLU B 195 13.695 -5.592 6.968 1.00 0.00 H new ATOM 0 HG2 GLU B 195 14.939 -5.751 9.081 1.00 0.00 H new ATOM 0 HG3 GLU B 195 13.494 -5.356 9.991 1.00 0.00 H new ATOM 1220 N HIS B 196 13.622 -3.491 5.425 1.00 0.00 N ATOM 1221 CA HIS B 196 13.229 -2.998 4.108 1.00 0.00 C ATOM 1222 C HIS B 196 12.807 -4.151 3.204 1.00 0.00 C ATOM 1223 O HIS B 196 13.377 -5.240 3.266 1.00 0.00 O ATOM 1224 CB HIS B 196 14.381 -2.224 3.465 1.00 0.00 C ATOM 1225 CG HIS B 196 14.848 -1.059 4.282 1.00 0.00 C ATOM 1226 ND1 HIS B 196 15.955 -1.109 5.103 1.00 0.00 N ATOM 1227 CD2 HIS B 196 14.352 0.196 4.401 1.00 0.00 C ATOM 1228 CE1 HIS B 196 16.120 0.062 5.691 1.00 0.00 C ATOM 1229 NE2 HIS B 196 15.161 0.871 5.280 1.00 0.00 N ATOM 0 H HIS B 196 14.355 -4.201 5.409 1.00 0.00 H new ATOM 0 HA HIS B 196 12.379 -2.328 4.235 1.00 0.00 H new ATOM 0 HB2 HIS B 196 15.218 -2.903 3.303 1.00 0.00 H new ATOM 0 HB3 HIS B 196 14.066 -1.867 2.485 1.00 0.00 H new ATOM 0 HD2 HIS B 196 13.482 0.591 3.898 1.00 0.00 H new ATOM 0 HE1 HIS B 196 16.905 0.315 6.389 1.00 0.00 H new ATOM 0 HE2 HIS B 196 15.041 1.842 5.569 1.00 0.00 H new ATOM 1238 N THR B 197 11.804 -3.904 2.363 1.00 0.00 N ATOM 1239 CA THR B 197 11.303 -4.924 1.448 1.00 0.00 C ATOM 1240 C THR B 197 10.867 -6.168 2.221 1.00 0.00 C ATOM 1241 O THR B 197 10.990 -7.293 1.734 1.00 0.00 O ATOM 1242 CB THR B 197 12.370 -5.315 0.407 1.00 0.00 C ATOM 1243 OG1 THR B 197 13.101 -4.152 -0.004 1.00 0.00 O ATOM 1244 CG2 THR B 197 11.730 -5.964 -0.812 1.00 0.00 C ATOM 0 H THR B 197 11.324 -3.007 2.297 1.00 0.00 H new ATOM 0 HA THR B 197 10.445 -4.502 0.925 1.00 0.00 H new ATOM 0 HB THR B 197 13.048 -6.032 0.870 1.00 0.00 H new ATOM 0 HG1 THR B 197 13.778 -4.408 -0.664 1.00 0.00 H new ATOM 0 HG21 THR B 197 12.505 -6.230 -1.531 1.00 0.00 H new ATOM 0 HG22 THR B 197 11.194 -6.863 -0.506 1.00 0.00 H new ATOM 0 HG23 THR B 197 11.032 -5.264 -1.273 1.00 0.00 H new ATOM 1252 N LYS B 198 10.348 -5.947 3.429 1.00 0.00 N ATOM 1253 CA LYS B 198 9.890 -7.033 4.293 1.00 0.00 C ATOM 1254 C LYS B 198 11.044 -7.966 4.655 1.00 0.00 C ATOM 1255 O LYS B 198 11.675 -7.805 5.701 1.00 0.00 O ATOM 1256 CB LYS B 198 8.759 -7.821 3.623 1.00 0.00 C ATOM 1257 CG LYS B 198 8.185 -8.930 4.492 1.00 0.00 C ATOM 1258 CD LYS B 198 7.520 -8.376 5.744 1.00 0.00 C ATOM 1259 CE LYS B 198 6.905 -9.482 6.583 1.00 0.00 C ATOM 1260 NZ LYS B 198 7.916 -10.494 6.999 1.00 0.00 N ATOM 0 H LYS B 198 10.234 -5.017 3.833 1.00 0.00 H new ATOM 0 HA LYS B 198 9.506 -6.590 5.212 1.00 0.00 H new ATOM 0 HB2 LYS B 198 7.959 -7.132 3.354 1.00 0.00 H new ATOM 0 HB3 LYS B 198 9.131 -8.255 2.695 1.00 0.00 H new ATOM 0 HG2 LYS B 198 7.458 -9.504 3.917 1.00 0.00 H new ATOM 0 HG3 LYS B 198 8.981 -9.618 4.777 1.00 0.00 H new ATOM 0 HD2 LYS B 198 8.255 -7.833 6.338 1.00 0.00 H new ATOM 0 HD3 LYS B 198 6.748 -7.660 5.461 1.00 0.00 H new ATOM 0 HE2 LYS B 198 6.439 -9.049 7.469 1.00 0.00 H new ATOM 0 HE3 LYS B 198 6.114 -9.972 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 198 7.514 -11.102 7.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 198 8.181 -11.077 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 198 8.760 -10.011 7.368 1.00 0.00 H new ATOM 1274 N SER B 199 11.318 -8.935 3.786 1.00 0.00 N ATOM 1275 CA SER B 199 12.398 -9.888 4.016 1.00 0.00 C ATOM 1276 C SER B 199 12.659 -10.729 2.770 1.00 0.00 C ATOM 1277 O SER B 199 11.972 -11.721 2.524 1.00 0.00 O ATOM 1278 CB SER B 199 12.068 -10.798 5.202 1.00 0.00 C ATOM 1279 OG SER B 199 10.865 -11.513 4.978 1.00 0.00 O ATOM 0 H SER B 199 10.806 -9.080 2.916 1.00 0.00 H new ATOM 0 HA SER B 199 13.301 -9.322 4.246 1.00 0.00 H new ATOM 0 HB2 SER B 199 12.886 -11.499 5.365 1.00 0.00 H new ATOM 0 HB3 SER B 199 11.976 -10.200 6.109 1.00 0.00 H new ATOM 0 HG SER B 199 10.861 -11.868 4.064 1.00 0.00 H new ATOM 1285 N VAL B 200 13.649 -10.318 1.985 1.00 0.00 N ATOM 1286 CA VAL B 200 14.006 -11.025 0.764 1.00 0.00 C ATOM 1287 C VAL B 200 15.519 -11.016 0.557 1.00 0.00 C ATOM 1288 O VAL B 200 16.285 -10.910 1.515 1.00 0.00 O ATOM 1289 CB VAL B 200 13.320 -10.394 -0.466 1.00 0.00 C ATOM 1290 CG1 VAL B 200 11.814 -10.583 -0.397 1.00 0.00 C ATOM 1291 CG2 VAL B 200 13.672 -8.919 -0.576 1.00 0.00 C ATOM 0 H VAL B 200 14.220 -9.495 2.175 1.00 0.00 H new ATOM 0 HA VAL B 200 13.662 -12.054 0.871 1.00 0.00 H new ATOM 0 HB VAL B 200 13.686 -10.901 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL B 200 11.350 -10.131 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL B 200 11.582 -11.648 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL B 200 11.428 -10.106 0.504 1.00 0.00 H new ATOM 0 HG21 VAL B 200 13.179 -8.491 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL B 200 13.338 -8.397 0.321 1.00 0.00 H new ATOM 0 HG23 VAL B 200 14.752 -8.809 -0.679 1.00 0.00 H new ATOM 1301 N TYR B 201 15.942 -11.127 -0.697 1.00 0.00 N ATOM 1302 CA TYR B 201 17.361 -11.133 -1.032 1.00 0.00 C ATOM 1303 C TYR B 201 17.983 -9.757 -0.800 1.00 0.00 C ATOM 1304 O TYR B 201 17.402 -8.911 -0.120 1.00 0.00 O ATOM 1305 CB TYR B 201 17.555 -11.562 -2.488 1.00 0.00 C ATOM 1306 CG TYR B 201 16.960 -12.917 -2.801 1.00 0.00 C ATOM 1307 CD1 TYR B 201 17.675 -14.085 -2.563 1.00 0.00 C ATOM 1308 CD2 TYR B 201 15.680 -13.028 -3.330 1.00 0.00 C ATOM 1309 CE1 TYR B 201 17.132 -15.323 -2.843 1.00 0.00 C ATOM 1310 CE2 TYR B 201 15.130 -14.264 -3.614 1.00 0.00 C ATOM 1311 CZ TYR B 201 15.860 -15.409 -3.368 1.00 0.00 C ATOM 1312 OH TYR B 201 15.315 -16.641 -3.647 1.00 0.00 O ATOM 0 H TYR B 201 15.320 -11.214 -1.501 1.00 0.00 H new ATOM 0 HA TYR B 201 17.864 -11.847 -0.380 1.00 0.00 H new ATOM 0 HB2 TYR B 201 17.104 -10.816 -3.142 1.00 0.00 H new ATOM 0 HB3 TYR B 201 18.621 -11.581 -2.714 1.00 0.00 H new ATOM 0 HD1 TYR B 201 18.672 -14.023 -2.152 1.00 0.00 H new ATOM 0 HD2 TYR B 201 15.105 -12.134 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR B 201 17.701 -16.221 -2.652 1.00 0.00 H new ATOM 0 HE2 TYR B 201 14.134 -14.333 -4.026 1.00 0.00 H new ATOM 0 HH TYR B 201 14.412 -16.525 -4.010 1.00 0.00 H new ATOM 1322 N THR B 202 19.168 -9.542 -1.367 1.00 0.00 N ATOM 1323 CA THR B 202 19.867 -8.270 -1.220 1.00 0.00 C ATOM 1324 C THR B 202 19.014 -7.105 -1.711 1.00 0.00 C ATOM 1325 O THR B 202 18.072 -7.293 -2.481 1.00 0.00 O ATOM 1326 CB THR B 202 21.204 -8.271 -1.986 1.00 0.00 C ATOM 1327 OG1 THR B 202 20.983 -8.613 -3.359 1.00 0.00 O ATOM 1328 CG2 THR B 202 22.186 -9.253 -1.364 1.00 0.00 C ATOM 0 H THR B 202 19.663 -10.232 -1.932 1.00 0.00 H new ATOM 0 HA THR B 202 20.065 -8.144 -0.155 1.00 0.00 H new ATOM 0 HB THR B 202 21.631 -7.270 -1.926 1.00 0.00 H new ATOM 0 HG1 THR B 202 21.838 -8.610 -3.839 1.00 0.00 H new ATOM 0 HG21 THR B 202 23.122 -9.235 -1.923 1.00 0.00 H new ATOM 0 HG22 THR B 202 22.376 -8.971 -0.328 1.00 0.00 H new ATOM 0 HG23 THR B 202 21.764 -10.258 -1.395 1.00 0.00 H new ATOM 1336 N ARG B 203 19.352 -5.903 -1.255 1.00 0.00 N ATOM 1337 CA ARG B 203 18.620 -4.700 -1.642 1.00 0.00 C ATOM 1338 C ARG B 203 18.670 -4.491 -3.152 1.00 0.00 C ATOM 1339 O ARG B 203 19.748 -4.439 -3.744 1.00 0.00 O ATOM 1340 CB ARG B 203 19.200 -3.476 -0.930 1.00 0.00 C ATOM 1341 CG ARG B 203 19.178 -3.587 0.586 1.00 0.00 C ATOM 1342 CD ARG B 203 19.774 -2.352 1.242 1.00 0.00 C ATOM 1343 NE ARG B 203 19.751 -2.441 2.700 1.00 0.00 N ATOM 1344 CZ ARG B 203 19.911 -1.395 3.505 1.00 0.00 C ATOM 1345 NH1 ARG B 203 20.100 -0.183 2.998 1.00 0.00 N ATOM 1346 NH2 ARG B 203 19.882 -1.560 4.821 1.00 0.00 N ATOM 0 H ARG B 203 20.129 -5.735 -0.616 1.00 0.00 H new ATOM 0 HA ARG B 203 17.579 -4.829 -1.346 1.00 0.00 H new ATOM 0 HB2 ARG B 203 20.228 -3.327 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG B 203 18.638 -2.591 -1.229 1.00 0.00 H new ATOM 0 HG2 ARG B 203 18.152 -3.723 0.927 1.00 0.00 H new ATOM 0 HG3 ARG B 203 19.736 -4.470 0.896 1.00 0.00 H new ATOM 0 HD2 ARG B 203 20.802 -2.222 0.903 1.00 0.00 H new ATOM 0 HD3 ARG B 203 19.219 -1.469 0.924 1.00 0.00 H new ATOM 0 HE ARG B 203 19.604 -3.357 3.124 1.00 0.00 H new ATOM 0 HH11 ARG B 203 20.123 -0.051 1.987 1.00 0.00 H new ATOM 0 HH12 ARG B 203 20.222 0.616 3.620 1.00 0.00 H new ATOM 0 HH21 ARG B 203 19.737 -2.489 5.215 1.00 0.00 H new ATOM 0 HH22 ARG B 203 20.005 -0.757 5.438 1.00 0.00 H new ATOM 1360 N SER B 204 17.495 -4.371 -3.766 1.00 0.00 N ATOM 1361 CA SER B 204 17.395 -4.165 -5.208 1.00 0.00 C ATOM 1362 C SER B 204 18.098 -5.283 -5.973 1.00 0.00 C ATOM 1363 O SER B 204 17.440 -6.305 -6.260 1.00 0.00 O ATOM 1364 CB SER B 204 17.990 -2.809 -5.596 1.00 0.00 C ATOM 1365 OG SER B 204 17.315 -1.749 -4.942 1.00 0.00 O ATOM 1366 OXT SER B 204 19.299 -5.127 -6.278 1.00 0.00 O ATOM 0 H SER B 204 16.596 -4.413 -3.285 1.00 0.00 H new ATOM 0 HA SER B 204 16.339 -4.179 -5.476 1.00 0.00 H new ATOM 0 HB2 SER B 204 19.048 -2.785 -5.336 1.00 0.00 H new ATOM 0 HB3 SER B 204 17.924 -2.675 -6.676 1.00 0.00 H new ATOM 0 HG SER B 204 16.424 -1.637 -5.335 1.00 0.00 H new TER 1372 SER B 204