USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 964 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 61 LYS NZ :NH3+ -136:sc= -0.0232 (180deg=-0.199) USER MOD Set 1.2: A 119 ASN : amide:sc= -2.06 K(o=-2.1,f=-2.8!) USER MOD Set 2.1: A 37 CYS SG : rot -50:sc= 0.877 USER MOD Set 2.2: A 40 CYS SG : rot 88:sc= 0.886 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 0.36 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 143:sc= 0.453 USER MOD Single : A 16 SER OG : rot 55:sc= 0.0368 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.85 K(o=-1.8,f=-0.039) USER MOD Single : A 24 SER OG : rot 160:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -103:sc= 0.0246 USER MOD Single : A 39 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 41 LYS NZ :NH3+ -134:sc= -3.14 (180deg=-6.41!) USER MOD Single : A 42 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0124) USER MOD Single : A 57 GLN : amide:sc= -2.08 K(o=-2.1,f=-1.1) USER MOD Single : A 58 THR OG1 : rot -100:sc= 1.04 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0323 (180deg=-0.27) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -3.89 K(o=-3.9,f=-8.4!) USER MOD Single : A 73 GLN : amide:sc=-0.00367 X(o=-0.0037,f=-0.26) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -13:sc= -1.13 USER MOD Single : A 88 LYS NZ :NH3+ -142:sc= 0.0964 (180deg=-1.48!) USER MOD Single : A 91 GLN : amide:sc= -3.06 K(o=-3.1,f=-7.1!) USER MOD Single : A 92 LYS NZ :NH3+ -158:sc= -0.0312 (180deg=-0.29) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 16:sc= 1.27 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -52:sc= 0.576 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.413 1.112 -9.042 1.00 0.00 N ATOM 2 CA GLY A 1 -12.563 1.897 -8.634 1.00 0.00 C ATOM 3 C GLY A 1 -13.662 1.044 -8.032 1.00 0.00 C ATOM 4 O GLY A 1 -14.530 0.543 -8.746 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.690 1.740 -9.447 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.019 0.618 -8.216 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.705 0.414 -9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.249 2.646 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.956 2.435 -9.496 1.00 0.00 H new ATOM 8 N SER A 2 -13.625 0.878 -6.713 1.00 0.00 N ATOM 9 CA SER A 2 -14.623 0.075 -6.016 1.00 0.00 C ATOM 10 C SER A 2 -14.825 0.578 -4.590 1.00 0.00 C ATOM 11 O SER A 2 -13.983 1.294 -4.048 1.00 0.00 O ATOM 12 CB SER A 2 -14.201 -1.396 -5.995 1.00 0.00 C ATOM 13 OG SER A 2 -14.462 -2.019 -7.241 1.00 0.00 O ATOM 0 H SER A 2 -12.915 1.289 -6.106 1.00 0.00 H new ATOM 0 HA SER A 2 -15.567 0.167 -6.553 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.138 -1.470 -5.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.737 -1.920 -5.203 1.00 0.00 H new ATOM 0 HG SER A 2 -14.644 -1.334 -7.918 1.00 0.00 H new ATOM 19 N SER A 3 -15.947 0.198 -3.988 1.00 0.00 N ATOM 20 CA SER A 3 -16.263 0.613 -2.626 1.00 0.00 C ATOM 21 C SER A 3 -15.541 -0.266 -1.609 1.00 0.00 C ATOM 22 O SER A 3 -14.967 -1.296 -1.959 1.00 0.00 O ATOM 23 CB SER A 3 -17.773 0.551 -2.389 1.00 0.00 C ATOM 24 OG SER A 3 -18.134 1.252 -1.211 1.00 0.00 O ATOM 0 H SER A 3 -16.653 -0.397 -4.422 1.00 0.00 H new ATOM 0 HA SER A 3 -15.924 1.641 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.296 0.978 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.089 -0.489 -2.308 1.00 0.00 H new ATOM 0 HG SER A 3 -19.104 1.199 -1.083 1.00 0.00 H new ATOM 30 N GLY A 4 -15.574 0.151 -0.347 1.00 0.00 N ATOM 31 CA GLY A 4 -14.919 -0.608 0.702 1.00 0.00 C ATOM 32 C GLY A 4 -13.422 -0.376 0.737 1.00 0.00 C ATOM 33 O GLY A 4 -12.691 -0.859 -0.127 1.00 0.00 O ATOM 0 H GLY A 4 -16.043 1.001 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.348 -0.335 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.116 -1.670 0.555 1.00 0.00 H new ATOM 37 N SER A 5 -12.963 0.368 1.739 1.00 0.00 N ATOM 38 CA SER A 5 -11.543 0.668 1.880 1.00 0.00 C ATOM 39 C SER A 5 -11.178 0.890 3.345 1.00 0.00 C ATOM 40 O SER A 5 -12.044 1.155 4.179 1.00 0.00 O ATOM 41 CB SER A 5 -11.178 1.906 1.059 1.00 0.00 C ATOM 42 OG SER A 5 -11.324 1.659 -0.329 1.00 0.00 O ATOM 0 H SER A 5 -13.554 0.774 2.465 1.00 0.00 H new ATOM 0 HA SER A 5 -10.977 -0.186 1.508 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.814 2.741 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.150 2.198 1.273 1.00 0.00 H new ATOM 0 HG SER A 5 -11.086 2.466 -0.832 1.00 0.00 H new ATOM 48 N SER A 6 -9.889 0.780 3.650 1.00 0.00 N ATOM 49 CA SER A 6 -9.408 0.964 5.014 1.00 0.00 C ATOM 50 C SER A 6 -8.717 2.315 5.169 1.00 0.00 C ATOM 51 O SER A 6 -7.968 2.746 4.293 1.00 0.00 O ATOM 52 CB SER A 6 -8.443 -0.161 5.394 1.00 0.00 C ATOM 53 OG SER A 6 -9.023 -1.432 5.154 1.00 0.00 O ATOM 0 H SER A 6 -9.159 0.564 2.971 1.00 0.00 H new ATOM 0 HA SER A 6 -10.268 0.936 5.682 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.522 -0.064 4.820 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.173 -0.073 6.447 1.00 0.00 H new ATOM 0 HG SER A 6 -8.386 -2.134 5.403 1.00 0.00 H new ATOM 59 N GLY A 7 -8.975 2.980 6.291 1.00 0.00 N ATOM 60 CA GLY A 7 -8.371 4.276 6.541 1.00 0.00 C ATOM 61 C GLY A 7 -8.337 5.149 5.302 1.00 0.00 C ATOM 62 O GLY A 7 -9.376 5.613 4.833 1.00 0.00 O ATOM 0 H GLY A 7 -9.591 2.645 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.927 4.787 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.355 4.135 6.910 1.00 0.00 H new ATOM 66 N ASP A 8 -7.140 5.374 4.772 1.00 0.00 N ATOM 67 CA ASP A 8 -6.974 6.198 3.580 1.00 0.00 C ATOM 68 C ASP A 8 -6.085 5.500 2.556 1.00 0.00 C ATOM 69 O ASP A 8 -5.371 6.150 1.793 1.00 0.00 O ATOM 70 CB ASP A 8 -6.377 7.556 3.952 1.00 0.00 C ATOM 71 CG ASP A 8 -6.807 8.657 3.003 1.00 0.00 C ATOM 72 OD1 ASP A 8 -7.887 9.244 3.225 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.063 8.932 2.038 1.00 0.00 O ATOM 0 H ASP A 8 -6.270 4.997 5.149 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.957 6.352 3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.679 7.817 4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.289 7.484 3.951 1.00 0.00 H new ATOM 78 N VAL A 9 -6.132 4.171 2.547 1.00 0.00 N ATOM 79 CA VAL A 9 -5.331 3.384 1.617 1.00 0.00 C ATOM 80 C VAL A 9 -6.076 3.155 0.307 1.00 0.00 C ATOM 81 O VAL A 9 -7.256 2.803 0.306 1.00 0.00 O ATOM 82 CB VAL A 9 -4.946 2.021 2.222 1.00 0.00 C ATOM 83 CG1 VAL A 9 -6.189 1.263 2.663 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.139 1.204 1.224 1.00 0.00 C ATOM 0 H VAL A 9 -6.716 3.617 3.173 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.423 3.955 1.420 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.325 2.195 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.898 0.302 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.723 1.845 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.838 1.098 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.876 0.244 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.733 1.037 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.229 1.745 0.962 1.00 0.00 H new ATOM 94 N ILE A 10 -5.380 3.357 -0.806 1.00 0.00 N ATOM 95 CA ILE A 10 -5.975 3.170 -2.123 1.00 0.00 C ATOM 96 C ILE A 10 -5.825 1.728 -2.595 1.00 0.00 C ATOM 97 O ILE A 10 -4.780 1.108 -2.403 1.00 0.00 O ATOM 98 CB ILE A 10 -5.340 4.108 -3.166 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.422 5.561 -2.694 1.00 0.00 C ATOM 100 CG2 ILE A 10 -6.027 3.945 -4.514 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.349 6.450 -3.283 1.00 0.00 C ATOM 0 H ILE A 10 -4.403 3.650 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.034 3.410 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.290 3.841 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.400 5.965 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.347 5.586 -1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.567 4.615 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.922 2.914 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.085 4.189 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.469 7.465 -2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.367 6.071 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.437 6.455 -4.369 1.00 0.00 H new ATOM 113 N GLU A 11 -6.876 1.201 -3.216 1.00 0.00 N ATOM 114 CA GLU A 11 -6.860 -0.168 -3.716 1.00 0.00 C ATOM 115 C GLU A 11 -6.549 -0.198 -5.210 1.00 0.00 C ATOM 116 O GLU A 11 -7.230 0.443 -6.011 1.00 0.00 O ATOM 117 CB GLU A 11 -8.205 -0.848 -3.451 1.00 0.00 C ATOM 118 CG GLU A 11 -8.114 -2.361 -3.354 1.00 0.00 C ATOM 119 CD GLU A 11 -9.385 -2.989 -2.815 1.00 0.00 C ATOM 120 OE1 GLU A 11 -10.287 -3.289 -3.625 1.00 0.00 O ATOM 121 OE2 GLU A 11 -9.478 -3.180 -1.585 1.00 0.00 O ATOM 0 H GLU A 11 -7.749 1.702 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.076 -0.711 -3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.623 -0.458 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.899 -0.585 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.900 -2.772 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.278 -2.630 -2.708 1.00 0.00 H new ATOM 128 N LEU A 12 -5.514 -0.946 -5.577 1.00 0.00 N ATOM 129 CA LEU A 12 -5.111 -1.060 -6.974 1.00 0.00 C ATOM 130 C LEU A 12 -5.227 -2.502 -7.459 1.00 0.00 C ATOM 131 O LEU A 12 -5.336 -3.431 -6.659 1.00 0.00 O ATOM 132 CB LEU A 12 -3.674 -0.565 -7.153 1.00 0.00 C ATOM 133 CG LEU A 12 -3.371 0.828 -6.599 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.873 1.087 -6.598 1.00 0.00 C ATOM 135 CD2 LEU A 12 -4.098 1.893 -7.407 1.00 0.00 C ATOM 0 H LEU A 12 -4.939 -1.482 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.780 -0.440 -7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.003 -1.278 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.439 -0.570 -8.217 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.728 0.875 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.676 2.083 -6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.376 0.343 -5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.492 1.021 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.871 2.878 -6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.772 1.847 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.173 1.718 -7.356 1.00 0.00 H new ATOM 147 N THR A 13 -5.203 -2.682 -8.776 1.00 0.00 N ATOM 148 CA THR A 13 -5.305 -4.009 -9.368 1.00 0.00 C ATOM 149 C THR A 13 -4.198 -4.243 -10.390 1.00 0.00 C ATOM 150 O THR A 13 -3.379 -3.359 -10.645 1.00 0.00 O ATOM 151 CB THR A 13 -6.670 -4.217 -10.051 1.00 0.00 C ATOM 152 OG1 THR A 13 -6.741 -3.437 -11.250 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.806 -3.827 -9.118 1.00 0.00 C ATOM 0 H THR A 13 -5.114 -1.924 -9.453 1.00 0.00 H new ATOM 0 HA THR A 13 -5.201 -4.726 -8.553 1.00 0.00 H new ATOM 0 HB THR A 13 -6.771 -5.274 -10.299 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.225 -3.939 -11.939 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.760 -3.982 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.766 -4.442 -8.219 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.707 -2.777 -8.844 1.00 0.00 H new ATOM 161 N ASP A 14 -4.178 -5.437 -10.971 1.00 0.00 N ATOM 162 CA ASP A 14 -3.171 -5.785 -11.967 1.00 0.00 C ATOM 163 C ASP A 14 -3.140 -4.755 -13.092 1.00 0.00 C ATOM 164 O ASP A 14 -2.097 -4.520 -13.703 1.00 0.00 O ATOM 165 CB ASP A 14 -3.450 -7.176 -12.540 1.00 0.00 C ATOM 166 CG ASP A 14 -4.857 -7.305 -13.088 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.809 -6.928 -12.374 1.00 0.00 O ATOM 168 OD2 ASP A 14 -5.006 -7.782 -14.232 1.00 0.00 O ATOM 0 H ASP A 14 -4.847 -6.180 -10.770 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.197 -5.790 -11.477 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.733 -7.389 -13.333 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.296 -7.924 -11.762 1.00 0.00 H new ATOM 173 N ASP A 15 -4.289 -4.145 -13.361 1.00 0.00 N ATOM 174 CA ASP A 15 -4.394 -3.140 -14.412 1.00 0.00 C ATOM 175 C ASP A 15 -4.451 -1.736 -13.818 1.00 0.00 C ATOM 176 O ASP A 15 -3.990 -0.773 -14.431 1.00 0.00 O ATOM 177 CB ASP A 15 -5.635 -3.396 -15.269 1.00 0.00 C ATOM 178 CG ASP A 15 -6.900 -3.501 -14.440 1.00 0.00 C ATOM 179 OD1 ASP A 15 -7.200 -4.612 -13.955 1.00 0.00 O ATOM 180 OD2 ASP A 15 -7.590 -2.473 -14.277 1.00 0.00 O ATOM 0 H ASP A 15 -5.161 -4.329 -12.865 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.506 -3.213 -15.041 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.745 -2.589 -15.994 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.498 -4.317 -15.836 1.00 0.00 H new ATOM 185 N SER A 16 -5.020 -1.628 -12.622 1.00 0.00 N ATOM 186 CA SER A 16 -5.142 -0.341 -11.948 1.00 0.00 C ATOM 187 C SER A 16 -3.948 -0.093 -11.031 1.00 0.00 C ATOM 188 O SER A 16 -3.994 0.767 -10.151 1.00 0.00 O ATOM 189 CB SER A 16 -6.440 -0.286 -11.139 1.00 0.00 C ATOM 190 OG SER A 16 -7.564 -0.130 -11.988 1.00 0.00 O ATOM 0 H SER A 16 -5.404 -2.416 -12.100 1.00 0.00 H new ATOM 0 HA SER A 16 -5.163 0.439 -12.709 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.546 -1.199 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.397 0.542 -10.432 1.00 0.00 H new ATOM 0 HG SER A 16 -7.569 -0.844 -12.659 1.00 0.00 H new ATOM 196 N PHE A 17 -2.879 -0.852 -11.244 1.00 0.00 N ATOM 197 CA PHE A 17 -1.671 -0.717 -10.438 1.00 0.00 C ATOM 198 C PHE A 17 -0.637 0.151 -11.149 1.00 0.00 C ATOM 199 O PHE A 17 -0.064 1.065 -10.555 1.00 0.00 O ATOM 200 CB PHE A 17 -1.077 -2.094 -10.136 1.00 0.00 C ATOM 201 CG PHE A 17 0.370 -2.048 -9.735 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.357 -1.826 -10.682 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.743 -2.226 -8.413 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.689 -1.784 -10.316 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.073 -2.184 -8.041 1.00 0.00 C ATOM 206 CZ PHE A 17 3.048 -1.962 -8.994 1.00 0.00 C ATOM 0 H PHE A 17 -2.824 -1.568 -11.969 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.943 -0.233 -9.500 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.652 -2.562 -9.337 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.182 -2.727 -11.017 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.082 -1.684 -11.717 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.015 -2.400 -7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.449 -1.612 -11.064 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.350 -2.325 -7.007 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.088 -1.928 -8.706 1.00 0.00 H new ATOM 216 N ASP A 18 -0.403 -0.142 -12.423 1.00 0.00 N ATOM 217 CA ASP A 18 0.562 0.611 -13.216 1.00 0.00 C ATOM 218 C ASP A 18 -0.054 1.907 -13.733 1.00 0.00 C ATOM 219 O ASP A 18 0.502 2.990 -13.546 1.00 0.00 O ATOM 220 CB ASP A 18 1.060 -0.235 -14.389 1.00 0.00 C ATOM 221 CG ASP A 18 0.014 -1.214 -14.883 1.00 0.00 C ATOM 222 OD1 ASP A 18 -0.999 -0.762 -15.457 1.00 0.00 O ATOM 223 OD2 ASP A 18 0.208 -2.433 -14.696 1.00 0.00 O ATOM 0 H ASP A 18 -0.868 -0.896 -12.929 1.00 0.00 H new ATOM 0 HA ASP A 18 1.407 0.862 -12.574 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.354 0.422 -15.208 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.951 -0.783 -14.085 1.00 0.00 H new ATOM 228 N LYS A 19 -1.205 1.790 -14.386 1.00 0.00 N ATOM 229 CA LYS A 19 -1.898 2.952 -14.931 1.00 0.00 C ATOM 230 C LYS A 19 -2.197 3.970 -13.836 1.00 0.00 C ATOM 231 O LYS A 19 -2.519 5.123 -14.119 1.00 0.00 O ATOM 232 CB LYS A 19 -3.200 2.522 -15.612 1.00 0.00 C ATOM 233 CG LYS A 19 -4.396 2.501 -14.677 1.00 0.00 C ATOM 234 CD LYS A 19 -5.688 2.233 -15.431 1.00 0.00 C ATOM 235 CE LYS A 19 -6.892 2.800 -14.694 1.00 0.00 C ATOM 236 NZ LYS A 19 -8.134 2.711 -15.510 1.00 0.00 N ATOM 0 H LYS A 19 -1.678 0.902 -14.551 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.246 3.420 -15.669 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.408 3.200 -16.440 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.066 1.528 -16.039 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.251 1.733 -13.917 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.469 3.456 -14.156 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.628 2.674 -16.426 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.816 1.159 -15.566 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.033 2.259 -13.758 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.702 3.841 -14.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.931 3.107 -14.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.009 3.248 -16.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.330 1.715 -15.736 1.00 0.00 H new ATOM 250 N ASN A 20 -2.086 3.537 -12.585 1.00 0.00 N ATOM 251 CA ASN A 20 -2.343 4.412 -11.447 1.00 0.00 C ATOM 252 C ASN A 20 -1.036 4.883 -10.816 1.00 0.00 C ATOM 253 O ASN A 20 -0.996 5.910 -10.138 1.00 0.00 O ATOM 254 CB ASN A 20 -3.194 3.687 -10.402 1.00 0.00 C ATOM 255 CG ASN A 20 -4.672 3.709 -10.744 1.00 0.00 C ATOM 256 OD1 ASN A 20 -5.430 4.525 -10.220 1.00 0.00 O ATOM 257 ND2 ASN A 20 -5.088 2.808 -11.627 1.00 0.00 N ATOM 0 H ASN A 20 -1.820 2.585 -12.333 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.887 5.285 -11.808 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.859 2.653 -10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.042 4.152 -9.428 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.071 2.774 -11.896 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.424 2.151 -12.036 1.00 0.00 H new ATOM 264 N VAL A 21 0.032 4.126 -11.045 1.00 0.00 N ATOM 265 CA VAL A 21 1.341 4.466 -10.502 1.00 0.00 C ATOM 266 C VAL A 21 2.239 5.077 -11.572 1.00 0.00 C ATOM 267 O VAL A 21 2.642 6.237 -11.472 1.00 0.00 O ATOM 268 CB VAL A 21 2.040 3.230 -9.906 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.526 3.496 -9.714 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.388 2.832 -8.591 1.00 0.00 C ATOM 0 H VAL A 21 0.016 3.273 -11.603 1.00 0.00 H new ATOM 0 HA VAL A 21 1.174 5.197 -9.711 1.00 0.00 H new ATOM 0 HB VAL A 21 1.931 2.401 -10.605 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.002 2.611 -9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.981 3.729 -10.677 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.660 4.339 -9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.895 1.957 -8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.464 3.657 -7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.338 2.596 -8.762 1.00 0.00 H new ATOM 280 N LEU A 22 2.548 4.291 -12.597 1.00 0.00 N ATOM 281 CA LEU A 22 3.398 4.754 -13.688 1.00 0.00 C ATOM 282 C LEU A 22 2.830 6.021 -14.320 1.00 0.00 C ATOM 283 O LEU A 22 3.573 6.855 -14.838 1.00 0.00 O ATOM 284 CB LEU A 22 3.541 3.661 -14.748 1.00 0.00 C ATOM 285 CG LEU A 22 3.659 2.229 -14.225 1.00 0.00 C ATOM 286 CD1 LEU A 22 3.995 1.272 -15.358 1.00 0.00 C ATOM 287 CD2 LEU A 22 4.709 2.148 -13.126 1.00 0.00 C ATOM 0 H LEU A 22 2.222 3.329 -12.696 1.00 0.00 H new ATOM 0 HA LEU A 22 4.381 4.984 -13.278 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.679 3.713 -15.413 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.423 3.880 -15.350 1.00 0.00 H new ATOM 0 HG LEU A 22 2.697 1.936 -13.804 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.075 0.258 -14.966 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.208 1.309 -16.111 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.944 1.562 -15.810 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.780 1.122 -12.765 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.675 2.461 -13.522 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.425 2.803 -12.303 1.00 0.00 H new ATOM 299 N ASP A 23 1.509 6.158 -14.273 1.00 0.00 N ATOM 300 CA ASP A 23 0.842 7.325 -14.839 1.00 0.00 C ATOM 301 C ASP A 23 0.889 8.501 -13.869 1.00 0.00 C ATOM 302 O ASP A 23 0.241 9.525 -14.086 1.00 0.00 O ATOM 303 CB ASP A 23 -0.610 6.990 -15.184 1.00 0.00 C ATOM 304 CG ASP A 23 -1.135 7.816 -16.342 1.00 0.00 C ATOM 305 OD1 ASP A 23 -0.452 7.875 -17.386 1.00 0.00 O ATOM 306 OD2 ASP A 23 -2.229 8.402 -16.205 1.00 0.00 O ATOM 0 H ASP A 23 0.880 5.476 -13.849 1.00 0.00 H new ATOM 0 HA ASP A 23 1.368 7.608 -15.750 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.686 5.931 -15.432 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.237 7.158 -14.308 1.00 0.00 H new ATOM 311 N SER A 24 1.661 8.348 -12.797 1.00 0.00 N ATOM 312 CA SER A 24 1.789 9.395 -11.791 1.00 0.00 C ATOM 313 C SER A 24 3.255 9.645 -11.451 1.00 0.00 C ATOM 314 O SER A 24 4.071 8.725 -11.464 1.00 0.00 O ATOM 315 CB SER A 24 1.018 9.014 -10.526 1.00 0.00 C ATOM 316 OG SER A 24 1.104 10.037 -9.549 1.00 0.00 O ATOM 0 H SER A 24 2.207 7.509 -12.603 1.00 0.00 H new ATOM 0 HA SER A 24 1.368 10.312 -12.202 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.027 8.831 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.416 8.084 -10.120 1.00 0.00 H new ATOM 0 HG SER A 24 0.373 9.935 -8.904 1.00 0.00 H new ATOM 322 N GLU A 25 3.580 10.898 -11.147 1.00 0.00 N ATOM 323 CA GLU A 25 4.948 11.269 -10.804 1.00 0.00 C ATOM 324 C GLU A 25 5.135 11.319 -9.290 1.00 0.00 C ATOM 325 O GLU A 25 5.994 12.042 -8.784 1.00 0.00 O ATOM 326 CB GLU A 25 5.301 12.626 -11.417 1.00 0.00 C ATOM 327 CG GLU A 25 5.474 12.584 -12.926 1.00 0.00 C ATOM 328 CD GLU A 25 6.293 13.747 -13.452 1.00 0.00 C ATOM 329 OE1 GLU A 25 5.704 14.814 -13.725 1.00 0.00 O ATOM 330 OE2 GLU A 25 7.525 13.590 -13.590 1.00 0.00 O ATOM 0 H GLU A 25 2.916 11.672 -11.131 1.00 0.00 H new ATOM 0 HA GLU A 25 5.616 10.510 -11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.518 13.342 -11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.222 12.992 -10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.957 11.648 -13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.493 12.591 -13.401 1.00 0.00 H new ATOM 337 N ASP A 26 4.325 10.548 -8.574 1.00 0.00 N ATOM 338 CA ASP A 26 4.400 10.503 -7.118 1.00 0.00 C ATOM 339 C ASP A 26 4.742 9.097 -6.635 1.00 0.00 C ATOM 340 O ASP A 26 4.529 8.115 -7.347 1.00 0.00 O ATOM 341 CB ASP A 26 3.076 10.959 -6.504 1.00 0.00 C ATOM 342 CG ASP A 26 2.698 12.366 -6.923 1.00 0.00 C ATOM 343 OD1 ASP A 26 3.611 13.157 -7.241 1.00 0.00 O ATOM 344 OD2 ASP A 26 1.489 12.677 -6.933 1.00 0.00 O ATOM 0 H ASP A 26 3.608 9.945 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 26 5.192 11.180 -6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.285 10.270 -6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.148 10.914 -5.417 1.00 0.00 H new ATOM 349 N VAL A 27 5.274 9.007 -5.420 1.00 0.00 N ATOM 350 CA VAL A 27 5.646 7.722 -4.841 1.00 0.00 C ATOM 351 C VAL A 27 4.411 6.906 -4.476 1.00 0.00 C ATOM 352 O VAL A 27 3.550 7.366 -3.726 1.00 0.00 O ATOM 353 CB VAL A 27 6.518 7.903 -3.584 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.922 6.552 -3.015 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.744 8.745 -3.904 1.00 0.00 C ATOM 0 H VAL A 27 5.457 9.809 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 27 6.220 7.188 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 27 5.932 8.427 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.537 6.700 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.028 5.988 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.490 5.998 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.349 8.863 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.334 8.250 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.429 9.726 -4.261 1.00 0.00 H new ATOM 365 N TRP A 28 4.331 5.694 -5.011 1.00 0.00 N ATOM 366 CA TRP A 28 3.200 4.812 -4.741 1.00 0.00 C ATOM 367 C TRP A 28 3.644 3.582 -3.959 1.00 0.00 C ATOM 368 O TRP A 28 4.363 2.730 -4.480 1.00 0.00 O ATOM 369 CB TRP A 28 2.534 4.387 -6.051 1.00 0.00 C ATOM 370 CG TRP A 28 1.569 5.402 -6.584 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.861 6.467 -7.388 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.158 5.449 -6.349 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.715 7.172 -7.667 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.343 6.568 -7.042 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.732 4.653 -5.623 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.693 6.909 -7.028 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.071 4.993 -5.609 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.542 6.112 -6.308 1.00 0.00 C ATOM 0 H TRP A 28 5.035 5.299 -5.634 1.00 0.00 H new ATOM 0 HA TRP A 28 2.478 5.362 -4.137 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.305 4.202 -6.799 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.009 3.445 -5.894 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.847 6.718 -7.751 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.661 8.010 -8.246 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.379 3.787 -5.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.057 7.772 -7.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.767 4.385 -5.049 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.595 6.350 -6.278 1.00 0.00 H new ATOM 389 N MET A 29 3.211 3.495 -2.705 1.00 0.00 N ATOM 390 CA MET A 29 3.564 2.366 -1.852 1.00 0.00 C ATOM 391 C MET A 29 2.565 1.224 -2.020 1.00 0.00 C ATOM 392 O MET A 29 1.470 1.257 -1.459 1.00 0.00 O ATOM 393 CB MET A 29 3.615 2.803 -0.387 1.00 0.00 C ATOM 394 CG MET A 29 4.971 3.338 0.041 1.00 0.00 C ATOM 395 SD MET A 29 5.113 3.523 1.829 1.00 0.00 S ATOM 396 CE MET A 29 6.411 2.342 2.189 1.00 0.00 C ATOM 0 H MET A 29 2.616 4.192 -2.258 1.00 0.00 H new ATOM 0 HA MET A 29 4.550 2.010 -2.152 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.861 3.572 -0.219 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.352 1.955 0.246 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.751 2.664 -0.314 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.143 4.303 -0.435 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.614 2.340 3.260 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.094 1.347 1.878 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.316 2.620 1.649 1.00 0.00 H new ATOM 406 N VAL A 30 2.951 0.217 -2.797 1.00 0.00 N ATOM 407 CA VAL A 30 2.090 -0.935 -3.038 1.00 0.00 C ATOM 408 C VAL A 30 2.341 -2.034 -2.011 1.00 0.00 C ATOM 409 O VAL A 30 3.448 -2.560 -1.910 1.00 0.00 O ATOM 410 CB VAL A 30 2.304 -1.510 -4.451 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.310 -2.628 -4.729 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.187 -0.410 -5.496 1.00 0.00 C ATOM 0 H VAL A 30 3.854 0.176 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 30 1.062 -0.585 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 30 3.309 -1.928 -4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.476 -3.022 -5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.446 -3.426 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.295 -2.239 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.341 -0.833 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.195 0.039 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.941 0.354 -5.306 1.00 0.00 H new ATOM 422 N GLU A 31 1.304 -2.375 -1.252 1.00 0.00 N ATOM 423 CA GLU A 31 1.414 -3.411 -0.232 1.00 0.00 C ATOM 424 C GLU A 31 0.449 -4.558 -0.517 1.00 0.00 C ATOM 425 O GLU A 31 -0.768 -4.373 -0.528 1.00 0.00 O ATOM 426 CB GLU A 31 1.133 -2.826 1.154 1.00 0.00 C ATOM 427 CG GLU A 31 0.610 -3.846 2.151 1.00 0.00 C ATOM 428 CD GLU A 31 -0.904 -3.946 2.144 1.00 0.00 C ATOM 429 OE1 GLU A 31 -1.547 -3.167 1.410 1.00 0.00 O ATOM 430 OE2 GLU A 31 -1.444 -4.803 2.874 1.00 0.00 O ATOM 0 H GLU A 31 0.380 -1.950 -1.324 1.00 0.00 H new ATOM 0 HA GLU A 31 2.432 -3.800 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.050 -2.385 1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.407 -2.019 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.036 -4.823 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.948 -3.577 3.152 1.00 0.00 H new ATOM 437 N PHE A 32 1.001 -5.745 -0.748 1.00 0.00 N ATOM 438 CA PHE A 32 0.191 -6.923 -1.034 1.00 0.00 C ATOM 439 C PHE A 32 -0.118 -7.695 0.245 1.00 0.00 C ATOM 440 O PHE A 32 0.767 -7.934 1.068 1.00 0.00 O ATOM 441 CB PHE A 32 0.910 -7.833 -2.032 1.00 0.00 C ATOM 442 CG PHE A 32 1.473 -7.098 -3.215 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.686 -6.435 -3.123 1.00 0.00 C ATOM 444 CD2 PHE A 32 0.789 -7.071 -4.420 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.206 -5.758 -4.209 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.304 -6.396 -5.510 1.00 0.00 C ATOM 447 CZ PHE A 32 2.515 -5.739 -5.405 1.00 0.00 C ATOM 0 H PHE A 32 2.007 -5.916 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.750 -6.588 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.719 -8.354 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.214 -8.594 -2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.232 -6.448 -2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.158 -7.584 -4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.152 -5.244 -4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.761 -6.382 -6.443 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.920 -5.212 -6.256 1.00 0.00 H new ATOM 457 N TYR A 33 -1.378 -8.082 0.406 1.00 0.00 N ATOM 458 CA TYR A 33 -1.805 -8.825 1.586 1.00 0.00 C ATOM 459 C TYR A 33 -2.811 -9.910 1.212 1.00 0.00 C ATOM 460 O TYR A 33 -3.264 -9.985 0.070 1.00 0.00 O ATOM 461 CB TYR A 33 -2.420 -7.877 2.616 1.00 0.00 C ATOM 462 CG TYR A 33 -3.819 -7.424 2.264 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.917 -8.236 2.520 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.042 -6.186 1.675 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.197 -7.827 2.199 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.319 -5.769 1.352 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.393 -6.593 1.616 1.00 0.00 C ATOM 468 OH TYR A 33 -7.666 -6.181 1.295 1.00 0.00 O ATOM 0 H TYR A 33 -2.122 -7.894 -0.266 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.927 -9.303 2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.441 -8.373 3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.779 -7.001 2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.767 -9.203 2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.203 -5.539 1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.040 -8.471 2.404 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.475 -4.803 0.895 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.809 -6.282 0.331 1.00 0.00 H new ATOM 478 N ALA A 34 -3.157 -10.747 2.185 1.00 0.00 N ATOM 479 CA ALA A 34 -4.111 -11.826 1.960 1.00 0.00 C ATOM 480 C ALA A 34 -5.295 -11.719 2.915 1.00 0.00 C ATOM 481 O ALA A 34 -5.136 -11.518 4.119 1.00 0.00 O ATOM 482 CB ALA A 34 -3.426 -13.176 2.115 1.00 0.00 C ATOM 0 H ALA A 34 -2.791 -10.698 3.136 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.490 -11.737 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.150 -13.973 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.617 -13.259 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.020 -13.264 3.123 1.00 0.00 H new ATOM 488 N PRO A 35 -6.512 -11.855 2.368 1.00 0.00 N ATOM 489 CA PRO A 35 -7.747 -11.777 3.154 1.00 0.00 C ATOM 490 C PRO A 35 -7.921 -12.976 4.079 1.00 0.00 C ATOM 491 O PRO A 35 -8.874 -13.038 4.856 1.00 0.00 O ATOM 492 CB PRO A 35 -8.845 -11.760 2.088 1.00 0.00 C ATOM 493 CG PRO A 35 -8.239 -12.440 0.909 1.00 0.00 C ATOM 494 CD PRO A 35 -6.776 -12.097 0.939 1.00 0.00 C ATOM 0 HA PRO A 35 -7.758 -10.907 3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.738 -12.283 2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.146 -10.741 1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.388 -13.518 0.962 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.701 -12.099 -0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.164 -12.911 0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.557 -11.216 0.335 1.00 0.00 H new ATOM 502 N TRP A 36 -6.997 -13.925 3.992 1.00 0.00 N ATOM 503 CA TRP A 36 -7.049 -15.122 4.823 1.00 0.00 C ATOM 504 C TRP A 36 -5.759 -15.290 5.618 1.00 0.00 C ATOM 505 O TRP A 36 -5.598 -16.259 6.360 1.00 0.00 O ATOM 506 CB TRP A 36 -7.293 -16.359 3.957 1.00 0.00 C ATOM 507 CG TRP A 36 -6.604 -16.298 2.627 1.00 0.00 C ATOM 508 CD1 TRP A 36 -7.195 -16.167 1.403 1.00 0.00 C ATOM 509 CD2 TRP A 36 -5.194 -16.369 2.389 1.00 0.00 C ATOM 510 NE1 TRP A 36 -6.237 -16.152 0.418 1.00 0.00 N ATOM 511 CE2 TRP A 36 -5.001 -16.273 0.997 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.075 -16.502 3.216 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.736 -16.307 0.417 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.820 -16.536 2.638 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.659 -16.438 1.250 1.00 0.00 C ATOM 0 H TRP A 36 -6.202 -13.889 3.354 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.875 -15.010 5.526 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.952 -17.243 4.495 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.365 -16.477 3.798 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.259 -16.087 1.234 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.417 -16.065 -0.582 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.189 -16.577 4.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.609 -16.233 -0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.948 -16.640 3.267 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.665 -16.466 0.829 1.00 0.00 H new ATOM 526 N CYS A 37 -4.843 -14.341 5.458 1.00 0.00 N ATOM 527 CA CYS A 37 -3.566 -14.384 6.162 1.00 0.00 C ATOM 528 C CYS A 37 -3.631 -13.582 7.457 1.00 0.00 C ATOM 529 O CYS A 37 -3.736 -12.356 7.436 1.00 0.00 O ATOM 530 CB CYS A 37 -2.449 -13.843 5.268 1.00 0.00 C ATOM 531 SG CYS A 37 -0.801 -13.944 6.004 1.00 0.00 S ATOM 0 H CYS A 37 -4.961 -13.533 4.847 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.351 -15.423 6.411 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.450 -14.396 4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.664 -12.802 5.026 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.830 -13.442 7.203 1.00 0.00 H new ATOM 537 N GLY A 38 -3.570 -14.283 8.586 1.00 0.00 N ATOM 538 CA GLY A 38 -3.626 -13.620 9.875 1.00 0.00 C ATOM 539 C GLY A 38 -2.601 -12.510 10.001 1.00 0.00 C ATOM 540 O GLY A 38 -2.954 -11.352 10.224 1.00 0.00 O ATOM 0 H GLY A 38 -3.483 -15.298 8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.624 -13.208 10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.462 -14.353 10.665 1.00 0.00 H new ATOM 544 N HIS A 39 -1.327 -12.864 9.859 1.00 0.00 N ATOM 545 CA HIS A 39 -0.247 -11.888 9.959 1.00 0.00 C ATOM 546 C HIS A 39 -0.585 -10.622 9.179 1.00 0.00 C ATOM 547 O HIS A 39 -0.204 -9.519 9.572 1.00 0.00 O ATOM 548 CB HIS A 39 1.060 -12.488 9.439 1.00 0.00 C ATOM 549 CG HIS A 39 1.249 -13.926 9.812 1.00 0.00 C ATOM 550 ND1 HIS A 39 1.557 -14.908 8.894 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.173 -14.547 11.013 1.00 0.00 C ATOM 552 CE1 HIS A 39 1.662 -16.070 9.513 1.00 0.00 C ATOM 553 NE2 HIS A 39 1.434 -15.878 10.800 1.00 0.00 N ATOM 0 H HIS A 39 -1.018 -13.818 9.675 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.125 -11.624 11.009 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.086 -12.396 8.353 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.897 -11.907 9.828 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.949 -14.082 11.962 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.895 -17.016 9.047 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.449 -16.601 11.519 1.00 0.00 H new ATOM 562 N CYS A 40 -1.301 -10.787 8.072 1.00 0.00 N ATOM 563 CA CYS A 40 -1.689 -9.657 7.236 1.00 0.00 C ATOM 564 C CYS A 40 -2.831 -8.875 7.875 1.00 0.00 C ATOM 565 O CYS A 40 -2.811 -7.644 7.912 1.00 0.00 O ATOM 566 CB CYS A 40 -2.102 -10.143 5.845 1.00 0.00 C ATOM 567 SG CYS A 40 -0.719 -10.672 4.808 1.00 0.00 S ATOM 0 H CYS A 40 -1.625 -11.693 7.733 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.829 -8.995 7.141 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.799 -10.974 5.954 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.638 -9.342 5.336 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.471 -11.930 5.024 1.00 0.00 H new ATOM 573 N LYS A 41 -3.828 -9.597 8.375 1.00 0.00 N ATOM 574 CA LYS A 41 -4.981 -8.972 9.013 1.00 0.00 C ATOM 575 C LYS A 41 -4.539 -7.982 10.086 1.00 0.00 C ATOM 576 O LYS A 41 -5.164 -6.939 10.277 1.00 0.00 O ATOM 577 CB LYS A 41 -5.889 -10.038 9.630 1.00 0.00 C ATOM 578 CG LYS A 41 -6.963 -10.544 8.684 1.00 0.00 C ATOM 579 CD LYS A 41 -7.558 -11.856 9.166 1.00 0.00 C ATOM 580 CE LYS A 41 -6.804 -13.051 8.603 1.00 0.00 C ATOM 581 NZ LYS A 41 -7.382 -13.513 7.311 1.00 0.00 N ATOM 0 H LYS A 41 -3.861 -10.616 8.351 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.537 -8.428 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.278 -10.880 9.956 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.365 -9.627 10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.752 -9.797 8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.538 -10.680 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.533 -11.889 10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.605 -11.913 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.757 -12.784 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.828 -13.868 9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.478 -14.549 7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.318 -13.080 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.755 -13.233 6.530 1.00 0.00 H new ATOM 595 N ASN A 42 -3.457 -8.315 10.782 1.00 0.00 N ATOM 596 CA ASN A 42 -2.931 -7.454 11.835 1.00 0.00 C ATOM 597 C ASN A 42 -2.316 -6.188 11.247 1.00 0.00 C ATOM 598 O ASN A 42 -2.231 -5.157 11.916 1.00 0.00 O ATOM 599 CB ASN A 42 -1.886 -8.205 12.662 1.00 0.00 C ATOM 600 CG ASN A 42 -2.514 -9.085 13.726 1.00 0.00 C ATOM 601 OD1 ASN A 42 -2.375 -8.827 14.922 1.00 0.00 O ATOM 602 ND2 ASN A 42 -3.209 -10.131 13.294 1.00 0.00 N ATOM 0 H ASN A 42 -2.928 -9.174 10.636 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.760 -7.167 12.482 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.276 -8.819 12.000 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.217 -7.487 13.137 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.654 -10.759 13.963 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.298 -10.306 12.293 1.00 0.00 H new ATOM 609 N LEU A 43 -1.890 -6.272 9.991 1.00 0.00 N ATOM 610 CA LEU A 43 -1.283 -5.133 9.311 1.00 0.00 C ATOM 611 C LEU A 43 -2.343 -4.288 8.612 1.00 0.00 C ATOM 612 O LEU A 43 -2.164 -3.086 8.421 1.00 0.00 O ATOM 613 CB LEU A 43 -0.246 -5.615 8.294 1.00 0.00 C ATOM 614 CG LEU A 43 0.190 -4.592 7.245 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.159 -3.587 7.850 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.820 -5.290 6.049 1.00 0.00 C ATOM 0 H LEU A 43 -1.954 -7.117 9.423 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.788 -4.515 10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.638 -5.949 8.837 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.650 -6.486 7.778 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.693 -4.053 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.459 -2.867 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.673 -3.064 8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.040 -4.110 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.124 -4.546 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.693 -5.855 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.095 -5.969 5.601 1.00 0.00 H new ATOM 628 N GLU A 44 -3.447 -4.926 8.237 1.00 0.00 N ATOM 629 CA GLU A 44 -4.537 -4.231 7.560 1.00 0.00 C ATOM 630 C GLU A 44 -4.712 -2.821 8.118 1.00 0.00 C ATOM 631 O GLU A 44 -4.629 -1.827 7.397 1.00 0.00 O ATOM 632 CB GLU A 44 -5.842 -5.016 7.709 1.00 0.00 C ATOM 633 CG GLU A 44 -7.080 -4.137 7.745 1.00 0.00 C ATOM 634 CD GLU A 44 -8.323 -4.860 7.264 1.00 0.00 C ATOM 635 OE1 GLU A 44 -8.197 -5.738 6.385 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.423 -4.548 7.768 1.00 0.00 O ATOM 0 H GLU A 44 -3.611 -5.921 8.390 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.285 -4.156 6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.930 -5.719 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.799 -5.606 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.241 -3.784 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.914 -3.256 7.125 1.00 0.00 H new ATOM 643 N PRO A 45 -4.962 -2.733 9.433 1.00 0.00 N ATOM 644 CA PRO A 45 -5.155 -1.451 10.117 1.00 0.00 C ATOM 645 C PRO A 45 -3.865 -0.643 10.208 1.00 0.00 C ATOM 646 O PRO A 45 -3.893 0.588 10.224 1.00 0.00 O ATOM 647 CB PRO A 45 -5.629 -1.862 11.514 1.00 0.00 C ATOM 648 CG PRO A 45 -5.080 -3.232 11.711 1.00 0.00 C ATOM 649 CD PRO A 45 -5.076 -3.877 10.353 1.00 0.00 C ATOM 0 HA PRO A 45 -5.857 -0.807 9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.261 -1.174 12.275 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.717 -1.858 11.580 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.073 -3.193 12.127 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.692 -3.801 12.411 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.242 -4.569 10.239 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.989 -4.446 10.176 1.00 0.00 H new ATOM 657 N GLU A 46 -2.737 -1.342 10.268 1.00 0.00 N ATOM 658 CA GLU A 46 -1.437 -0.688 10.358 1.00 0.00 C ATOM 659 C GLU A 46 -1.110 0.053 9.065 1.00 0.00 C ATOM 660 O GLU A 46 -0.453 1.094 9.083 1.00 0.00 O ATOM 661 CB GLU A 46 -0.344 -1.715 10.660 1.00 0.00 C ATOM 662 CG GLU A 46 -0.370 -2.229 12.090 1.00 0.00 C ATOM 663 CD GLU A 46 -0.664 -1.135 13.098 1.00 0.00 C ATOM 664 OE1 GLU A 46 -0.141 -0.014 12.925 1.00 0.00 O ATOM 665 OE2 GLU A 46 -1.415 -1.400 14.059 1.00 0.00 O ATOM 0 H GLU A 46 -2.697 -2.361 10.256 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.479 0.037 11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.451 -2.558 9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.629 -1.266 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.125 -3.011 12.177 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.591 -2.686 12.325 1.00 0.00 H new ATOM 672 N TRP A 47 -1.572 -0.492 7.945 1.00 0.00 N ATOM 673 CA TRP A 47 -1.329 0.117 6.642 1.00 0.00 C ATOM 674 C TRP A 47 -2.282 1.282 6.399 1.00 0.00 C ATOM 675 O TRP A 47 -1.886 2.319 5.869 1.00 0.00 O ATOM 676 CB TRP A 47 -1.483 -0.925 5.533 1.00 0.00 C ATOM 677 CG TRP A 47 -0.988 -0.451 4.200 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.748 -0.027 3.147 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.376 -0.355 3.777 1.00 0.00 C ATOM 680 NE1 TRP A 47 -0.938 0.327 2.095 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.370 0.135 2.457 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.603 -0.635 4.385 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.542 0.351 1.737 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.766 -0.421 3.670 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.729 0.069 2.357 1.00 0.00 C ATOM 0 H TRP A 47 -2.117 -1.354 7.913 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.308 0.500 6.632 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.940 -1.827 5.814 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.534 -1.200 5.446 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.827 0.023 3.142 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.258 0.676 1.192 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.641 -1.012 5.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.515 0.728 0.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.719 -0.635 4.130 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.655 0.227 1.824 1.00 0.00 H new ATOM 696 N ALA A 48 -3.540 1.103 6.789 1.00 0.00 N ATOM 697 CA ALA A 48 -4.549 2.140 6.615 1.00 0.00 C ATOM 698 C ALA A 48 -4.151 3.420 7.342 1.00 0.00 C ATOM 699 O ALA A 48 -4.192 4.509 6.770 1.00 0.00 O ATOM 700 CB ALA A 48 -5.902 1.649 7.108 1.00 0.00 C ATOM 0 H ALA A 48 -3.884 0.249 7.228 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.623 2.365 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.646 2.434 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.198 0.767 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.833 1.394 8.166 1.00 0.00 H new ATOM 706 N ALA A 49 -3.768 3.281 8.607 1.00 0.00 N ATOM 707 CA ALA A 49 -3.362 4.427 9.412 1.00 0.00 C ATOM 708 C ALA A 49 -2.098 5.071 8.852 1.00 0.00 C ATOM 709 O ALA A 49 -2.011 6.293 8.740 1.00 0.00 O ATOM 710 CB ALA A 49 -3.145 4.005 10.858 1.00 0.00 C ATOM 0 H ALA A 49 -3.730 2.387 9.096 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.162 5.167 9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.842 4.870 11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.072 3.597 11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.365 3.245 10.902 1.00 0.00 H new ATOM 716 N ALA A 50 -1.121 4.241 8.502 1.00 0.00 N ATOM 717 CA ALA A 50 0.137 4.730 7.953 1.00 0.00 C ATOM 718 C ALA A 50 -0.105 5.651 6.762 1.00 0.00 C ATOM 719 O ALA A 50 0.529 6.698 6.635 1.00 0.00 O ATOM 720 CB ALA A 50 1.026 3.563 7.548 1.00 0.00 C ATOM 0 H ALA A 50 -1.177 3.226 8.589 1.00 0.00 H new ATOM 0 HA ALA A 50 0.643 5.306 8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.962 3.943 7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.236 2.945 8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.518 2.963 6.793 1.00 0.00 H new ATOM 726 N ALA A 51 -1.027 5.253 5.890 1.00 0.00 N ATOM 727 CA ALA A 51 -1.354 6.044 4.710 1.00 0.00 C ATOM 728 C ALA A 51 -1.689 7.483 5.088 1.00 0.00 C ATOM 729 O ALA A 51 -1.181 8.428 4.484 1.00 0.00 O ATOM 730 CB ALA A 51 -2.513 5.411 3.955 1.00 0.00 C ATOM 0 H ALA A 51 -1.560 4.388 5.979 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.478 6.062 4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.746 6.012 3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.237 4.404 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.387 5.363 4.604 1.00 0.00 H new ATOM 736 N SER A 52 -2.546 7.641 6.091 1.00 0.00 N ATOM 737 CA SER A 52 -2.953 8.966 6.547 1.00 0.00 C ATOM 738 C SER A 52 -1.782 9.701 7.192 1.00 0.00 C ATOM 739 O SER A 52 -1.605 10.903 6.993 1.00 0.00 O ATOM 740 CB SER A 52 -4.109 8.853 7.542 1.00 0.00 C ATOM 741 OG SER A 52 -4.918 10.017 7.519 1.00 0.00 O ATOM 0 H SER A 52 -2.972 6.869 6.604 1.00 0.00 H new ATOM 0 HA SER A 52 -3.284 9.536 5.679 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.716 7.980 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.715 8.700 8.547 1.00 0.00 H new ATOM 0 HG SER A 52 -5.651 9.919 8.162 1.00 0.00 H new ATOM 747 N GLU A 53 -0.985 8.970 7.965 1.00 0.00 N ATOM 748 CA GLU A 53 0.168 9.553 8.640 1.00 0.00 C ATOM 749 C GLU A 53 1.284 9.859 7.644 1.00 0.00 C ATOM 750 O GLU A 53 2.229 10.584 7.957 1.00 0.00 O ATOM 751 CB GLU A 53 0.684 8.607 9.726 1.00 0.00 C ATOM 752 CG GLU A 53 2.005 9.044 10.337 1.00 0.00 C ATOM 753 CD GLU A 53 2.172 8.567 11.767 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.873 7.385 12.036 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.601 9.375 12.616 1.00 0.00 O ATOM 0 H GLU A 53 -1.117 7.974 8.139 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.149 10.487 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.064 8.531 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.802 7.610 9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.826 8.660 9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.071 10.132 10.311 1.00 0.00 H new ATOM 762 N VAL A 54 1.168 9.300 6.444 1.00 0.00 N ATOM 763 CA VAL A 54 2.165 9.512 5.402 1.00 0.00 C ATOM 764 C VAL A 54 1.788 10.692 4.513 1.00 0.00 C ATOM 765 O VAL A 54 2.640 11.501 4.142 1.00 0.00 O ATOM 766 CB VAL A 54 2.336 8.257 4.525 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.095 8.595 3.251 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.044 7.157 5.301 1.00 0.00 C ATOM 0 H VAL A 54 0.393 8.696 6.169 1.00 0.00 H new ATOM 0 HA VAL A 54 3.108 9.726 5.905 1.00 0.00 H new ATOM 0 HB VAL A 54 1.347 7.894 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.206 7.696 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.543 9.347 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.081 8.984 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.156 6.278 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.028 7.507 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.456 6.896 6.181 1.00 0.00 H new ATOM 778 N LYS A 55 0.507 10.786 4.175 1.00 0.00 N ATOM 779 CA LYS A 55 0.015 11.868 3.331 1.00 0.00 C ATOM 780 C LYS A 55 -0.017 13.186 4.099 1.00 0.00 C ATOM 781 O LYS A 55 -0.033 14.262 3.502 1.00 0.00 O ATOM 782 CB LYS A 55 -1.384 11.538 2.806 1.00 0.00 C ATOM 783 CG LYS A 55 -2.491 11.819 3.807 1.00 0.00 C ATOM 784 CD LYS A 55 -3.865 11.689 3.170 1.00 0.00 C ATOM 785 CE LYS A 55 -4.927 12.411 3.984 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.276 12.293 3.364 1.00 0.00 N ATOM 0 H LYS A 55 -0.210 10.125 4.473 1.00 0.00 H new ATOM 0 HA LYS A 55 0.697 11.975 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.569 12.116 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.418 10.485 2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.410 11.126 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.370 12.824 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.839 12.098 2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.128 10.635 3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.954 11.999 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.660 13.464 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.949 12.894 3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.230 12.599 2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.592 11.303 3.407 1.00 0.00 H new ATOM 800 N GLU A 56 -0.023 13.092 5.425 1.00 0.00 N ATOM 801 CA GLU A 56 -0.052 14.278 6.273 1.00 0.00 C ATOM 802 C GLU A 56 1.346 14.869 6.430 1.00 0.00 C ATOM 803 O GLU A 56 1.502 16.073 6.630 1.00 0.00 O ATOM 804 CB GLU A 56 -0.630 13.935 7.648 1.00 0.00 C ATOM 805 CG GLU A 56 0.364 13.256 8.574 1.00 0.00 C ATOM 806 CD GLU A 56 -0.092 13.255 10.020 1.00 0.00 C ATOM 807 OE1 GLU A 56 -0.382 14.347 10.552 1.00 0.00 O ATOM 808 OE2 GLU A 56 -0.159 12.162 10.620 1.00 0.00 O ATOM 0 H GLU A 56 -0.008 12.208 5.935 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.690 15.021 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.988 14.850 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.495 13.284 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.518 12.228 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.327 13.762 8.501 1.00 0.00 H new ATOM 815 N GLN A 57 2.358 14.012 6.339 1.00 0.00 N ATOM 816 CA GLN A 57 3.742 14.449 6.473 1.00 0.00 C ATOM 817 C GLN A 57 4.371 14.690 5.104 1.00 0.00 C ATOM 818 O GLN A 57 5.170 15.610 4.930 1.00 0.00 O ATOM 819 CB GLN A 57 4.555 13.408 7.244 1.00 0.00 C ATOM 820 CG GLN A 57 4.144 13.272 8.701 1.00 0.00 C ATOM 821 CD GLN A 57 5.026 12.309 9.470 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.716 12.698 10.413 1.00 0.00 O ATOM 823 NE2 GLN A 57 5.010 11.043 9.070 1.00 0.00 N ATOM 0 H GLN A 57 2.245 13.012 6.173 1.00 0.00 H new ATOM 0 HA GLN A 57 3.749 15.388 7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.449 12.440 6.753 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.611 13.676 7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.181 14.252 9.178 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.110 12.931 8.752 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.423 10.764 8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.584 10.350 9.549 1.00 0.00 H new ATOM 832 N THR A 58 4.006 13.857 4.135 1.00 0.00 N ATOM 833 CA THR A 58 4.535 13.978 2.783 1.00 0.00 C ATOM 834 C THR A 58 3.722 14.973 1.962 1.00 0.00 C ATOM 835 O THR A 58 3.754 14.951 0.731 1.00 0.00 O ATOM 836 CB THR A 58 4.544 12.619 2.059 1.00 0.00 C ATOM 837 OG1 THR A 58 3.202 12.165 1.850 1.00 0.00 O ATOM 838 CG2 THR A 58 5.315 11.583 2.863 1.00 0.00 C ATOM 0 H THR A 58 3.345 13.090 4.262 1.00 0.00 H new ATOM 0 HA THR A 58 5.560 14.338 2.876 1.00 0.00 H new ATOM 0 HB THR A 58 5.037 12.749 1.096 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.970 11.503 2.534 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.308 10.631 2.332 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.344 11.917 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.846 11.457 3.839 1.00 0.00 H new ATOM 846 N LYS A 59 2.994 15.845 2.650 1.00 0.00 N ATOM 847 CA LYS A 59 2.173 16.850 1.985 1.00 0.00 C ATOM 848 C LYS A 59 1.273 16.209 0.933 1.00 0.00 C ATOM 849 O LYS A 59 0.889 16.851 -0.044 1.00 0.00 O ATOM 850 CB LYS A 59 3.060 17.913 1.333 1.00 0.00 C ATOM 851 CG LYS A 59 3.770 18.809 2.332 1.00 0.00 C ATOM 852 CD LYS A 59 2.795 19.730 3.046 1.00 0.00 C ATOM 853 CE LYS A 59 3.523 20.794 3.855 1.00 0.00 C ATOM 854 NZ LYS A 59 2.616 21.474 4.820 1.00 0.00 N ATOM 0 H LYS A 59 2.956 15.876 3.669 1.00 0.00 H new ATOM 0 HA LYS A 59 1.542 17.323 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.804 17.420 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.449 18.530 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.295 18.195 3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.524 19.404 1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.144 20.209 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.156 19.144 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.351 20.336 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.954 21.533 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.149 22.191 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.840 21.933 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.224 20.773 5.481 1.00 0.00 H new ATOM 868 N GLY A 60 0.940 14.939 1.140 1.00 0.00 N ATOM 869 CA GLY A 60 0.087 14.233 0.202 1.00 0.00 C ATOM 870 C GLY A 60 0.837 13.776 -1.033 1.00 0.00 C ATOM 871 O GLY A 60 0.238 13.553 -2.086 1.00 0.00 O ATOM 0 H GLY A 60 1.246 14.386 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.354 13.367 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.736 14.883 -0.096 1.00 0.00 H new ATOM 875 N LYS A 61 2.152 13.637 -0.907 1.00 0.00 N ATOM 876 CA LYS A 61 2.986 13.205 -2.022 1.00 0.00 C ATOM 877 C LYS A 61 3.028 11.683 -2.111 1.00 0.00 C ATOM 878 O LYS A 61 2.549 11.095 -3.081 1.00 0.00 O ATOM 879 CB LYS A 61 4.406 13.756 -1.867 1.00 0.00 C ATOM 880 CG LYS A 61 5.418 13.095 -2.786 1.00 0.00 C ATOM 881 CD LYS A 61 4.966 13.137 -4.236 1.00 0.00 C ATOM 882 CE LYS A 61 6.151 13.162 -5.190 1.00 0.00 C ATOM 883 NZ LYS A 61 6.863 14.470 -5.156 1.00 0.00 N ATOM 0 H LYS A 61 2.664 13.817 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 61 2.550 13.594 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.394 14.828 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.727 13.626 -0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.381 13.597 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.566 12.059 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.344 12.268 -4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.347 14.019 -4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.845 12.364 -4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.805 12.963 -6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.081 14.772 -6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.258 15.183 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.747 14.370 -4.618 1.00 0.00 H new ATOM 897 N VAL A 62 3.603 11.050 -1.094 1.00 0.00 N ATOM 898 CA VAL A 62 3.705 9.596 -1.057 1.00 0.00 C ATOM 899 C VAL A 62 2.357 8.959 -0.737 1.00 0.00 C ATOM 900 O VAL A 62 1.867 9.047 0.389 1.00 0.00 O ATOM 901 CB VAL A 62 4.740 9.132 -0.014 1.00 0.00 C ATOM 902 CG1 VAL A 62 4.996 7.638 -0.144 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.034 9.918 -0.162 1.00 0.00 C ATOM 0 H VAL A 62 4.006 11.521 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 62 4.029 9.276 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 62 4.338 9.322 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.729 7.328 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.065 7.094 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.377 7.420 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.754 9.577 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.443 9.761 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.834 10.979 -0.014 1.00 0.00 H new ATOM 913 N LYS A 63 1.762 8.315 -1.736 1.00 0.00 N ATOM 914 CA LYS A 63 0.471 7.660 -1.562 1.00 0.00 C ATOM 915 C LYS A 63 0.650 6.180 -1.243 1.00 0.00 C ATOM 916 O LYS A 63 1.484 5.501 -1.844 1.00 0.00 O ATOM 917 CB LYS A 63 -0.379 7.821 -2.825 1.00 0.00 C ATOM 918 CG LYS A 63 -0.683 9.268 -3.173 1.00 0.00 C ATOM 919 CD LYS A 63 -1.151 9.409 -4.612 1.00 0.00 C ATOM 920 CE LYS A 63 -2.645 9.153 -4.740 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.449 10.241 -4.118 1.00 0.00 N ATOM 0 H LYS A 63 2.153 8.233 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.039 8.135 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.139 7.356 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.318 7.283 -2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.450 9.651 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.209 9.875 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.920 10.411 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.605 8.708 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.909 9.063 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.893 8.203 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.410 10.233 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.498 10.092 -3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.001 11.159 -4.314 1.00 0.00 H new ATOM 935 N LEU A 64 -0.137 5.684 -0.294 1.00 0.00 N ATOM 936 CA LEU A 64 -0.066 4.283 0.104 1.00 0.00 C ATOM 937 C LEU A 64 -1.270 3.506 -0.420 1.00 0.00 C ATOM 938 O LEU A 64 -2.416 3.858 -0.144 1.00 0.00 O ATOM 939 CB LEU A 64 0.006 4.168 1.628 1.00 0.00 C ATOM 940 CG LEU A 64 1.409 4.169 2.236 1.00 0.00 C ATOM 941 CD1 LEU A 64 2.040 5.548 2.118 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.360 3.726 3.690 1.00 0.00 C ATOM 0 H LEU A 64 -0.832 6.232 0.214 1.00 0.00 H new ATOM 0 HA LEU A 64 0.837 3.853 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.557 4.995 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.497 3.248 1.927 1.00 0.00 H new ATOM 0 HG LEU A 64 2.025 3.461 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.038 5.530 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.110 5.827 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.425 6.276 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.367 3.733 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.728 4.409 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.949 2.718 3.750 1.00 0.00 H new ATOM 954 N ALA A 65 -1.001 2.446 -1.175 1.00 0.00 N ATOM 955 CA ALA A 65 -2.062 1.617 -1.734 1.00 0.00 C ATOM 956 C ALA A 65 -1.865 0.151 -1.364 1.00 0.00 C ATOM 957 O ALA A 65 -0.757 -0.273 -1.037 1.00 0.00 O ATOM 958 CB ALA A 65 -2.117 1.779 -3.246 1.00 0.00 C ATOM 0 H ALA A 65 -0.057 2.141 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.010 1.948 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.914 1.154 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.313 2.822 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.164 1.477 -3.679 1.00 0.00 H new ATOM 964 N ALA A 66 -2.947 -0.618 -1.418 1.00 0.00 N ATOM 965 CA ALA A 66 -2.892 -2.037 -1.090 1.00 0.00 C ATOM 966 C ALA A 66 -3.347 -2.891 -2.269 1.00 0.00 C ATOM 967 O ALA A 66 -4.114 -2.437 -3.118 1.00 0.00 O ATOM 968 CB ALA A 66 -3.746 -2.329 0.136 1.00 0.00 C ATOM 0 H ALA A 66 -3.872 -0.282 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.856 -2.293 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.696 -3.392 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.374 -1.753 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.780 -2.051 -0.066 1.00 0.00 H new ATOM 974 N VAL A 67 -2.869 -4.131 -2.315 1.00 0.00 N ATOM 975 CA VAL A 67 -3.226 -5.048 -3.390 1.00 0.00 C ATOM 976 C VAL A 67 -3.524 -6.441 -2.847 1.00 0.00 C ATOM 977 O VAL A 67 -2.950 -6.864 -1.843 1.00 0.00 O ATOM 978 CB VAL A 67 -2.104 -5.148 -4.440 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.502 -6.099 -5.559 1.00 0.00 C ATOM 980 CG2 VAL A 67 -1.769 -3.771 -4.993 1.00 0.00 C ATOM 0 H VAL A 67 -2.234 -4.523 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.121 -4.646 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.212 -5.548 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.697 -6.157 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.688 -7.090 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.407 -5.732 -6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.974 -3.860 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.655 -3.341 -5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.438 -3.124 -4.181 1.00 0.00 H new ATOM 990 N ASP A 68 -4.426 -7.151 -3.517 1.00 0.00 N ATOM 991 CA ASP A 68 -4.800 -8.498 -3.102 1.00 0.00 C ATOM 992 C ASP A 68 -4.102 -9.545 -3.964 1.00 0.00 C ATOM 993 O ASP A 68 -4.531 -9.831 -5.082 1.00 0.00 O ATOM 994 CB ASP A 68 -6.316 -8.678 -3.187 1.00 0.00 C ATOM 995 CG ASP A 68 -7.073 -7.523 -2.561 1.00 0.00 C ATOM 996 OD1 ASP A 68 -6.618 -7.013 -1.516 1.00 0.00 O ATOM 997 OD2 ASP A 68 -8.119 -7.129 -3.117 1.00 0.00 O ATOM 0 H ASP A 68 -4.911 -6.816 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.483 -8.635 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.609 -8.776 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.597 -9.606 -2.688 1.00 0.00 H new ATOM 1002 N ALA A 69 -3.022 -10.114 -3.438 1.00 0.00 N ATOM 1003 CA ALA A 69 -2.265 -11.129 -4.159 1.00 0.00 C ATOM 1004 C ALA A 69 -3.149 -12.317 -4.524 1.00 0.00 C ATOM 1005 O ALA A 69 -2.778 -13.149 -5.353 1.00 0.00 O ATOM 1006 CB ALA A 69 -1.076 -11.590 -3.328 1.00 0.00 C ATOM 0 H ALA A 69 -2.652 -9.889 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.898 -10.684 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.519 -12.348 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.425 -10.740 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.431 -12.012 -2.388 1.00 0.00 H new ATOM 1012 N THR A 70 -4.320 -12.392 -3.899 1.00 0.00 N ATOM 1013 CA THR A 70 -5.256 -13.479 -4.156 1.00 0.00 C ATOM 1014 C THR A 70 -5.890 -13.342 -5.536 1.00 0.00 C ATOM 1015 O THR A 70 -6.294 -14.333 -6.145 1.00 0.00 O ATOM 1016 CB THR A 70 -6.370 -13.524 -3.093 1.00 0.00 C ATOM 1017 OG1 THR A 70 -7.104 -12.295 -3.100 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.787 -13.765 -1.709 1.00 0.00 C ATOM 0 H THR A 70 -4.643 -11.712 -3.211 1.00 0.00 H new ATOM 0 HA THR A 70 -4.685 -14.406 -4.112 1.00 0.00 H new ATOM 0 HB THR A 70 -7.041 -14.348 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.811 -12.333 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.592 -13.793 -0.975 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.254 -14.716 -1.699 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.096 -12.959 -1.460 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.975 -12.109 -6.024 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.559 -11.844 -7.333 1.00 0.00 C ATOM 1028 C VAL A 71 -5.508 -11.331 -8.310 1.00 0.00 C ATOM 1029 O VAL A 71 -5.551 -11.636 -9.501 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.702 -10.815 -7.240 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -7.146 -9.416 -7.025 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.569 -10.868 -8.489 1.00 0.00 C ATOM 0 H VAL A 71 -5.647 -11.278 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.960 -12.790 -7.698 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.325 -11.067 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.968 -8.703 -6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.572 -9.391 -6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.498 -9.150 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.371 -10.135 -8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.960 -10.642 -9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.998 -11.865 -8.592 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.563 -10.549 -7.797 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.499 -9.993 -8.625 1.00 0.00 C ATOM 1044 C ASN A 72 -2.448 -11.052 -8.944 1.00 0.00 C ATOM 1045 O ASN A 72 -1.654 -11.431 -8.083 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.843 -8.804 -7.919 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.713 -7.562 -7.949 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.490 -6.654 -8.749 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.712 -7.518 -7.075 1.00 0.00 N ATOM 0 H ASN A 72 -4.513 -10.286 -6.813 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.942 -9.652 -9.561 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.632 -9.071 -6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.886 -8.586 -8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.331 -6.708 -7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.860 -8.294 -6.430 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.449 -11.524 -10.186 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.496 -12.539 -10.619 1.00 0.00 C ATOM 1058 C GLN A 73 -0.429 -11.933 -11.524 1.00 0.00 C ATOM 1059 O GLN A 73 0.711 -12.397 -11.553 1.00 0.00 O ATOM 1060 CB GLN A 73 -2.220 -13.670 -11.351 1.00 0.00 C ATOM 1061 CG GLN A 73 -3.347 -14.294 -10.543 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.877 -15.448 -9.680 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -2.197 -16.358 -10.155 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -3.238 -15.416 -8.402 1.00 0.00 N ATOM 0 H GLN A 73 -3.099 -11.220 -10.911 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.008 -12.944 -9.733 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.625 -13.285 -12.287 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.498 -14.444 -11.610 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.799 -13.532 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.124 -14.646 -11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.802 -14.642 -8.051 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.951 -16.165 -7.772 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.806 -10.894 -12.262 1.00 0.00 N ATOM 1074 CA VAL A 74 0.120 -10.224 -13.168 1.00 0.00 C ATOM 1075 C VAL A 74 1.317 -9.659 -12.411 1.00 0.00 C ATOM 1076 O VAL A 74 2.448 -9.698 -12.898 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.574 -9.083 -13.935 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.405 -8.401 -14.879 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.781 -9.609 -14.696 1.00 0.00 C ATOM 0 H VAL A 74 -1.746 -10.498 -12.251 1.00 0.00 H new ATOM 0 HA VAL A 74 0.465 -10.973 -13.880 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.922 -8.344 -13.214 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.103 -7.598 -15.412 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.235 -7.988 -14.306 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.786 -9.128 -15.596 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.259 -8.789 -15.232 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.459 -10.369 -15.408 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.491 -10.046 -13.994 1.00 0.00 H new ATOM 1089 N LEU A 75 1.062 -9.134 -11.218 1.00 0.00 N ATOM 1090 CA LEU A 75 2.119 -8.561 -10.392 1.00 0.00 C ATOM 1091 C LEU A 75 2.770 -9.630 -9.521 1.00 0.00 C ATOM 1092 O LEU A 75 3.981 -9.838 -9.578 1.00 0.00 O ATOM 1093 CB LEU A 75 1.556 -7.443 -9.513 1.00 0.00 C ATOM 1094 CG LEU A 75 0.686 -6.405 -10.221 1.00 0.00 C ATOM 1095 CD1 LEU A 75 0.043 -5.467 -9.211 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.509 -5.619 -11.232 1.00 0.00 C ATOM 0 H LEU A 75 0.132 -9.093 -10.801 1.00 0.00 H new ATOM 0 HA LEU A 75 2.879 -8.147 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.968 -7.897 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.390 -6.926 -9.039 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.107 -6.929 -10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.572 -4.735 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.580 -6.042 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.820 -4.951 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.873 -4.885 -11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.323 -5.107 -10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.921 -6.302 -11.975 1.00 0.00 H new ATOM 1108 N ALA A 76 1.956 -10.307 -8.717 1.00 0.00 N ATOM 1109 CA ALA A 76 2.452 -11.358 -7.837 1.00 0.00 C ATOM 1110 C ALA A 76 3.510 -12.205 -8.536 1.00 0.00 C ATOM 1111 O ALA A 76 4.539 -12.538 -7.949 1.00 0.00 O ATOM 1112 CB ALA A 76 1.302 -12.234 -7.361 1.00 0.00 C ATOM 0 H ALA A 76 0.951 -10.146 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 76 2.916 -10.885 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.687 -13.015 -6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.582 -11.624 -6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.813 -12.691 -8.221 1.00 0.00 H new ATOM 1118 N SER A 77 3.249 -12.551 -9.793 1.00 0.00 N ATOM 1119 CA SER A 77 4.178 -13.364 -10.570 1.00 0.00 C ATOM 1120 C SER A 77 5.332 -12.516 -11.096 1.00 0.00 C ATOM 1121 O SER A 77 6.483 -12.954 -11.109 1.00 0.00 O ATOM 1122 CB SER A 77 3.449 -14.034 -11.736 1.00 0.00 C ATOM 1123 OG SER A 77 2.980 -15.320 -11.372 1.00 0.00 O ATOM 0 H SER A 77 2.403 -12.281 -10.295 1.00 0.00 H new ATOM 0 HA SER A 77 4.585 -14.134 -9.915 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.610 -13.413 -12.050 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.121 -14.117 -12.590 1.00 0.00 H new ATOM 0 HG SER A 77 2.516 -15.727 -12.134 1.00 0.00 H new ATOM 1129 N ARG A 78 5.015 -11.301 -11.530 1.00 0.00 N ATOM 1130 CA ARG A 78 6.025 -10.391 -12.059 1.00 0.00 C ATOM 1131 C ARG A 78 7.247 -10.345 -11.147 1.00 0.00 C ATOM 1132 O ARG A 78 8.378 -10.524 -11.598 1.00 0.00 O ATOM 1133 CB ARG A 78 5.442 -8.986 -12.220 1.00 0.00 C ATOM 1134 CG ARG A 78 6.395 -8.003 -12.880 1.00 0.00 C ATOM 1135 CD ARG A 78 5.734 -6.652 -13.104 1.00 0.00 C ATOM 1136 NE ARG A 78 6.704 -5.621 -13.463 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.368 -4.436 -13.961 1.00 0.00 C ATOM 1138 NH1 ARG A 78 5.092 -4.134 -14.157 1.00 0.00 N ATOM 1139 NH2 ARG A 78 7.308 -3.550 -14.263 1.00 0.00 N ATOM 0 H ARG A 78 4.067 -10.923 -11.526 1.00 0.00 H new ATOM 0 HA ARG A 78 6.336 -10.762 -13.036 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.529 -9.046 -12.812 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.161 -8.604 -11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.280 -7.877 -12.256 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.733 -8.407 -13.834 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.989 -6.740 -13.895 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.205 -6.353 -12.199 1.00 0.00 H new ATOM 0 HE ARG A 78 7.694 -5.822 -13.324 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.366 -4.812 -13.925 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.836 -3.224 -14.539 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.291 -3.778 -14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.048 -2.641 -14.645 1.00 0.00 H new ATOM 1153 N TYR A 79 7.010 -10.104 -9.862 1.00 0.00 N ATOM 1154 CA TYR A 79 8.092 -10.031 -8.886 1.00 0.00 C ATOM 1155 C TYR A 79 8.196 -11.329 -8.091 1.00 0.00 C ATOM 1156 O TYR A 79 9.237 -11.633 -7.510 1.00 0.00 O ATOM 1157 CB TYR A 79 7.870 -8.854 -7.935 1.00 0.00 C ATOM 1158 CG TYR A 79 7.313 -7.624 -8.614 1.00 0.00 C ATOM 1159 CD1 TYR A 79 5.951 -7.496 -8.856 1.00 0.00 C ATOM 1160 CD2 TYR A 79 8.149 -6.588 -9.014 1.00 0.00 C ATOM 1161 CE1 TYR A 79 5.437 -6.374 -9.476 1.00 0.00 C ATOM 1162 CE2 TYR A 79 7.644 -5.461 -9.634 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.288 -5.359 -9.864 1.00 0.00 C ATOM 1164 OH TYR A 79 5.780 -4.239 -10.481 1.00 0.00 O ATOM 0 H TYR A 79 6.079 -9.956 -9.472 1.00 0.00 H new ATOM 0 HA TYR A 79 9.026 -9.881 -9.427 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.188 -9.162 -7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.817 -8.599 -7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.282 -8.288 -8.554 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.212 -6.665 -8.837 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.375 -6.291 -9.656 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.308 -4.664 -9.937 1.00 0.00 H new ATOM 0 HH TYR A 79 6.511 -3.620 -10.689 1.00 0.00 H new ATOM 1174 N GLY A 80 7.108 -12.093 -8.071 1.00 0.00 N ATOM 1175 CA GLY A 80 7.096 -13.350 -7.346 1.00 0.00 C ATOM 1176 C GLY A 80 6.885 -13.158 -5.857 1.00 0.00 C ATOM 1177 O GLY A 80 7.719 -13.565 -5.048 1.00 0.00 O ATOM 0 H GLY A 80 6.234 -11.863 -8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.306 -13.987 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.039 -13.871 -7.512 1.00 0.00 H new ATOM 1181 N ILE A 81 5.768 -12.535 -5.495 1.00 0.00 N ATOM 1182 CA ILE A 81 5.451 -12.290 -4.094 1.00 0.00 C ATOM 1183 C ILE A 81 5.367 -13.597 -3.312 1.00 0.00 C ATOM 1184 O ILE A 81 6.257 -13.919 -2.525 1.00 0.00 O ATOM 1185 CB ILE A 81 4.120 -11.528 -3.943 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.144 -10.247 -4.778 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.856 -11.209 -2.479 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.078 -9.188 -4.234 1.00 0.00 C ATOM 0 H ILE A 81 5.068 -12.191 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 81 6.258 -11.679 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 81 3.311 -12.161 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.441 -10.493 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.135 -9.838 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.913 -10.671 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.801 -12.136 -1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.665 -10.591 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.044 -8.308 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.769 -8.913 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.095 -9.579 -4.208 1.00 0.00 H new ATOM 1200 N ARG A 82 4.293 -14.346 -3.537 1.00 0.00 N ATOM 1201 CA ARG A 82 4.093 -15.619 -2.855 1.00 0.00 C ATOM 1202 C ARG A 82 4.545 -15.533 -1.400 1.00 0.00 C ATOM 1203 O ARG A 82 4.925 -16.535 -0.796 1.00 0.00 O ATOM 1204 CB ARG A 82 4.858 -16.733 -3.572 1.00 0.00 C ATOM 1205 CG ARG A 82 4.047 -17.431 -4.651 1.00 0.00 C ATOM 1206 CD ARG A 82 4.864 -18.504 -5.355 1.00 0.00 C ATOM 1207 NE ARG A 82 4.093 -19.187 -6.390 1.00 0.00 N ATOM 1208 CZ ARG A 82 4.591 -20.144 -7.166 1.00 0.00 C ATOM 1209 NH1 ARG A 82 5.851 -20.528 -7.024 1.00 0.00 N ATOM 1210 NH2 ARG A 82 3.826 -20.718 -8.086 1.00 0.00 N ATOM 0 H ARG A 82 3.548 -14.094 -4.186 1.00 0.00 H new ATOM 0 HA ARG A 82 3.028 -15.849 -2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.759 -16.313 -4.020 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.181 -17.471 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.159 -17.881 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.702 -16.698 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.749 -18.051 -5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.213 -19.232 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 82 3.119 -18.915 -6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.441 -20.089 -6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.231 -21.263 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.855 -20.425 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.209 -21.452 -8.681 1.00 0.00 H new ATOM 1224 N GLY A 83 4.502 -14.326 -0.843 1.00 0.00 N ATOM 1225 CA GLY A 83 4.910 -14.131 0.536 1.00 0.00 C ATOM 1226 C GLY A 83 4.344 -12.858 1.134 1.00 0.00 C ATOM 1227 O GLY A 83 4.976 -11.803 1.081 1.00 0.00 O ATOM 0 H GLY A 83 4.192 -13.481 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.585 -14.984 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.998 -14.101 0.589 1.00 0.00 H new ATOM 1231 N PHE A 84 3.147 -12.956 1.704 1.00 0.00 N ATOM 1232 CA PHE A 84 2.493 -11.803 2.312 1.00 0.00 C ATOM 1233 C PHE A 84 2.620 -11.845 3.832 1.00 0.00 C ATOM 1234 O PHE A 84 2.790 -12.903 4.437 1.00 0.00 O ATOM 1235 CB PHE A 84 1.017 -11.758 1.913 1.00 0.00 C ATOM 1236 CG PHE A 84 0.731 -12.425 0.598 1.00 0.00 C ATOM 1237 CD1 PHE A 84 1.261 -11.922 -0.579 1.00 0.00 C ATOM 1238 CD2 PHE A 84 -0.068 -13.555 0.539 1.00 0.00 C ATOM 1239 CE1 PHE A 84 0.998 -12.533 -1.790 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.334 -14.171 -0.670 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.201 -13.660 -1.836 1.00 0.00 C ATOM 0 H PHE A 84 2.611 -13.822 1.757 1.00 0.00 H new ATOM 0 HA PHE A 84 2.988 -10.902 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.424 -12.238 2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.694 -10.718 1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.887 -11.042 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.488 -13.960 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.416 -12.129 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.960 -15.051 -0.702 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.003 -14.140 -2.781 1.00 0.00 H new ATOM 1251 N PRO A 85 2.535 -10.665 4.465 1.00 0.00 N ATOM 1252 CA PRO A 85 2.334 -9.399 3.755 1.00 0.00 C ATOM 1253 C PRO A 85 3.557 -8.987 2.944 1.00 0.00 C ATOM 1254 O PRO A 85 4.647 -9.531 3.125 1.00 0.00 O ATOM 1255 CB PRO A 85 2.078 -8.397 4.884 1.00 0.00 C ATOM 1256 CG PRO A 85 2.753 -8.986 6.074 1.00 0.00 C ATOM 1257 CD PRO A 85 2.631 -10.477 5.922 1.00 0.00 C ATOM 0 HA PRO A 85 1.522 -9.463 3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.487 -7.416 4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.011 -8.263 5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.799 -8.682 6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.282 -8.648 6.997 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.495 -10.995 6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.750 -10.863 6.436 1.00 0.00 H new ATOM 1265 N THR A 86 3.371 -8.022 2.049 1.00 0.00 N ATOM 1266 CA THR A 86 4.460 -7.538 1.210 1.00 0.00 C ATOM 1267 C THR A 86 4.368 -6.030 1.006 1.00 0.00 C ATOM 1268 O THR A 86 3.276 -5.478 0.870 1.00 0.00 O ATOM 1269 CB THR A 86 4.460 -8.231 -0.166 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.671 -9.638 -0.005 1.00 0.00 O ATOM 1271 CG2 THR A 86 5.542 -7.650 -1.064 1.00 0.00 C ATOM 0 H THR A 86 2.476 -7.560 1.887 1.00 0.00 H new ATOM 0 HA THR A 86 5.388 -7.776 1.729 1.00 0.00 H new ATOM 0 HB THR A 86 3.491 -8.061 -0.635 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.968 -9.822 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.523 -8.155 -2.030 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.362 -6.585 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.517 -7.794 -0.599 1.00 0.00 H new ATOM 1279 N ILE A 87 5.521 -5.369 0.986 1.00 0.00 N ATOM 1280 CA ILE A 87 5.570 -3.924 0.797 1.00 0.00 C ATOM 1281 C ILE A 87 6.633 -3.539 -0.226 1.00 0.00 C ATOM 1282 O ILE A 87 7.809 -3.867 -0.069 1.00 0.00 O ATOM 1283 CB ILE A 87 5.858 -3.193 2.121 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.792 -3.538 3.162 1.00 0.00 C ATOM 1285 CG2 ILE A 87 5.918 -1.690 1.893 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.264 -3.367 4.589 1.00 0.00 C ATOM 0 H ILE A 87 6.433 -5.811 1.098 1.00 0.00 H new ATOM 0 HA ILE A 87 4.590 -3.620 0.430 1.00 0.00 H new ATOM 0 HB ILE A 87 6.826 -3.523 2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.918 -2.907 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.472 -4.570 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.122 -1.187 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.711 -1.461 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.964 -1.344 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.457 -3.629 5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.119 -4.018 4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.557 -2.330 4.754 1.00 0.00 H new ATOM 1298 N LYS A 88 6.212 -2.841 -1.275 1.00 0.00 N ATOM 1299 CA LYS A 88 7.127 -2.407 -2.324 1.00 0.00 C ATOM 1300 C LYS A 88 6.927 -0.929 -2.643 1.00 0.00 C ATOM 1301 O LYS A 88 5.818 -0.406 -2.538 1.00 0.00 O ATOM 1302 CB LYS A 88 6.921 -3.245 -3.588 1.00 0.00 C ATOM 1303 CG LYS A 88 7.050 -4.740 -3.354 1.00 0.00 C ATOM 1304 CD LYS A 88 8.482 -5.213 -3.545 1.00 0.00 C ATOM 1305 CE LYS A 88 8.580 -6.730 -3.490 1.00 0.00 C ATOM 1306 NZ LYS A 88 9.794 -7.232 -4.191 1.00 0.00 N ATOM 0 H LYS A 88 5.242 -2.563 -1.421 1.00 0.00 H new ATOM 0 HA LYS A 88 8.146 -2.548 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.933 -3.034 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.649 -2.939 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.718 -4.981 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.394 -5.275 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.859 -4.858 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.116 -4.778 -2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.600 -7.055 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.691 -7.168 -3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.565 -8.113 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.120 -6.519 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.546 -7.415 -3.496 1.00 0.00 H new ATOM 1320 N ILE A 89 8.008 -0.262 -3.035 1.00 0.00 N ATOM 1321 CA ILE A 89 7.950 1.155 -3.372 1.00 0.00 C ATOM 1322 C ILE A 89 8.241 1.381 -4.851 1.00 0.00 C ATOM 1323 O ILE A 89 9.143 0.763 -5.419 1.00 0.00 O ATOM 1324 CB ILE A 89 8.948 1.975 -2.533 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.558 1.935 -1.054 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.006 3.410 -3.032 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.097 0.727 -0.319 1.00 0.00 C ATOM 0 H ILE A 89 8.934 -0.680 -3.127 1.00 0.00 H new ATOM 0 HA ILE A 89 6.938 1.491 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 89 9.939 1.534 -2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 89 8.922 2.839 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.471 1.944 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.716 3.977 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.326 3.420 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.018 3.863 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.781 0.765 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.713 -0.182 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.186 0.727 -0.369 1.00 0.00 H new ATOM 1339 N PHE A 90 7.473 2.271 -5.471 1.00 0.00 N ATOM 1340 CA PHE A 90 7.649 2.579 -6.885 1.00 0.00 C ATOM 1341 C PHE A 90 7.730 4.087 -7.107 1.00 0.00 C ATOM 1342 O PHE A 90 6.819 4.828 -6.739 1.00 0.00 O ATOM 1343 CB PHE A 90 6.498 1.993 -7.704 1.00 0.00 C ATOM 1344 CG PHE A 90 6.345 0.507 -7.545 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.777 -0.026 -6.399 1.00 0.00 C ATOM 1346 CD2 PHE A 90 6.770 -0.357 -8.542 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.634 -1.393 -6.250 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.630 -1.724 -8.398 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.063 -2.243 -7.250 1.00 0.00 C ATOM 0 H PHE A 90 6.723 2.791 -5.016 1.00 0.00 H new ATOM 0 HA PHE A 90 8.586 2.130 -7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.568 2.480 -7.409 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.658 2.223 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.442 0.634 -5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.215 0.043 -9.441 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.187 -1.795 -5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.964 -2.387 -9.183 1.00 0.00 H new ATOM 0 HZ PHE A 90 5.956 -3.311 -7.135 1.00 0.00 H new ATOM 1359 N GLN A 91 8.827 4.532 -7.711 1.00 0.00 N ATOM 1360 CA GLN A 91 9.027 5.951 -7.981 1.00 0.00 C ATOM 1361 C GLN A 91 9.047 6.222 -9.481 1.00 0.00 C ATOM 1362 O GLN A 91 9.316 5.327 -10.282 1.00 0.00 O ATOM 1363 CB GLN A 91 10.333 6.433 -7.346 1.00 0.00 C ATOM 1364 CG GLN A 91 10.322 6.392 -5.826 1.00 0.00 C ATOM 1365 CD GLN A 91 10.816 5.069 -5.275 1.00 0.00 C ATOM 1366 OE1 GLN A 91 10.796 4.049 -5.965 1.00 0.00 O ATOM 1367 NE2 GLN A 91 11.264 5.078 -4.025 1.00 0.00 N ATOM 0 H GLN A 91 9.590 3.931 -8.022 1.00 0.00 H new ATOM 0 HA GLN A 91 8.194 6.500 -7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.154 5.817 -7.712 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.531 7.454 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.946 7.198 -5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.309 6.575 -5.469 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.263 5.946 -3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.610 4.217 -3.601 1.00 0.00 H new ATOM 1376 N LYS A 92 8.760 7.464 -9.857 1.00 0.00 N ATOM 1377 CA LYS A 92 8.745 7.855 -11.261 1.00 0.00 C ATOM 1378 C LYS A 92 10.153 8.181 -11.750 1.00 0.00 C ATOM 1379 O LYS A 92 10.720 9.214 -11.395 1.00 0.00 O ATOM 1380 CB LYS A 92 7.830 9.065 -11.466 1.00 0.00 C ATOM 1381 CG LYS A 92 7.856 9.615 -12.881 1.00 0.00 C ATOM 1382 CD LYS A 92 6.793 8.966 -13.752 1.00 0.00 C ATOM 1383 CE LYS A 92 7.334 7.739 -14.469 1.00 0.00 C ATOM 1384 NZ LYS A 92 8.333 8.101 -15.513 1.00 0.00 N ATOM 0 H LYS A 92 8.534 8.218 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 92 8.362 7.016 -11.842 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.808 8.784 -11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.124 9.854 -10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.698 10.693 -12.856 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.840 9.447 -13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.940 8.682 -13.136 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.431 9.687 -14.485 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.794 7.068 -13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.509 7.194 -14.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.400 7.333 -16.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.036 8.976 -15.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.262 8.247 -15.069 1.00 0.00 H new ATOM 1398 N GLY A 93 10.711 7.294 -12.568 1.00 0.00 N ATOM 1399 CA GLY A 93 12.047 7.507 -13.093 1.00 0.00 C ATOM 1400 C GLY A 93 13.015 6.418 -12.675 1.00 0.00 C ATOM 1401 O GLY A 93 13.771 5.902 -13.497 1.00 0.00 O ATOM 0 H GLY A 93 10.262 6.432 -12.876 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.003 7.552 -14.181 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.420 8.472 -12.749 1.00 0.00 H new ATOM 1405 N GLU A 94 12.992 6.070 -11.392 1.00 0.00 N ATOM 1406 CA GLU A 94 13.877 5.037 -10.866 1.00 0.00 C ATOM 1407 C GLU A 94 13.133 3.714 -10.705 1.00 0.00 C ATOM 1408 O GLU A 94 11.913 3.654 -10.854 1.00 0.00 O ATOM 1409 CB GLU A 94 14.463 5.472 -9.521 1.00 0.00 C ATOM 1410 CG GLU A 94 13.415 5.699 -8.445 1.00 0.00 C ATOM 1411 CD GLU A 94 14.022 5.872 -7.067 1.00 0.00 C ATOM 1412 OE1 GLU A 94 14.482 4.864 -6.491 1.00 0.00 O ATOM 1413 OE2 GLU A 94 14.038 7.015 -6.564 1.00 0.00 O ATOM 0 H GLU A 94 12.371 6.488 -10.699 1.00 0.00 H new ATOM 0 HA GLU A 94 14.689 4.893 -11.578 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.165 4.712 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.031 6.391 -9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.830 6.584 -8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.725 4.855 -8.431 1.00 0.00 H new ATOM 1420 N SER A 95 13.878 2.657 -10.399 1.00 0.00 N ATOM 1421 CA SER A 95 13.291 1.334 -10.221 1.00 0.00 C ATOM 1422 C SER A 95 12.742 1.168 -8.808 1.00 0.00 C ATOM 1423 O SER A 95 13.207 1.795 -7.856 1.00 0.00 O ATOM 1424 CB SER A 95 14.331 0.249 -10.506 1.00 0.00 C ATOM 1425 OG SER A 95 15.361 0.260 -9.533 1.00 0.00 O ATOM 0 H SER A 95 14.889 2.691 -10.269 1.00 0.00 H new ATOM 0 HA SER A 95 12.466 1.232 -10.927 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.848 -0.728 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.760 0.404 -11.496 1.00 0.00 H new ATOM 0 HG SER A 95 16.012 -0.444 -9.737 1.00 0.00 H new ATOM 1431 N PRO A 96 11.727 0.303 -8.666 1.00 0.00 N ATOM 1432 CA PRO A 96 11.091 0.034 -7.372 1.00 0.00 C ATOM 1433 C PRO A 96 12.007 -0.734 -6.425 1.00 0.00 C ATOM 1434 O PRO A 96 12.838 -1.531 -6.860 1.00 0.00 O ATOM 1435 CB PRO A 96 9.874 -0.816 -7.746 1.00 0.00 C ATOM 1436 CG PRO A 96 10.246 -1.465 -9.034 1.00 0.00 C ATOM 1437 CD PRO A 96 11.121 -0.479 -9.757 1.00 0.00 C ATOM 0 HA PRO A 96 10.840 0.953 -6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.658 -1.558 -6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.981 -0.201 -7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.775 -2.402 -8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.359 -1.704 -9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.878 -0.980 -10.361 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.543 0.153 -10.431 1.00 0.00 H new ATOM 1445 N VAL A 97 11.848 -0.490 -5.128 1.00 0.00 N ATOM 1446 CA VAL A 97 12.660 -1.159 -4.119 1.00 0.00 C ATOM 1447 C VAL A 97 11.837 -2.180 -3.341 1.00 0.00 C ATOM 1448 O VAL A 97 10.622 -2.274 -3.513 1.00 0.00 O ATOM 1449 CB VAL A 97 13.273 -0.150 -3.131 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.457 0.565 -3.764 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.222 0.848 -2.669 1.00 0.00 C ATOM 0 H VAL A 97 11.164 0.166 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 97 13.464 -1.671 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 97 13.633 -0.695 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.877 1.274 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.217 -0.165 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.126 1.099 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.672 1.554 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.831 1.389 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.409 0.317 -2.174 1.00 0.00 H new ATOM 1461 N ASP A 98 12.507 -2.942 -2.484 1.00 0.00 N ATOM 1462 CA ASP A 98 11.838 -3.956 -1.677 1.00 0.00 C ATOM 1463 C ASP A 98 11.885 -3.591 -0.197 1.00 0.00 C ATOM 1464 O ASP A 98 12.917 -3.740 0.457 1.00 0.00 O ATOM 1465 CB ASP A 98 12.486 -5.324 -1.898 1.00 0.00 C ATOM 1466 CG ASP A 98 12.541 -5.709 -3.364 1.00 0.00 C ATOM 1467 OD1 ASP A 98 12.444 -4.804 -4.219 1.00 0.00 O ATOM 1468 OD2 ASP A 98 12.682 -6.914 -3.655 1.00 0.00 O ATOM 0 H ASP A 98 13.513 -2.877 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 98 10.794 -4.002 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.497 -5.314 -1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.927 -6.081 -1.347 1.00 0.00 H new ATOM 1473 N TYR A 99 10.762 -3.110 0.324 1.00 0.00 N ATOM 1474 CA TYR A 99 10.675 -2.720 1.726 1.00 0.00 C ATOM 1475 C TYR A 99 10.812 -3.934 2.639 1.00 0.00 C ATOM 1476 O TYR A 99 9.936 -4.799 2.676 1.00 0.00 O ATOM 1477 CB TYR A 99 9.348 -2.009 1.999 1.00 0.00 C ATOM 1478 CG TYR A 99 9.208 -1.513 3.420 1.00 0.00 C ATOM 1479 CD1 TYR A 99 8.680 -2.328 4.413 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.606 -0.228 3.770 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.549 -1.878 5.712 1.00 0.00 C ATOM 1482 CE2 TYR A 99 9.481 0.230 5.067 1.00 0.00 C ATOM 1483 CZ TYR A 99 8.951 -0.598 6.035 1.00 0.00 C ATOM 1484 OH TYR A 99 8.824 -0.147 7.328 1.00 0.00 O ATOM 0 H TYR A 99 9.899 -2.981 -0.204 1.00 0.00 H new ATOM 0 HA TYR A 99 11.496 -2.035 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.251 -1.164 1.317 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.528 -2.692 1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.366 -3.331 4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.020 0.424 3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.134 -2.524 6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.796 1.231 5.322 1.00 0.00 H new ATOM 0 HH TYR A 99 8.681 -0.909 7.928 1.00 0.00 H new ATOM 1494 N ASP A 100 11.916 -3.992 3.375 1.00 0.00 N ATOM 1495 CA ASP A 100 12.168 -5.099 4.291 1.00 0.00 C ATOM 1496 C ASP A 100 12.459 -4.585 5.697 1.00 0.00 C ATOM 1497 O ASP A 100 13.604 -4.287 6.036 1.00 0.00 O ATOM 1498 CB ASP A 100 13.340 -5.945 3.791 1.00 0.00 C ATOM 1499 CG ASP A 100 12.924 -6.936 2.722 1.00 0.00 C ATOM 1500 OD1 ASP A 100 11.906 -7.631 2.921 1.00 0.00 O ATOM 1501 OD2 ASP A 100 13.617 -7.018 1.686 1.00 0.00 O ATOM 0 H ASP A 100 12.651 -3.285 3.356 1.00 0.00 H new ATOM 0 HA ASP A 100 11.272 -5.719 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 100 14.114 -5.289 3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.780 -6.484 4.630 1.00 0.00 H new ATOM 1506 N GLY A 101 11.414 -4.484 6.513 1.00 0.00 N ATOM 1507 CA GLY A 101 11.578 -4.005 7.873 1.00 0.00 C ATOM 1508 C GLY A 101 10.294 -4.083 8.674 1.00 0.00 C ATOM 1509 O GLY A 101 9.528 -5.037 8.542 1.00 0.00 O ATOM 0 H GLY A 101 10.457 -4.725 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.350 -4.592 8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.927 -2.973 7.852 1.00 0.00 H new ATOM 1513 N GLY A 102 10.057 -3.076 9.510 1.00 0.00 N ATOM 1514 CA GLY A 102 8.856 -3.055 10.325 1.00 0.00 C ATOM 1515 C GLY A 102 7.601 -2.848 9.502 1.00 0.00 C ATOM 1516 O GLY A 102 7.511 -1.899 8.722 1.00 0.00 O ATOM 0 H GLY A 102 10.675 -2.275 9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.776 -3.994 10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.937 -2.259 11.065 1.00 0.00 H new ATOM 1520 N ARG A 103 6.628 -3.737 9.673 1.00 0.00 N ATOM 1521 CA ARG A 103 5.373 -3.649 8.938 1.00 0.00 C ATOM 1522 C ARG A 103 4.338 -2.849 9.724 1.00 0.00 C ATOM 1523 O ARG A 103 3.134 -2.985 9.503 1.00 0.00 O ATOM 1524 CB ARG A 103 4.832 -5.048 8.639 1.00 0.00 C ATOM 1525 CG ARG A 103 4.566 -5.877 9.884 1.00 0.00 C ATOM 1526 CD ARG A 103 3.140 -5.693 10.381 1.00 0.00 C ATOM 1527 NE ARG A 103 2.701 -6.811 11.212 1.00 0.00 N ATOM 1528 CZ ARG A 103 3.012 -6.939 12.497 1.00 0.00 C ATOM 1529 NH1 ARG A 103 3.758 -6.021 13.096 1.00 0.00 N ATOM 1530 NH2 ARG A 103 2.574 -7.985 13.186 1.00 0.00 N ATOM 0 H ARG A 103 6.685 -4.527 10.315 1.00 0.00 H new ATOM 0 HA ARG A 103 5.568 -3.134 7.997 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.907 -4.957 8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.545 -5.577 8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.744 -6.930 9.666 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.266 -5.591 10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 103 3.072 -4.768 10.953 1.00 0.00 H new ATOM 0 HD3 ARG A 103 2.469 -5.590 9.528 1.00 0.00 H new ATOM 0 HE ARG A 103 2.124 -7.533 10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.094 -5.214 12.570 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.996 -6.121 14.083 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.998 -8.692 12.729 1.00 0.00 H new ATOM 0 HH22 ARG A 103 2.813 -8.082 14.173 1.00 0.00 H new ATOM 1544 N THR A 104 4.814 -2.015 10.642 1.00 0.00 N ATOM 1545 CA THR A 104 3.931 -1.195 11.462 1.00 0.00 C ATOM 1546 C THR A 104 3.856 0.232 10.932 1.00 0.00 C ATOM 1547 O THR A 104 4.873 0.822 10.566 1.00 0.00 O ATOM 1548 CB THR A 104 4.398 -1.162 12.930 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.711 -0.596 13.014 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.403 -2.560 13.528 1.00 0.00 C ATOM 0 H THR A 104 5.807 -1.889 10.837 1.00 0.00 H new ATOM 0 HA THR A 104 2.942 -1.650 11.413 1.00 0.00 H new ATOM 0 HB THR A 104 3.700 -0.545 13.496 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.000 -0.577 13.950 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.736 -2.511 14.565 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.396 -2.976 13.490 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.080 -3.197 12.959 1.00 0.00 H new ATOM 1558 N ARG A 105 2.647 0.781 10.893 1.00 0.00 N ATOM 1559 CA ARG A 105 2.440 2.140 10.407 1.00 0.00 C ATOM 1560 C ARG A 105 3.595 3.047 10.820 1.00 0.00 C ATOM 1561 O ARG A 105 4.061 3.872 10.035 1.00 0.00 O ATOM 1562 CB ARG A 105 1.120 2.700 10.941 1.00 0.00 C ATOM 1563 CG ARG A 105 1.244 3.349 12.310 1.00 0.00 C ATOM 1564 CD ARG A 105 -0.121 3.606 12.929 1.00 0.00 C ATOM 1565 NE ARG A 105 -0.016 4.083 14.306 1.00 0.00 N ATOM 1566 CZ ARG A 105 -1.030 4.615 14.979 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -2.220 4.736 14.405 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.856 5.026 16.228 1.00 0.00 N ATOM 0 H ARG A 105 1.795 0.306 11.192 1.00 0.00 H new ATOM 0 HA ARG A 105 2.398 2.107 9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.734 3.434 10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.388 1.894 10.995 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.828 2.705 12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.787 4.290 12.220 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.658 4.342 12.330 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.708 2.688 12.907 1.00 0.00 H new ATOM 0 HE ARG A 105 0.886 4.003 14.776 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.358 4.420 13.445 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.997 5.145 14.924 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.057 4.934 16.673 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.635 5.434 16.744 1.00 0.00 H new ATOM 1582 N SER A 106 4.050 2.889 12.059 1.00 0.00 N ATOM 1583 CA SER A 106 5.147 3.697 12.579 1.00 0.00 C ATOM 1584 C SER A 106 6.335 3.680 11.622 1.00 0.00 C ATOM 1585 O SER A 106 6.771 4.724 11.136 1.00 0.00 O ATOM 1586 CB SER A 106 5.578 3.185 13.955 1.00 0.00 C ATOM 1587 OG SER A 106 4.806 3.778 14.984 1.00 0.00 O ATOM 0 H SER A 106 3.676 2.209 12.721 1.00 0.00 H new ATOM 0 HA SER A 106 4.795 4.724 12.676 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.470 2.101 13.993 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.633 3.406 14.115 1.00 0.00 H new ATOM 0 HG SER A 106 5.099 3.433 15.853 1.00 0.00 H new ATOM 1593 N ASP A 107 6.855 2.486 11.356 1.00 0.00 N ATOM 1594 CA ASP A 107 7.993 2.331 10.457 1.00 0.00 C ATOM 1595 C ASP A 107 7.595 2.647 9.019 1.00 0.00 C ATOM 1596 O ASP A 107 8.226 3.472 8.357 1.00 0.00 O ATOM 1597 CB ASP A 107 8.549 0.909 10.545 1.00 0.00 C ATOM 1598 CG ASP A 107 9.079 0.579 11.926 1.00 0.00 C ATOM 1599 OD1 ASP A 107 8.706 1.282 12.889 1.00 0.00 O ATOM 1600 OD2 ASP A 107 9.865 -0.384 12.045 1.00 0.00 O ATOM 0 H ASP A 107 6.507 1.612 11.750 1.00 0.00 H new ATOM 0 HA ASP A 107 8.767 3.035 10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.766 0.199 10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.348 0.789 9.814 1.00 0.00 H new ATOM 1605 N ILE A 108 6.547 1.985 8.541 1.00 0.00 N ATOM 1606 CA ILE A 108 6.066 2.196 7.181 1.00 0.00 C ATOM 1607 C ILE A 108 6.068 3.678 6.821 1.00 0.00 C ATOM 1608 O ILE A 108 6.447 4.058 5.713 1.00 0.00 O ATOM 1609 CB ILE A 108 4.643 1.636 6.994 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.628 0.127 7.248 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.131 1.949 5.596 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.308 -0.382 7.783 1.00 0.00 C ATOM 0 H ILE A 108 6.015 1.298 9.075 1.00 0.00 H new ATOM 0 HA ILE A 108 6.748 1.663 6.519 1.00 0.00 H new ATOM 0 HB ILE A 108 3.982 2.113 7.717 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.858 -0.392 6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.418 -0.122 7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.125 1.547 5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.110 3.029 5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.791 1.495 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.370 -1.459 7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.085 0.110 8.730 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.517 -0.164 7.066 1.00 0.00 H new ATOM 1624 N VAL A 109 5.644 4.512 7.765 1.00 0.00 N ATOM 1625 CA VAL A 109 5.599 5.953 7.549 1.00 0.00 C ATOM 1626 C VAL A 109 6.997 6.560 7.604 1.00 0.00 C ATOM 1627 O VAL A 109 7.382 7.337 6.730 1.00 0.00 O ATOM 1628 CB VAL A 109 4.707 6.650 8.593 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.745 8.159 8.406 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.280 6.130 8.507 1.00 0.00 C ATOM 0 H VAL A 109 5.327 4.214 8.687 1.00 0.00 H new ATOM 0 HA VAL A 109 5.175 6.112 6.557 1.00 0.00 H new ATOM 0 HB VAL A 109 5.094 6.421 9.586 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.109 8.634 9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.769 8.514 8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.385 8.411 7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.664 6.633 9.252 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.880 6.327 7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.272 5.056 8.695 1.00 0.00 H new ATOM 1640 N SER A 110 7.752 6.201 8.637 1.00 0.00 N ATOM 1641 CA SER A 110 9.106 6.713 8.809 1.00 0.00 C ATOM 1642 C SER A 110 9.909 6.570 7.519 1.00 0.00 C ATOM 1643 O SER A 110 10.721 7.431 7.182 1.00 0.00 O ATOM 1644 CB SER A 110 9.813 5.974 9.947 1.00 0.00 C ATOM 1645 OG SER A 110 11.213 6.194 9.906 1.00 0.00 O ATOM 0 H SER A 110 7.449 5.557 9.368 1.00 0.00 H new ATOM 0 HA SER A 110 9.038 7.772 9.059 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.417 6.311 10.905 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.607 4.906 9.875 1.00 0.00 H new ATOM 0 HG SER A 110 11.642 5.713 10.644 1.00 0.00 H new ATOM 1651 N ARG A 111 9.674 5.476 6.802 1.00 0.00 N ATOM 1652 CA ARG A 111 10.375 5.218 5.550 1.00 0.00 C ATOM 1653 C ARG A 111 9.876 6.146 4.446 1.00 0.00 C ATOM 1654 O ARG A 111 10.663 6.831 3.794 1.00 0.00 O ATOM 1655 CB ARG A 111 10.188 3.760 5.127 1.00 0.00 C ATOM 1656 CG ARG A 111 10.598 3.485 3.689 1.00 0.00 C ATOM 1657 CD ARG A 111 12.086 3.719 3.479 1.00 0.00 C ATOM 1658 NE ARG A 111 12.574 3.078 2.261 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.802 3.245 1.784 1.00 0.00 C ATOM 1660 NH1 ARG A 111 14.662 4.029 2.420 1.00 0.00 N ATOM 1661 NH2 ARG A 111 14.172 2.628 0.669 1.00 0.00 N ATOM 0 H ARG A 111 9.004 4.754 7.067 1.00 0.00 H new ATOM 0 HA ARG A 111 11.436 5.410 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.770 3.121 5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.141 3.484 5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.350 2.456 3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.029 4.129 3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.281 4.790 3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.638 3.335 4.337 1.00 0.00 H new ATOM 0 HE ARG A 111 11.937 2.469 1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.381 4.505 3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.605 4.156 2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.513 2.025 0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.116 2.757 0.304 1.00 0.00 H new ATOM 1675 N ALA A 112 8.563 6.163 4.243 1.00 0.00 N ATOM 1676 CA ALA A 112 7.959 7.008 3.221 1.00 0.00 C ATOM 1677 C ALA A 112 8.542 8.417 3.257 1.00 0.00 C ATOM 1678 O ALA A 112 8.775 9.030 2.215 1.00 0.00 O ATOM 1679 CB ALA A 112 6.448 7.056 3.400 1.00 0.00 C ATOM 0 H ALA A 112 7.897 5.601 4.773 1.00 0.00 H new ATOM 0 HA ALA A 112 8.185 6.574 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.010 7.691 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.039 6.049 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.211 7.463 4.383 1.00 0.00 H new ATOM 1685 N LEU A 113 8.776 8.924 4.462 1.00 0.00 N ATOM 1686 CA LEU A 113 9.332 10.262 4.634 1.00 0.00 C ATOM 1687 C LEU A 113 10.710 10.365 3.989 1.00 0.00 C ATOM 1688 O LEU A 113 10.970 11.273 3.199 1.00 0.00 O ATOM 1689 CB LEU A 113 9.425 10.609 6.121 1.00 0.00 C ATOM 1690 CG LEU A 113 8.143 11.134 6.769 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.309 11.235 8.277 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.763 12.485 6.181 1.00 0.00 C ATOM 0 H LEU A 113 8.590 8.429 5.334 1.00 0.00 H new ATOM 0 HA LEU A 113 8.667 10.972 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.743 9.718 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.207 11.357 6.251 1.00 0.00 H new ATOM 0 HG LEU A 113 7.338 10.429 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.387 11.610 8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.533 10.249 8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.127 11.918 8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.849 12.843 6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.567 13.199 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.600 12.382 5.108 1.00 0.00 H new ATOM 1704 N ASP A 114 11.589 9.430 4.331 1.00 0.00 N ATOM 1705 CA ASP A 114 12.941 9.414 3.782 1.00 0.00 C ATOM 1706 C ASP A 114 12.925 9.730 2.290 1.00 0.00 C ATOM 1707 O ASP A 114 13.738 10.518 1.803 1.00 0.00 O ATOM 1708 CB ASP A 114 13.594 8.052 4.021 1.00 0.00 C ATOM 1709 CG ASP A 114 14.816 7.835 3.149 1.00 0.00 C ATOM 1710 OD1 ASP A 114 14.653 7.731 1.916 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.935 7.770 3.701 1.00 0.00 O ATOM 0 H ASP A 114 11.390 8.673 4.985 1.00 0.00 H new ATOM 0 HA ASP A 114 13.523 10.182 4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.880 7.968 5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 114 12.867 7.264 3.825 1.00 0.00 H new ATOM 1716 N LEU A 115 11.998 9.111 1.569 1.00 0.00 N ATOM 1717 CA LEU A 115 11.877 9.325 0.131 1.00 0.00 C ATOM 1718 C LEU A 115 11.155 10.636 -0.165 1.00 0.00 C ATOM 1719 O LEU A 115 11.572 11.404 -1.033 1.00 0.00 O ATOM 1720 CB LEU A 115 11.128 8.160 -0.517 1.00 0.00 C ATOM 1721 CG LEU A 115 11.519 6.761 -0.038 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.443 5.751 -0.406 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.861 6.352 -0.627 1.00 0.00 C ATOM 0 H LEU A 115 11.318 8.456 1.956 1.00 0.00 H new ATOM 0 HA LEU A 115 12.881 9.381 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.061 8.297 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.282 8.210 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 115 11.612 6.782 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.738 4.761 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.501 6.035 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.317 5.732 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.124 5.354 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.795 6.348 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.627 7.061 -0.313 1.00 0.00 H new ATOM 1735 N PHE A 116 10.072 10.886 0.562 1.00 0.00 N ATOM 1736 CA PHE A 116 9.292 12.105 0.378 1.00 0.00 C ATOM 1737 C PHE A 116 10.205 13.322 0.263 1.00 0.00 C ATOM 1738 O PHE A 116 9.966 14.216 -0.549 1.00 0.00 O ATOM 1739 CB PHE A 116 8.318 12.293 1.543 1.00 0.00 C ATOM 1740 CG PHE A 116 7.730 13.673 1.616 1.00 0.00 C ATOM 1741 CD1 PHE A 116 6.874 14.129 0.626 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.032 14.514 2.675 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.333 15.399 0.690 1.00 0.00 C ATOM 1744 CE2 PHE A 116 7.493 15.785 2.744 1.00 0.00 C ATOM 1745 CZ PHE A 116 6.641 16.228 1.751 1.00 0.00 C ATOM 0 H PHE A 116 9.714 10.261 1.284 1.00 0.00 H new ATOM 0 HA PHE A 116 8.726 12.008 -0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.510 11.567 1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.836 12.078 2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.627 13.485 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.696 14.173 3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.669 15.743 -0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 116 7.738 16.431 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.217 17.220 1.804 1.00 0.00 H new ATOM 1755 N SER A 117 11.252 13.349 1.081 1.00 0.00 N ATOM 1756 CA SER A 117 12.199 14.458 1.075 1.00 0.00 C ATOM 1757 C SER A 117 13.044 14.443 -0.195 1.00 0.00 C ATOM 1758 O SER A 117 13.385 15.494 -0.740 1.00 0.00 O ATOM 1759 CB SER A 117 13.106 14.388 2.305 1.00 0.00 C ATOM 1760 OG SER A 117 13.940 13.244 2.260 1.00 0.00 O ATOM 0 H SER A 117 11.466 12.615 1.757 1.00 0.00 H new ATOM 0 HA SER A 117 11.632 15.388 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.720 15.287 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 117 12.497 14.362 3.209 1.00 0.00 H new ATOM 0 HG SER A 117 13.393 12.447 2.099 1.00 0.00 H new ATOM 1766 N ASP A 118 13.379 13.245 -0.662 1.00 0.00 N ATOM 1767 CA ASP A 118 14.183 13.092 -1.869 1.00 0.00 C ATOM 1768 C ASP A 118 13.480 13.712 -3.072 1.00 0.00 C ATOM 1769 O ASP A 118 14.049 14.548 -3.773 1.00 0.00 O ATOM 1770 CB ASP A 118 14.466 11.613 -2.134 1.00 0.00 C ATOM 1771 CG ASP A 118 15.354 10.994 -1.073 1.00 0.00 C ATOM 1772 OD1 ASP A 118 16.335 11.650 -0.664 1.00 0.00 O ATOM 1773 OD2 ASP A 118 15.069 9.853 -0.651 1.00 0.00 O ATOM 0 H ASP A 118 13.106 12.366 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 118 15.128 13.613 -1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.523 11.068 -2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.941 11.506 -3.109 1.00 0.00 H new ATOM 1778 N ASN A 119 12.240 13.295 -3.306 1.00 0.00 N ATOM 1779 CA ASN A 119 11.460 13.809 -4.427 1.00 0.00 C ATOM 1780 C ASN A 119 10.674 15.051 -4.018 1.00 0.00 C ATOM 1781 O ASN A 119 10.919 16.147 -4.522 1.00 0.00 O ATOM 1782 CB ASN A 119 10.502 12.733 -4.944 1.00 0.00 C ATOM 1783 CG ASN A 119 9.949 11.867 -3.828 1.00 0.00 C ATOM 1784 OD1 ASN A 119 8.864 12.126 -3.307 1.00 0.00 O ATOM 1785 ND2 ASN A 119 10.694 10.833 -3.457 1.00 0.00 N ATOM 0 H ASN A 119 11.754 12.603 -2.735 1.00 0.00 H new ATOM 0 HA ASN A 119 12.152 14.084 -5.223 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.677 13.209 -5.474 1.00 0.00 H new ATOM 0 HB3 ASN A 119 11.023 12.103 -5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 119 10.373 10.215 -2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.587 10.657 -3.917 1.00 0.00 H new ATOM 1792 N ALA A 120 9.728 14.872 -3.102 1.00 0.00 N ATOM 1793 CA ALA A 120 8.908 15.978 -2.624 1.00 0.00 C ATOM 1794 C ALA A 120 9.774 17.101 -2.063 1.00 0.00 C ATOM 1795 O ALA A 120 10.884 16.878 -1.578 1.00 0.00 O ATOM 1796 CB ALA A 120 7.926 15.489 -1.570 1.00 0.00 C ATOM 0 H ALA A 120 9.511 13.971 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 120 8.348 16.375 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.320 16.325 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.278 14.726 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 120 8.476 15.064 -0.730 1.00 0.00 H new ATOM 1802 N PRO A 121 9.258 18.337 -2.129 1.00 0.00 N ATOM 1803 CA PRO A 121 9.968 19.519 -1.632 1.00 0.00 C ATOM 1804 C PRO A 121 10.070 19.538 -0.111 1.00 0.00 C ATOM 1805 O PRO A 121 9.081 19.720 0.599 1.00 0.00 O ATOM 1806 CB PRO A 121 9.105 20.684 -2.125 1.00 0.00 C ATOM 1807 CG PRO A 121 7.741 20.106 -2.278 1.00 0.00 C ATOM 1808 CD PRO A 121 7.941 18.675 -2.694 1.00 0.00 C ATOM 0 HA PRO A 121 10.998 19.554 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 121 9.108 21.508 -1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.476 21.079 -3.071 1.00 0.00 H new ATOM 0 HG2 PRO A 121 7.185 20.166 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 121 7.167 20.653 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.157 18.029 -2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.929 18.566 -3.778 1.00 0.00 H new ATOM 1816 N PRO A 122 11.293 19.345 0.403 1.00 0.00 N ATOM 1817 CA PRO A 122 11.553 19.336 1.846 1.00 0.00 C ATOM 1818 C PRO A 122 11.401 20.719 2.471 1.00 0.00 C ATOM 1819 O PRO A 122 11.432 21.742 1.787 1.00 0.00 O ATOM 1820 CB PRO A 122 13.006 18.863 1.942 1.00 0.00 C ATOM 1821 CG PRO A 122 13.615 19.244 0.637 1.00 0.00 C ATOM 1822 CD PRO A 122 12.518 19.122 -0.384 1.00 0.00 C ATOM 0 HA PRO A 122 10.848 18.702 2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 122 13.523 19.340 2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 122 13.062 17.787 2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 122 14.005 20.261 0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 122 14.451 18.590 0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.625 19.860 -1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 122 12.518 18.141 -0.858 1.00 0.00 H new ATOM 1830 N PRO A 123 11.233 20.753 3.801 1.00 0.00 N ATOM 1831 CA PRO A 123 11.074 22.005 4.547 1.00 0.00 C ATOM 1832 C PRO A 123 12.361 22.821 4.591 1.00 0.00 C ATOM 1833 O PRO A 123 13.343 22.484 3.930 1.00 0.00 O ATOM 1834 CB PRO A 123 10.692 21.534 5.953 1.00 0.00 C ATOM 1835 CG PRO A 123 11.262 20.162 6.060 1.00 0.00 C ATOM 1836 CD PRO A 123 11.186 19.572 4.679 1.00 0.00 C ATOM 0 HA PRO A 123 10.336 22.662 4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 123 11.103 22.194 6.717 1.00 0.00 H new ATOM 0 HB3 PRO A 123 9.610 21.525 6.087 1.00 0.00 H new ATOM 0 HG2 PRO A 123 12.292 20.194 6.414 1.00 0.00 H new ATOM 0 HG3 PRO A 123 10.699 19.560 6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 123 12.017 18.894 4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 123 10.269 19.001 4.536 1.00 0.00 H new ATOM 1844 N GLU A 124 12.348 23.896 5.373 1.00 0.00 N ATOM 1845 CA GLU A 124 13.515 24.761 5.501 1.00 0.00 C ATOM 1846 C GLU A 124 14.669 24.022 6.174 1.00 0.00 C ATOM 1847 O GLU A 124 14.945 24.224 7.357 1.00 0.00 O ATOM 1848 CB GLU A 124 13.163 26.016 6.302 1.00 0.00 C ATOM 1849 CG GLU A 124 12.097 25.783 7.360 1.00 0.00 C ATOM 1850 CD GLU A 124 12.108 26.845 8.442 1.00 0.00 C ATOM 1851 OE1 GLU A 124 13.168 27.471 8.650 1.00 0.00 O ATOM 1852 OE2 GLU A 124 11.054 27.051 9.081 1.00 0.00 O ATOM 0 H GLU A 124 11.543 24.188 5.927 1.00 0.00 H new ATOM 0 HA GLU A 124 13.829 25.055 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 124 14.065 26.394 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.819 26.790 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.116 25.764 6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.250 24.804 7.815 1.00 0.00 H new ATOM 1859 N LEU A 125 15.338 23.163 5.412 1.00 0.00 N ATOM 1860 CA LEU A 125 16.461 22.392 5.933 1.00 0.00 C ATOM 1861 C LEU A 125 17.619 22.379 4.941 1.00 0.00 C ATOM 1862 O LEU A 125 17.420 22.531 3.735 1.00 0.00 O ATOM 1863 CB LEU A 125 16.023 20.960 6.242 1.00 0.00 C ATOM 1864 CG LEU A 125 15.458 20.718 7.642 1.00 0.00 C ATOM 1865 CD1 LEU A 125 15.231 19.232 7.877 1.00 0.00 C ATOM 1866 CD2 LEU A 125 16.391 21.290 8.699 1.00 0.00 C ATOM 0 H LEU A 125 15.122 22.983 4.431 1.00 0.00 H new ATOM 0 HA LEU A 125 16.800 22.868 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.269 20.667 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 125 16.879 20.301 6.098 1.00 0.00 H new ATOM 0 HG LEU A 125 14.498 21.228 7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.829 19.079 8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 125 14.524 18.851 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.177 18.700 7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.973 21.109 9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.366 20.809 8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.503 22.363 8.543 1.00 0.00 H new ATOM 1878 N LEU A 126 18.830 22.194 5.455 1.00 0.00 N ATOM 1879 CA LEU A 126 20.021 22.158 4.614 1.00 0.00 C ATOM 1880 C LEU A 126 19.716 21.516 3.264 1.00 0.00 C ATOM 1881 O LEU A 126 19.010 20.511 3.190 1.00 0.00 O ATOM 1882 CB LEU A 126 21.142 21.388 5.315 1.00 0.00 C ATOM 1883 CG LEU A 126 22.060 22.212 6.218 1.00 0.00 C ATOM 1884 CD1 LEU A 126 22.602 21.357 7.352 1.00 0.00 C ATOM 1885 CD2 LEU A 126 23.200 22.816 5.411 1.00 0.00 C ATOM 0 H LEU A 126 19.013 22.067 6.450 1.00 0.00 H new ATOM 0 HA LEU A 126 20.345 23.185 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 126 20.692 20.596 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 126 21.754 20.904 4.554 1.00 0.00 H new ATOM 0 HG LEU A 126 21.477 23.025 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 126 23.253 21.961 7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 126 21.773 20.974 7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 126 23.169 20.522 6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 126 23.843 23.399 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 126 23.782 22.018 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 126 22.793 23.464 4.635 1.00 0.00 H new ATOM 1897 N GLU A 127 20.254 22.104 2.200 1.00 0.00 N ATOM 1898 CA GLU A 127 20.039 21.588 0.853 1.00 0.00 C ATOM 1899 C GLU A 127 20.103 20.064 0.838 1.00 0.00 C ATOM 1900 O GLU A 127 21.124 19.471 1.185 1.00 0.00 O ATOM 1901 CB GLU A 127 21.081 22.163 -0.109 1.00 0.00 C ATOM 1902 CG GLU A 127 20.697 23.516 -0.684 1.00 0.00 C ATOM 1903 CD GLU A 127 21.866 24.222 -1.344 1.00 0.00 C ATOM 1904 OE1 GLU A 127 22.276 23.790 -2.442 1.00 0.00 O ATOM 1905 OE2 GLU A 127 22.370 25.205 -0.763 1.00 0.00 O ATOM 0 H GLU A 127 20.841 22.937 2.244 1.00 0.00 H new ATOM 0 HA GLU A 127 19.045 21.896 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 127 22.033 22.257 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 127 21.234 21.460 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 127 19.898 23.383 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 127 20.300 24.146 0.112 1.00 0.00 H new ATOM 1912 N SER A 128 19.004 19.435 0.433 1.00 0.00 N ATOM 1913 CA SER A 128 18.932 17.980 0.377 1.00 0.00 C ATOM 1914 C SER A 128 19.604 17.452 -0.888 1.00 0.00 C ATOM 1915 O SER A 128 19.584 18.102 -1.932 1.00 0.00 O ATOM 1916 CB SER A 128 17.474 17.518 0.424 1.00 0.00 C ATOM 1917 OG SER A 128 16.987 17.506 1.755 1.00 0.00 O ATOM 0 H SER A 128 18.151 19.911 0.139 1.00 0.00 H new ATOM 0 HA SER A 128 19.460 17.581 1.243 1.00 0.00 H new ATOM 0 HB2 SER A 128 16.859 18.180 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 128 17.391 16.520 -0.006 1.00 0.00 H new ATOM 0 HG SER A 128 16.053 17.209 1.759 1.00 0.00 H new ATOM 1923 N GLY A 129 20.198 16.267 -0.784 1.00 0.00 N ATOM 1924 CA GLY A 129 20.867 15.670 -1.925 1.00 0.00 C ATOM 1925 C GLY A 129 19.995 14.664 -2.648 1.00 0.00 C ATOM 1926 O GLY A 129 19.804 13.536 -2.195 1.00 0.00 O ATOM 0 H GLY A 129 20.228 15.710 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 129 21.163 16.455 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 129 21.781 15.179 -1.590 1.00 0.00 H new ATOM 1930 N PRO A 130 19.446 15.073 -3.802 1.00 0.00 N ATOM 1931 CA PRO A 130 18.578 14.214 -4.614 1.00 0.00 C ATOM 1932 C PRO A 130 19.344 13.071 -5.270 1.00 0.00 C ATOM 1933 O PRO A 130 20.527 12.866 -4.996 1.00 0.00 O ATOM 1934 CB PRO A 130 18.028 15.169 -5.676 1.00 0.00 C ATOM 1935 CG PRO A 130 19.050 16.248 -5.781 1.00 0.00 C ATOM 1936 CD PRO A 130 19.630 16.405 -4.403 1.00 0.00 C ATOM 0 HA PRO A 130 17.806 13.731 -4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 130 17.889 14.662 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 130 17.058 15.570 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 130 19.824 15.984 -6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 130 18.600 17.180 -6.123 1.00 0.00 H new ATOM 0 HD2 PRO A 130 20.682 16.688 -4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.112 17.177 -3.835 1.00 0.00 H new ATOM 1944 N SER A 131 18.663 12.329 -6.138 1.00 0.00 N ATOM 1945 CA SER A 131 19.280 11.204 -6.831 1.00 0.00 C ATOM 1946 C SER A 131 18.637 10.991 -8.198 1.00 0.00 C ATOM 1947 O SER A 131 17.441 11.220 -8.377 1.00 0.00 O ATOM 1948 CB SER A 131 19.155 9.931 -5.992 1.00 0.00 C ATOM 1949 OG SER A 131 17.800 9.653 -5.685 1.00 0.00 O ATOM 0 H SER A 131 17.684 12.487 -6.378 1.00 0.00 H new ATOM 0 HA SER A 131 20.336 11.432 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 131 19.588 9.090 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 131 19.725 10.043 -5.069 1.00 0.00 H new ATOM 0 HG SER A 131 17.747 8.834 -5.150 1.00 0.00 H new ATOM 1955 N SER A 132 19.442 10.550 -9.161 1.00 0.00 N ATOM 1956 CA SER A 132 18.954 10.309 -10.514 1.00 0.00 C ATOM 1957 C SER A 132 19.144 8.847 -10.907 1.00 0.00 C ATOM 1958 O SER A 132 20.245 8.426 -11.260 1.00 0.00 O ATOM 1959 CB SER A 132 19.680 11.216 -11.509 1.00 0.00 C ATOM 1960 OG SER A 132 19.638 12.569 -11.091 1.00 0.00 O ATOM 0 H SER A 132 20.434 10.353 -9.029 1.00 0.00 H new ATOM 0 HA SER A 132 17.888 10.537 -10.536 1.00 0.00 H new ATOM 0 HB2 SER A 132 20.717 10.895 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 132 19.221 11.122 -12.493 1.00 0.00 H new ATOM 0 HG SER A 132 20.110 13.128 -11.743 1.00 0.00 H new ATOM 1966 N GLY A 133 18.062 8.078 -10.843 1.00 0.00 N ATOM 1967 CA GLY A 133 18.130 6.671 -11.195 1.00 0.00 C ATOM 1968 C GLY A 133 18.357 6.455 -12.678 1.00 0.00 C ATOM 1969 O GLY A 133 18.734 5.363 -13.102 1.00 0.00 O ATOM 0 H GLY A 133 17.140 8.403 -10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 133 18.936 6.198 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.204 6.180 -10.897 1.00 0.00 H new TER 1973 GLY A 133