USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=29 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 104 THR OG1 : rot 111:sc= 0.661 USER MOD Set 1.2: A 106 SER OG : rot 84:sc= 1.21 USER MOD Set 2.1: A 37 CYS SG : rot -131:sc= 1.15 USER MOD Set 2.2: A 40 CYS SG : rot 150:sc= 0.549 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.222 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 19 LYS NZ :NH3+ -139:sc= -1.14! (180deg=-0.353) USER MOD Set 3.4: A 20 ASN : amide:sc= -3.51! K(o=-4.4!,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.588 USER MOD Single : A 3 SER OG : rot 43:sc= 1.06 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 24 SER OG : rot 150:sc= 0.0318 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -94:sc= 0.095 USER MOD Single : A 39 HIS : no HD1:sc= -0.0595 X(o=-0.06,f=-0.06) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.223 K(o=-0.22,f=-0.84) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.656 K(o=-0.66,f=-0.14) USER MOD Single : A 58 THR OG1 : rot -90:sc= 1.33 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 0.253 (180deg=0.251) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= -0.0967 (180deg=-0.459) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.15 K(o=-1.1,f=-5.5!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc=-0.00647 USER MOD Single : A 86 THR OG1 : rot -58:sc= 1.12 USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.28) USER MOD Single : A 91 GLN : amide:sc= -5.99! C(o=-6!,f=-15!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 133:sc= -0.0145 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.722 K(o=-0.72,f=-0.0062) 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 -16.332 14.012 4.330 1.00 0.00 N ATOM 2 CA GLY A 1 -16.820 12.687 3.997 1.00 0.00 C ATOM 3 C GLY A 1 -15.721 11.643 4.017 1.00 0.00 C ATOM 4 O GLY A 1 -14.796 11.690 3.206 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.121 14.689 4.303 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.919 14.000 5.284 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.606 14.298 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.600 12.402 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.278 12.710 3.008 1.00 0.00 H new ATOM 8 N SER A 2 -15.820 10.699 4.947 1.00 0.00 N ATOM 9 CA SER A 2 -14.823 9.642 5.073 1.00 0.00 C ATOM 10 C SER A 2 -14.889 8.689 3.883 1.00 0.00 C ATOM 11 O SER A 2 -15.881 7.987 3.690 1.00 0.00 O ATOM 12 CB SER A 2 -15.034 8.865 6.374 1.00 0.00 C ATOM 13 OG SER A 2 -16.284 8.197 6.373 1.00 0.00 O ATOM 0 H SER A 2 -16.580 10.644 5.625 1.00 0.00 H new ATOM 0 HA SER A 2 -13.837 10.107 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.231 8.139 6.502 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.984 9.549 7.222 1.00 0.00 H new ATOM 0 HG SER A 2 -16.528 7.960 5.454 1.00 0.00 H new ATOM 19 N SER A 3 -13.823 8.671 3.089 1.00 0.00 N ATOM 20 CA SER A 3 -13.760 7.808 1.915 1.00 0.00 C ATOM 21 C SER A 3 -12.925 6.563 2.200 1.00 0.00 C ATOM 22 O SER A 3 -11.754 6.490 1.831 1.00 0.00 O ATOM 23 CB SER A 3 -13.170 8.570 0.727 1.00 0.00 C ATOM 24 OG SER A 3 -11.826 8.944 0.977 1.00 0.00 O ATOM 0 H SER A 3 -12.992 9.244 3.237 1.00 0.00 H new ATOM 0 HA SER A 3 -14.775 7.495 1.670 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.217 7.949 -0.167 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.767 9.460 0.529 1.00 0.00 H new ATOM 0 HG SER A 3 -11.352 8.198 1.401 1.00 0.00 H new ATOM 30 N GLY A 4 -13.538 5.586 2.861 1.00 0.00 N ATOM 31 CA GLY A 4 -12.838 4.357 3.185 1.00 0.00 C ATOM 32 C GLY A 4 -13.053 3.929 4.624 1.00 0.00 C ATOM 33 O GLY A 4 -12.864 4.720 5.548 1.00 0.00 O ATOM 0 H GLY A 4 -14.507 5.624 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.176 3.563 2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.771 4.492 3.005 1.00 0.00 H new ATOM 37 N SER A 5 -13.451 2.675 4.814 1.00 0.00 N ATOM 38 CA SER A 5 -13.697 2.146 6.150 1.00 0.00 C ATOM 39 C SER A 5 -12.389 1.973 6.916 1.00 0.00 C ATOM 40 O SER A 5 -12.203 2.550 7.987 1.00 0.00 O ATOM 41 CB SER A 5 -14.432 0.806 6.063 1.00 0.00 C ATOM 42 OG SER A 5 -15.831 0.998 5.949 1.00 0.00 O ATOM 0 H SER A 5 -13.610 2.007 4.060 1.00 0.00 H new ATOM 0 HA SER A 5 -14.320 2.860 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.068 0.243 5.204 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.215 0.210 6.950 1.00 0.00 H new ATOM 0 HG SER A 5 -16.277 0.127 5.893 1.00 0.00 H new ATOM 48 N SER A 6 -11.485 1.174 6.358 1.00 0.00 N ATOM 49 CA SER A 6 -10.195 0.921 6.989 1.00 0.00 C ATOM 50 C SER A 6 -9.401 2.214 7.138 1.00 0.00 C ATOM 51 O SER A 6 -8.893 2.523 8.215 1.00 0.00 O ATOM 52 CB SER A 6 -9.393 -0.092 6.170 1.00 0.00 C ATOM 53 OG SER A 6 -10.182 -1.224 5.844 1.00 0.00 O ATOM 0 H SER A 6 -11.622 0.691 5.470 1.00 0.00 H new ATOM 0 HA SER A 6 -10.378 0.511 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.032 0.379 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.515 -0.407 6.734 1.00 0.00 H new ATOM 0 HG SER A 6 -9.647 -1.855 5.319 1.00 0.00 H new ATOM 59 N GLY A 7 -9.298 2.968 6.048 1.00 0.00 N ATOM 60 CA GLY A 7 -8.563 4.219 6.077 1.00 0.00 C ATOM 61 C GLY A 7 -8.435 4.849 4.704 1.00 0.00 C ATOM 62 O GLY A 7 -9.376 4.820 3.911 1.00 0.00 O ATOM 0 H GLY A 7 -9.711 2.735 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.065 4.916 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.568 4.043 6.487 1.00 0.00 H new ATOM 66 N ASP A 8 -7.270 5.421 4.424 1.00 0.00 N ATOM 67 CA ASP A 8 -7.022 6.061 3.137 1.00 0.00 C ATOM 68 C ASP A 8 -6.394 5.079 2.153 1.00 0.00 C ATOM 69 O ASP A 8 -5.831 5.479 1.134 1.00 0.00 O ATOM 70 CB ASP A 8 -6.110 7.276 3.315 1.00 0.00 C ATOM 71 CG ASP A 8 -5.764 7.938 1.996 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.686 8.454 1.330 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.570 7.941 1.630 1.00 0.00 O ATOM 0 H ASP A 8 -6.482 5.455 5.071 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.979 6.390 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.599 8.002 3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.192 6.967 3.815 1.00 0.00 H new ATOM 78 N VAL A 9 -6.495 3.790 2.465 1.00 0.00 N ATOM 79 CA VAL A 9 -5.938 2.750 1.608 1.00 0.00 C ATOM 80 C VAL A 9 -6.586 2.769 0.229 1.00 0.00 C ATOM 81 O VAL A 9 -7.807 2.869 0.107 1.00 0.00 O ATOM 82 CB VAL A 9 -6.120 1.353 2.231 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.437 0.295 1.377 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.584 1.330 3.654 1.00 0.00 C ATOM 0 H VAL A 9 -6.957 3.442 3.305 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.873 2.959 1.508 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.185 1.125 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.576 -0.686 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.873 0.296 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.372 0.515 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.721 0.335 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.523 1.579 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.124 2.060 4.258 1.00 0.00 H new ATOM 94 N ILE A 10 -5.760 2.671 -0.808 1.00 0.00 N ATOM 95 CA ILE A 10 -6.254 2.675 -2.180 1.00 0.00 C ATOM 96 C ILE A 10 -6.257 1.268 -2.766 1.00 0.00 C ATOM 97 O ILE A 10 -5.343 0.481 -2.522 1.00 0.00 O ATOM 98 CB ILE A 10 -5.405 3.592 -3.080 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.390 5.017 -2.523 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.942 3.580 -4.504 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.276 5.873 -3.085 1.00 0.00 C ATOM 0 H ILE A 10 -4.747 2.588 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.275 3.055 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.382 3.217 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.347 5.493 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.292 4.974 -1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.332 4.233 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.907 2.564 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.973 3.935 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.326 6.870 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.314 5.420 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.385 5.947 -4.167 1.00 0.00 H new ATOM 113 N GLU A 11 -7.292 0.958 -3.542 1.00 0.00 N ATOM 114 CA GLU A 11 -7.413 -0.354 -4.165 1.00 0.00 C ATOM 115 C GLU A 11 -6.946 -0.314 -5.617 1.00 0.00 C ATOM 116 O GLU A 11 -7.475 0.445 -6.430 1.00 0.00 O ATOM 117 CB GLU A 11 -8.862 -0.843 -4.098 1.00 0.00 C ATOM 118 CG GLU A 11 -9.020 -2.323 -4.406 1.00 0.00 C ATOM 119 CD GLU A 11 -10.468 -2.770 -4.393 1.00 0.00 C ATOM 120 OE1 GLU A 11 -11.296 -2.116 -5.062 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.775 -3.772 -3.714 1.00 0.00 O ATOM 0 H GLU A 11 -8.058 1.598 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.776 -1.048 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.258 -0.643 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.464 -0.268 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.587 -2.535 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.458 -2.904 -3.675 1.00 0.00 H new ATOM 128 N LEU A 12 -5.950 -1.134 -5.935 1.00 0.00 N ATOM 129 CA LEU A 12 -5.409 -1.192 -7.289 1.00 0.00 C ATOM 130 C LEU A 12 -5.597 -2.581 -7.890 1.00 0.00 C ATOM 131 O LEU A 12 -5.985 -3.523 -7.198 1.00 0.00 O ATOM 132 CB LEU A 12 -3.925 -0.823 -7.282 1.00 0.00 C ATOM 133 CG LEU A 12 -3.579 0.558 -6.722 1.00 0.00 C ATOM 134 CD1 LEU A 12 -2.077 0.696 -6.534 1.00 0.00 C ATOM 135 CD2 LEU A 12 -4.108 1.652 -7.638 1.00 0.00 C ATOM 0 H LEU A 12 -5.501 -1.768 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.952 -0.474 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.387 -1.573 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.552 -0.882 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.057 0.665 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.850 1.685 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.726 -0.066 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.577 0.568 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.853 2.628 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.659 1.548 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.191 1.565 -7.721 1.00 0.00 H new ATOM 147 N THR A 13 -5.316 -2.703 -9.184 1.00 0.00 N ATOM 148 CA THR A 13 -5.452 -3.976 -9.879 1.00 0.00 C ATOM 149 C THR A 13 -4.182 -4.322 -10.648 1.00 0.00 C ATOM 150 O THR A 13 -3.192 -3.593 -10.589 1.00 0.00 O ATOM 151 CB THR A 13 -6.642 -3.958 -10.857 1.00 0.00 C ATOM 152 OG1 THR A 13 -6.362 -3.081 -11.954 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.914 -3.508 -10.154 1.00 0.00 C ATOM 0 H THR A 13 -4.993 -1.934 -9.772 1.00 0.00 H new ATOM 0 HA THR A 13 -5.629 -4.734 -9.116 1.00 0.00 H new ATOM 0 HB THR A 13 -6.791 -4.971 -11.231 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.123 -3.077 -12.572 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.740 -3.503 -10.865 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.141 -4.194 -9.338 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.773 -2.504 -9.755 1.00 0.00 H new ATOM 161 N ASP A 14 -4.218 -5.437 -11.370 1.00 0.00 N ATOM 162 CA ASP A 14 -3.070 -5.878 -12.153 1.00 0.00 C ATOM 163 C ASP A 14 -2.769 -4.893 -13.278 1.00 0.00 C ATOM 164 O ASP A 14 -1.636 -4.805 -13.753 1.00 0.00 O ATOM 165 CB ASP A 14 -3.324 -7.271 -12.731 1.00 0.00 C ATOM 166 CG ASP A 14 -4.793 -7.520 -13.015 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.381 -6.756 -13.808 1.00 0.00 O ATOM 168 OD2 ASP A 14 -5.353 -8.479 -12.443 1.00 0.00 O ATOM 0 H ASP A 14 -5.030 -6.052 -11.429 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.205 -5.921 -11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.754 -7.389 -13.652 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.959 -8.024 -12.032 1.00 0.00 H new ATOM 173 N ASP A 15 -3.789 -4.155 -13.700 1.00 0.00 N ATOM 174 CA ASP A 15 -3.635 -3.177 -14.770 1.00 0.00 C ATOM 175 C ASP A 15 -3.624 -1.757 -14.211 1.00 0.00 C ATOM 176 O ASP A 15 -2.750 -0.956 -14.541 1.00 0.00 O ATOM 177 CB ASP A 15 -4.761 -3.326 -15.794 1.00 0.00 C ATOM 178 CG ASP A 15 -4.410 -2.711 -17.135 1.00 0.00 C ATOM 179 OD1 ASP A 15 -4.206 -1.480 -17.187 1.00 0.00 O ATOM 180 OD2 ASP A 15 -4.340 -3.460 -18.132 1.00 0.00 O ATOM 0 H ASP A 15 -4.732 -4.215 -13.317 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.680 -3.362 -15.263 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.986 -4.384 -15.931 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.665 -2.855 -15.407 1.00 0.00 H new ATOM 185 N SER A 16 -4.602 -1.453 -13.364 1.00 0.00 N ATOM 186 CA SER A 16 -4.708 -0.129 -12.763 1.00 0.00 C ATOM 187 C SER A 16 -3.491 0.172 -11.893 1.00 0.00 C ATOM 188 O SER A 16 -3.157 1.332 -11.653 1.00 0.00 O ATOM 189 CB SER A 16 -5.985 -0.026 -11.926 1.00 0.00 C ATOM 190 OG SER A 16 -7.127 0.112 -12.754 1.00 0.00 O ATOM 0 H SER A 16 -5.332 -2.106 -13.079 1.00 0.00 H new ATOM 0 HA SER A 16 -4.749 0.605 -13.567 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.088 -0.915 -11.304 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.915 0.828 -11.253 1.00 0.00 H new ATOM 0 HG SER A 16 -7.930 0.174 -12.196 1.00 0.00 H new ATOM 196 N PHE A 17 -2.833 -0.882 -11.423 1.00 0.00 N ATOM 197 CA PHE A 17 -1.653 -0.733 -10.579 1.00 0.00 C ATOM 198 C PHE A 17 -0.586 0.104 -11.279 1.00 0.00 C ATOM 199 O PHE A 17 0.199 0.796 -10.631 1.00 0.00 O ATOM 200 CB PHE A 17 -1.083 -2.105 -10.215 1.00 0.00 C ATOM 201 CG PHE A 17 0.348 -2.059 -9.762 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.357 -1.714 -10.647 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.685 -2.360 -8.453 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.675 -1.672 -10.234 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.002 -2.319 -8.034 1.00 0.00 C ATOM 206 CZ PHE A 17 2.998 -1.974 -8.925 1.00 0.00 C ATOM 0 H PHE A 17 -3.097 -1.849 -11.612 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.953 -0.218 -9.666 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.692 -2.544 -9.425 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.161 -2.763 -11.080 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.110 -1.475 -11.671 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.090 -2.630 -7.751 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.452 -1.403 -10.934 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.251 -2.557 -7.010 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.027 -1.940 -8.600 1.00 0.00 H new ATOM 216 N ASP A 18 -0.563 0.034 -12.605 1.00 0.00 N ATOM 217 CA ASP A 18 0.406 0.784 -13.394 1.00 0.00 C ATOM 218 C ASP A 18 -0.170 2.128 -13.828 1.00 0.00 C ATOM 219 O ASP A 18 0.508 3.155 -13.771 1.00 0.00 O ATOM 220 CB ASP A 18 0.831 -0.023 -14.622 1.00 0.00 C ATOM 221 CG ASP A 18 -0.269 -0.938 -15.122 1.00 0.00 C ATOM 222 OD1 ASP A 18 -0.541 -1.957 -14.454 1.00 0.00 O ATOM 223 OD2 ASP A 18 -0.857 -0.635 -16.182 1.00 0.00 O ATOM 0 H ASP A 18 -1.205 -0.535 -13.156 1.00 0.00 H new ATOM 0 HA ASP A 18 1.280 0.968 -12.770 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.122 0.661 -15.420 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.711 -0.618 -14.376 1.00 0.00 H new ATOM 228 N LYS A 19 -1.425 2.115 -14.263 1.00 0.00 N ATOM 229 CA LYS A 19 -2.095 3.332 -14.707 1.00 0.00 C ATOM 230 C LYS A 19 -2.242 4.323 -13.557 1.00 0.00 C ATOM 231 O LYS A 19 -2.566 5.491 -13.769 1.00 0.00 O ATOM 232 CB LYS A 19 -3.471 2.999 -15.287 1.00 0.00 C ATOM 233 CG LYS A 19 -4.592 3.056 -14.263 1.00 0.00 C ATOM 234 CD LYS A 19 -5.221 4.438 -14.201 1.00 0.00 C ATOM 235 CE LYS A 19 -6.694 4.364 -13.830 1.00 0.00 C ATOM 236 NZ LYS A 19 -6.940 3.393 -12.728 1.00 0.00 N ATOM 0 H LYS A 19 -2.000 1.274 -14.318 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.482 3.791 -15.483 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.693 3.695 -16.096 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.440 2.001 -15.724 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.355 2.319 -14.516 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.203 2.788 -13.281 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.691 5.048 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.112 4.932 -15.167 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.043 5.352 -13.528 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.275 4.075 -14.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.806 2.853 -12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.134 2.740 -12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.053 3.907 -11.831 1.00 0.00 H new ATOM 250 N ASN A 20 -2.000 3.849 -12.339 1.00 0.00 N ATOM 251 CA ASN A 20 -2.104 4.694 -11.155 1.00 0.00 C ATOM 252 C ASN A 20 -0.722 5.107 -10.658 1.00 0.00 C ATOM 253 O ASN A 20 -0.503 6.260 -10.287 1.00 0.00 O ATOM 254 CB ASN A 20 -2.861 3.962 -10.045 1.00 0.00 C ATOM 255 CG ASN A 20 -4.353 3.895 -10.309 1.00 0.00 C ATOM 256 OD1 ASN A 20 -5.026 4.923 -10.392 1.00 0.00 O ATOM 257 ND2 ASN A 20 -4.876 2.682 -10.441 1.00 0.00 N ATOM 0 H ASN A 20 -1.731 2.884 -12.146 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.655 5.594 -11.429 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.467 2.951 -9.946 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.685 4.467 -9.095 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.875 2.574 -10.619 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.279 1.858 -10.364 1.00 0.00 H new ATOM 264 N VAL A 21 0.207 4.157 -10.653 1.00 0.00 N ATOM 265 CA VAL A 21 1.568 4.421 -10.203 1.00 0.00 C ATOM 266 C VAL A 21 2.424 4.976 -11.336 1.00 0.00 C ATOM 267 O VAL A 21 2.880 6.119 -11.282 1.00 0.00 O ATOM 268 CB VAL A 21 2.234 3.147 -9.648 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.708 3.394 -9.367 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.515 2.674 -8.394 1.00 0.00 C ATOM 0 H VAL A 21 0.042 3.197 -10.956 1.00 0.00 H new ATOM 0 HA VAL A 21 1.499 5.162 -9.407 1.00 0.00 H new ATOM 0 HB VAL A 21 2.159 2.361 -10.400 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.161 2.483 -8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.211 3.682 -10.290 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.810 4.194 -8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.998 1.773 -8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.556 3.455 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.474 2.454 -8.632 1.00 0.00 H new ATOM 280 N LEU A 22 2.638 4.160 -12.362 1.00 0.00 N ATOM 281 CA LEU A 22 3.440 4.569 -13.511 1.00 0.00 C ATOM 282 C LEU A 22 2.916 5.873 -14.103 1.00 0.00 C ATOM 283 O LEU A 22 3.689 6.774 -14.427 1.00 0.00 O ATOM 284 CB LEU A 22 3.435 3.472 -14.577 1.00 0.00 C ATOM 285 CG LEU A 22 3.799 2.067 -14.097 1.00 0.00 C ATOM 286 CD1 LEU A 22 3.709 1.071 -15.243 1.00 0.00 C ATOM 287 CD2 LEU A 22 5.194 2.057 -13.488 1.00 0.00 C ATOM 0 H LEU A 22 2.268 3.211 -12.422 1.00 0.00 H new ATOM 0 HA LEU A 22 4.463 4.731 -13.171 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.443 3.435 -15.026 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.132 3.757 -15.366 1.00 0.00 H new ATOM 0 HG LEU A 22 3.086 1.770 -13.328 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.972 0.077 -14.882 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.692 1.058 -15.635 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.399 1.364 -16.034 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.437 1.049 -13.152 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.920 2.375 -14.236 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.225 2.740 -12.639 1.00 0.00 H new ATOM 299 N ASP A 23 1.598 5.967 -14.241 1.00 0.00 N ATOM 300 CA ASP A 23 0.970 7.162 -14.791 1.00 0.00 C ATOM 301 C ASP A 23 0.974 8.297 -13.772 1.00 0.00 C ATOM 302 O ASP A 23 0.410 9.364 -14.013 1.00 0.00 O ATOM 303 CB ASP A 23 -0.464 6.856 -15.226 1.00 0.00 C ATOM 304 CG ASP A 23 -0.911 7.715 -16.393 1.00 0.00 C ATOM 305 OD1 ASP A 23 -1.071 8.938 -16.202 1.00 0.00 O ATOM 306 OD2 ASP A 23 -1.101 7.163 -17.498 1.00 0.00 O ATOM 0 H ASP A 23 0.944 5.229 -13.979 1.00 0.00 H new ATOM 0 HA ASP A 23 1.546 7.477 -15.661 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.540 5.804 -15.503 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.138 7.014 -14.384 1.00 0.00 H new ATOM 311 N SER A 24 1.614 8.058 -12.631 1.00 0.00 N ATOM 312 CA SER A 24 1.688 9.059 -11.573 1.00 0.00 C ATOM 313 C SER A 24 3.130 9.264 -11.119 1.00 0.00 C ATOM 314 O SER A 24 3.753 8.358 -10.568 1.00 0.00 O ATOM 315 CB SER A 24 0.822 8.638 -10.383 1.00 0.00 C ATOM 316 OG SER A 24 0.789 9.651 -9.393 1.00 0.00 O ATOM 0 H SER A 24 2.088 7.181 -12.416 1.00 0.00 H new ATOM 0 HA SER A 24 1.313 10.002 -11.971 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.191 8.425 -10.724 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.214 7.717 -9.952 1.00 0.00 H new ATOM 0 HG SER A 24 -0.067 9.616 -8.918 1.00 0.00 H new ATOM 322 N GLU A 25 3.653 10.463 -11.356 1.00 0.00 N ATOM 323 CA GLU A 25 5.022 10.788 -10.973 1.00 0.00 C ATOM 324 C GLU A 25 5.208 10.664 -9.464 1.00 0.00 C ATOM 325 O GLU A 25 6.334 10.630 -8.967 1.00 0.00 O ATOM 326 CB GLU A 25 5.379 12.205 -11.427 1.00 0.00 C ATOM 327 CG GLU A 25 5.449 12.361 -12.937 1.00 0.00 C ATOM 328 CD GLU A 25 6.073 13.677 -13.359 1.00 0.00 C ATOM 329 OE1 GLU A 25 5.627 14.732 -12.861 1.00 0.00 O ATOM 330 OE2 GLU A 25 7.006 13.652 -14.188 1.00 0.00 O ATOM 0 H GLU A 25 3.150 11.225 -11.811 1.00 0.00 H new ATOM 0 HA GLU A 25 5.688 10.078 -11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.639 12.901 -11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.341 12.484 -10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.027 11.538 -13.357 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.444 12.290 -13.353 1.00 0.00 H new ATOM 337 N ASP A 26 4.096 10.596 -8.740 1.00 0.00 N ATOM 338 CA ASP A 26 4.136 10.474 -7.287 1.00 0.00 C ATOM 339 C ASP A 26 4.500 9.052 -6.870 1.00 0.00 C ATOM 340 O ASP A 26 4.257 8.097 -7.608 1.00 0.00 O ATOM 341 CB ASP A 26 2.786 10.866 -6.684 1.00 0.00 C ATOM 342 CG ASP A 26 2.306 12.219 -7.171 1.00 0.00 C ATOM 343 OD1 ASP A 26 3.146 13.133 -7.311 1.00 0.00 O ATOM 344 OD2 ASP A 26 1.090 12.365 -7.412 1.00 0.00 O ATOM 0 H ASP A 26 3.156 10.623 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 26 4.904 11.151 -6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.045 10.108 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.868 10.882 -5.597 1.00 0.00 H new ATOM 349 N VAL A 27 5.084 8.920 -5.684 1.00 0.00 N ATOM 350 CA VAL A 27 5.482 7.615 -5.169 1.00 0.00 C ATOM 351 C VAL A 27 4.268 6.808 -4.722 1.00 0.00 C ATOM 352 O VAL A 27 3.373 7.331 -4.058 1.00 0.00 O ATOM 353 CB VAL A 27 6.457 7.753 -3.985 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.913 6.383 -3.506 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.649 8.614 -4.375 1.00 0.00 C ATOM 0 H VAL A 27 5.292 9.701 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 27 5.983 7.092 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 27 5.936 8.244 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.601 6.501 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.048 5.803 -3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.417 5.862 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.328 8.701 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.172 8.153 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.302 9.606 -4.665 1.00 0.00 H new ATOM 365 N TRP A 28 4.245 5.532 -5.090 1.00 0.00 N ATOM 366 CA TRP A 28 3.141 4.652 -4.726 1.00 0.00 C ATOM 367 C TRP A 28 3.644 3.438 -3.952 1.00 0.00 C ATOM 368 O TRP A 28 4.376 2.608 -4.490 1.00 0.00 O ATOM 369 CB TRP A 28 2.390 4.198 -5.979 1.00 0.00 C ATOM 370 CG TRP A 28 1.392 5.202 -6.470 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.646 6.299 -7.243 1.00 0.00 C ATOM 372 CD2 TRP A 28 -0.018 5.203 -6.220 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.479 6.982 -7.488 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.556 6.329 -6.873 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.878 4.361 -5.511 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.914 6.633 -6.835 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.226 4.664 -5.473 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.733 5.791 -6.132 1.00 0.00 C ATOM 0 H TRP A 28 4.978 5.084 -5.640 1.00 0.00 H new ATOM 0 HA TRP A 28 2.460 5.211 -4.085 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.110 3.995 -6.772 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.877 3.260 -5.766 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.621 6.587 -7.608 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.397 7.837 -8.039 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.496 3.489 -5.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.307 7.502 -7.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.900 4.021 -4.926 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.792 6.000 -6.085 1.00 0.00 H new ATOM 389 N MET A 29 3.247 3.342 -2.688 1.00 0.00 N ATOM 390 CA MET A 29 3.657 2.228 -1.841 1.00 0.00 C ATOM 391 C MET A 29 2.662 1.076 -1.938 1.00 0.00 C ATOM 392 O MET A 29 1.558 1.149 -1.399 1.00 0.00 O ATOM 393 CB MET A 29 3.786 2.685 -0.387 1.00 0.00 C ATOM 394 CG MET A 29 5.175 3.189 -0.028 1.00 0.00 C ATOM 395 SD MET A 29 5.334 3.603 1.719 1.00 0.00 S ATOM 396 CE MET A 29 6.503 2.357 2.257 1.00 0.00 C ATOM 0 H MET A 29 2.642 4.022 -2.227 1.00 0.00 H new ATOM 0 HA MET A 29 4.628 1.877 -2.191 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.061 3.477 -0.198 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.529 1.854 0.270 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.911 2.427 -0.285 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.404 4.070 -0.628 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.704 2.482 3.321 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.085 1.366 2.080 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.432 2.464 1.697 1.00 0.00 H new ATOM 406 N VAL A 30 3.061 0.012 -2.628 1.00 0.00 N ATOM 407 CA VAL A 30 2.204 -1.156 -2.795 1.00 0.00 C ATOM 408 C VAL A 30 2.435 -2.171 -1.680 1.00 0.00 C ATOM 409 O VAL A 30 3.575 -2.514 -1.367 1.00 0.00 O ATOM 410 CB VAL A 30 2.445 -1.839 -4.154 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.623 -3.114 -4.264 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.121 -0.886 -5.294 1.00 0.00 C ATOM 0 H VAL A 30 3.972 -0.065 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 30 1.174 -0.802 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 30 3.499 -2.108 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.806 -3.583 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.909 -3.801 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.564 -2.873 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.297 -1.385 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.076 -0.584 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.758 -0.004 -5.223 1.00 0.00 H new ATOM 422 N GLU A 31 1.346 -2.647 -1.086 1.00 0.00 N ATOM 423 CA GLU A 31 1.431 -3.622 -0.005 1.00 0.00 C ATOM 424 C GLU A 31 0.539 -4.827 -0.289 1.00 0.00 C ATOM 425 O GLU A 31 -0.683 -4.756 -0.149 1.00 0.00 O ATOM 426 CB GLU A 31 1.031 -2.980 1.325 1.00 0.00 C ATOM 427 CG GLU A 31 0.636 -3.986 2.392 1.00 0.00 C ATOM 428 CD GLU A 31 1.746 -4.970 2.706 1.00 0.00 C ATOM 429 OE1 GLU A 31 1.969 -5.892 1.894 1.00 0.00 O ATOM 430 OE2 GLU A 31 2.392 -4.817 3.764 1.00 0.00 O ATOM 0 H GLU A 31 0.395 -2.374 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 31 2.464 -3.963 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.863 -2.380 1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.198 -2.299 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.359 -3.454 3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.247 -4.533 2.061 1.00 0.00 H new ATOM 437 N PHE A 32 1.158 -5.933 -0.688 1.00 0.00 N ATOM 438 CA PHE A 32 0.421 -7.154 -0.994 1.00 0.00 C ATOM 439 C PHE A 32 0.039 -7.893 0.285 1.00 0.00 C ATOM 440 O PHE A 32 0.889 -8.177 1.129 1.00 0.00 O ATOM 441 CB PHE A 32 1.256 -8.067 -1.894 1.00 0.00 C ATOM 442 CG PHE A 32 1.830 -7.367 -3.092 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.999 -6.630 -2.985 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.201 -7.445 -4.324 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.528 -5.983 -4.086 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.727 -6.801 -5.428 1.00 0.00 C ATOM 447 CZ PHE A 32 2.893 -6.070 -5.309 1.00 0.00 C ATOM 0 H PHE A 32 2.168 -6.009 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.493 -6.875 -1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.070 -8.495 -1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.635 -8.897 -2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.502 -6.561 -2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.289 -8.016 -4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.438 -5.409 -3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.227 -6.869 -6.383 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.307 -5.568 -6.171 1.00 0.00 H new ATOM 457 N TYR A 33 -1.247 -8.200 0.422 1.00 0.00 N ATOM 458 CA TYR A 33 -1.743 -8.903 1.599 1.00 0.00 C ATOM 459 C TYR A 33 -2.780 -9.952 1.210 1.00 0.00 C ATOM 460 O TYR A 33 -3.265 -9.972 0.079 1.00 0.00 O ATOM 461 CB TYR A 33 -2.353 -7.911 2.592 1.00 0.00 C ATOM 462 CG TYR A 33 -3.730 -7.428 2.197 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.851 -8.224 2.398 1.00 0.00 C ATOM 464 CD2 TYR A 33 -3.909 -6.176 1.621 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.111 -7.786 2.037 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.166 -5.730 1.259 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.263 -6.539 1.469 1.00 0.00 C ATOM 468 OH TYR A 33 -7.516 -6.099 1.109 1.00 0.00 O ATOM 0 H TYR A 33 -1.964 -7.973 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.900 -9.408 2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.410 -8.381 3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.689 -7.052 2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.736 -9.201 2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.052 -5.541 1.453 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.972 -8.417 2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.289 -4.754 0.814 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.675 -6.302 0.164 1.00 0.00 H new ATOM 478 N ALA A 34 -3.115 -10.823 2.157 1.00 0.00 N ATOM 479 CA ALA A 34 -4.096 -11.874 1.915 1.00 0.00 C ATOM 480 C ALA A 34 -5.252 -11.784 2.906 1.00 0.00 C ATOM 481 O ALA A 34 -5.059 -11.589 4.106 1.00 0.00 O ATOM 482 CB ALA A 34 -3.435 -13.241 1.996 1.00 0.00 C ATOM 0 H ALA A 34 -2.722 -10.821 3.098 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.500 -11.737 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.179 -14.016 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.648 -13.310 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.004 -13.378 2.988 1.00 0.00 H new ATOM 488 N PRO A 35 -6.483 -11.928 2.394 1.00 0.00 N ATOM 489 CA PRO A 35 -7.695 -11.867 3.218 1.00 0.00 C ATOM 490 C PRO A 35 -7.831 -13.073 4.140 1.00 0.00 C ATOM 491 O PRO A 35 -8.763 -13.153 4.940 1.00 0.00 O ATOM 492 CB PRO A 35 -8.825 -11.853 2.185 1.00 0.00 C ATOM 493 CG PRO A 35 -8.249 -12.520 0.984 1.00 0.00 C ATOM 494 CD PRO A 35 -6.788 -12.163 0.973 1.00 0.00 C ATOM 0 HA PRO A 35 -7.694 -11.002 3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.703 -12.386 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.142 -10.835 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.386 -13.600 1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.741 -12.178 0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.181 -12.968 0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.596 -11.276 0.369 1.00 0.00 H new ATOM 502 N TRP A 36 -6.896 -14.009 4.023 1.00 0.00 N ATOM 503 CA TRP A 36 -6.912 -15.212 4.848 1.00 0.00 C ATOM 504 C TRP A 36 -5.641 -15.315 5.685 1.00 0.00 C ATOM 505 O TRP A 36 -5.495 -16.228 6.498 1.00 0.00 O ATOM 506 CB TRP A 36 -7.061 -16.455 3.970 1.00 0.00 C ATOM 507 CG TRP A 36 -6.413 -16.314 2.626 1.00 0.00 C ATOM 508 CD1 TRP A 36 -7.042 -16.133 1.427 1.00 0.00 C ATOM 509 CD2 TRP A 36 -5.009 -16.345 2.343 1.00 0.00 C ATOM 510 NE1 TRP A 36 -6.115 -16.049 0.417 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.860 -16.175 0.953 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.864 -16.497 3.130 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.613 -16.155 0.335 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.627 -16.477 2.515 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.509 -16.306 1.129 1.00 0.00 C ATOM 0 H TRP A 36 -6.118 -13.958 3.366 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.765 -15.148 5.523 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.626 -17.310 4.487 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.121 -16.670 3.834 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.112 -16.066 1.293 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.326 -15.915 -0.572 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.945 -16.628 4.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.520 -16.025 -0.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.735 -16.595 3.113 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.527 -16.293 0.679 1.00 0.00 H new ATOM 526 N CYS A 37 -4.726 -14.374 5.481 1.00 0.00 N ATOM 527 CA CYS A 37 -3.467 -14.360 6.218 1.00 0.00 C ATOM 528 C CYS A 37 -3.600 -13.555 7.506 1.00 0.00 C ATOM 529 O CYS A 37 -3.752 -12.334 7.475 1.00 0.00 O ATOM 530 CB CYS A 37 -2.351 -13.776 5.350 1.00 0.00 C ATOM 531 SG CYS A 37 -0.827 -13.414 6.253 1.00 0.00 S ATOM 0 H CYS A 37 -4.832 -13.611 4.812 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.215 -15.388 6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.126 -14.477 4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.711 -12.859 4.883 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.425 -12.213 5.962 1.00 0.00 H new ATOM 537 N GLY A 38 -3.543 -14.247 8.640 1.00 0.00 N ATOM 538 CA GLY A 38 -3.661 -13.581 9.923 1.00 0.00 C ATOM 539 C GLY A 38 -2.662 -12.452 10.084 1.00 0.00 C ATOM 540 O GLY A 38 -3.039 -11.316 10.375 1.00 0.00 O ATOM 0 H GLY A 38 -3.417 -15.258 8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.671 -13.187 10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.514 -14.308 10.721 1.00 0.00 H new ATOM 544 N HIS A 39 -1.384 -12.763 9.896 1.00 0.00 N ATOM 545 CA HIS A 39 -0.327 -11.766 10.022 1.00 0.00 C ATOM 546 C HIS A 39 -0.705 -10.478 9.296 1.00 0.00 C ATOM 547 O HIS A 39 -0.444 -9.379 9.786 1.00 0.00 O ATOM 548 CB HIS A 39 0.988 -12.312 9.465 1.00 0.00 C ATOM 549 CG HIS A 39 1.462 -13.553 10.157 1.00 0.00 C ATOM 550 ND1 HIS A 39 2.169 -14.548 9.516 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.329 -13.956 11.442 1.00 0.00 C ATOM 552 CE1 HIS A 39 2.448 -15.511 10.376 1.00 0.00 C ATOM 553 NE2 HIS A 39 1.950 -15.176 11.552 1.00 0.00 N ATOM 0 H HIS A 39 -1.055 -13.698 9.656 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.199 -11.541 11.081 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.863 -12.523 8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.756 -11.543 9.549 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.828 -13.418 12.233 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.991 -16.418 10.155 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.016 -15.733 12.404 1.00 0.00 H new ATOM 562 N CYS A 40 -1.321 -10.623 8.128 1.00 0.00 N ATOM 563 CA CYS A 40 -1.733 -9.471 7.334 1.00 0.00 C ATOM 564 C CYS A 40 -2.935 -8.777 7.967 1.00 0.00 C ATOM 565 O CYS A 40 -3.009 -7.548 8.000 1.00 0.00 O ATOM 566 CB CYS A 40 -2.073 -9.905 5.907 1.00 0.00 C ATOM 567 SG CYS A 40 -0.627 -10.200 4.862 1.00 0.00 S ATOM 0 H CYS A 40 -1.546 -11.526 7.710 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.903 -8.765 7.304 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.670 -10.816 5.948 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.693 -9.138 5.443 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.908 -11.112 3.979 1.00 0.00 H new ATOM 573 N LYS A 41 -3.875 -9.571 8.467 1.00 0.00 N ATOM 574 CA LYS A 41 -5.074 -9.035 9.099 1.00 0.00 C ATOM 575 C LYS A 41 -4.713 -8.021 10.179 1.00 0.00 C ATOM 576 O LYS A 41 -5.403 -7.019 10.359 1.00 0.00 O ATOM 577 CB LYS A 41 -5.907 -10.167 9.704 1.00 0.00 C ATOM 578 CG LYS A 41 -6.918 -10.762 8.739 1.00 0.00 C ATOM 579 CD LYS A 41 -7.542 -12.030 9.297 1.00 0.00 C ATOM 580 CE LYS A 41 -8.380 -11.741 10.533 1.00 0.00 C ATOM 581 NZ LYS A 41 -8.970 -12.982 11.106 1.00 0.00 N ATOM 0 H LYS A 41 -3.829 -10.590 8.447 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.662 -8.529 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.238 -10.956 10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.433 -9.791 10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.700 -10.031 8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.430 -10.983 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.166 -12.496 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.757 -12.744 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.761 -11.252 11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.178 -11.045 10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.534 -12.742 11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.581 -13.435 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.208 -13.636 11.375 1.00 0.00 H new ATOM 595 N ASN A 42 -3.625 -8.289 10.895 1.00 0.00 N ATOM 596 CA ASN A 42 -3.172 -7.399 11.958 1.00 0.00 C ATOM 597 C ASN A 42 -2.551 -6.131 11.378 1.00 0.00 C ATOM 598 O ASN A 42 -2.525 -5.086 12.030 1.00 0.00 O ATOM 599 CB ASN A 42 -2.157 -8.114 12.852 1.00 0.00 C ATOM 600 CG ASN A 42 -1.435 -7.161 13.785 1.00 0.00 C ATOM 601 OD1 ASN A 42 -2.045 -6.262 14.365 1.00 0.00 O ATOM 602 ND2 ASN A 42 -0.130 -7.354 13.934 1.00 0.00 N ATOM 0 H ASN A 42 -3.042 -9.114 10.758 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.039 -7.117 12.556 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.668 -8.876 13.440 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.427 -8.630 12.228 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.409 -6.744 14.549 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.334 -8.112 13.433 1.00 0.00 H new ATOM 609 N LEU A 43 -2.054 -6.231 10.151 1.00 0.00 N ATOM 610 CA LEU A 43 -1.434 -5.092 9.482 1.00 0.00 C ATOM 611 C LEU A 43 -2.486 -4.213 8.815 1.00 0.00 C ATOM 612 O LEU A 43 -2.273 -3.018 8.614 1.00 0.00 O ATOM 613 CB LEU A 43 -0.423 -5.576 8.441 1.00 0.00 C ATOM 614 CG LEU A 43 -0.115 -4.603 7.302 1.00 0.00 C ATOM 615 CD1 LEU A 43 0.768 -3.467 7.794 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.548 -5.333 6.142 1.00 0.00 C ATOM 0 H LEU A 43 -2.068 -7.088 9.599 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.916 -4.498 10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.510 -5.813 8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.794 -6.505 8.008 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.054 -4.178 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.976 -2.785 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.256 -2.927 8.591 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.705 -3.873 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.760 -4.625 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.479 -5.786 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.120 -6.111 5.772 1.00 0.00 H new ATOM 628 N GLU A 44 -3.623 -4.813 8.477 1.00 0.00 N ATOM 629 CA GLU A 44 -4.710 -4.083 7.834 1.00 0.00 C ATOM 630 C GLU A 44 -4.814 -2.665 8.388 1.00 0.00 C ATOM 631 O GLU A 44 -4.716 -1.678 7.658 1.00 0.00 O ATOM 632 CB GLU A 44 -6.037 -4.819 8.033 1.00 0.00 C ATOM 633 CG GLU A 44 -7.238 -3.893 8.123 1.00 0.00 C ATOM 634 CD GLU A 44 -8.556 -4.641 8.055 1.00 0.00 C ATOM 635 OE1 GLU A 44 -8.676 -5.559 7.217 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.468 -4.307 8.841 1.00 0.00 O ATOM 0 H GLU A 44 -3.816 -5.802 8.637 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.493 -4.024 6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.185 -5.514 7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.979 -5.415 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.190 -3.332 9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.194 -3.167 7.311 1.00 0.00 H new ATOM 643 N PRO A 45 -5.019 -2.559 9.709 1.00 0.00 N ATOM 644 CA PRO A 45 -5.142 -1.267 10.391 1.00 0.00 C ATOM 645 C PRO A 45 -3.820 -0.508 10.436 1.00 0.00 C ATOM 646 O PRO A 45 -3.798 0.721 10.368 1.00 0.00 O ATOM 647 CB PRO A 45 -5.586 -1.652 11.804 1.00 0.00 C ATOM 648 CG PRO A 45 -5.084 -3.042 11.994 1.00 0.00 C ATOM 649 CD PRO A 45 -5.147 -3.693 10.640 1.00 0.00 C ATOM 0 HA PRO A 45 -5.836 -0.600 9.879 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.168 -0.975 12.549 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.670 -1.606 11.905 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.064 -3.040 12.379 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.696 -3.583 12.716 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.343 -4.417 10.504 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.085 -4.228 10.495 1.00 0.00 H new ATOM 657 N GLU A 46 -2.722 -1.248 10.551 1.00 0.00 N ATOM 658 CA GLU A 46 -1.396 -0.642 10.606 1.00 0.00 C ATOM 659 C GLU A 46 -1.066 0.063 9.293 1.00 0.00 C ATOM 660 O GLU A 46 -0.338 1.056 9.277 1.00 0.00 O ATOM 661 CB GLU A 46 -0.338 -1.705 10.907 1.00 0.00 C ATOM 662 CG GLU A 46 -0.325 -2.157 12.357 1.00 0.00 C ATOM 663 CD GLU A 46 0.462 -3.437 12.562 1.00 0.00 C ATOM 664 OE1 GLU A 46 0.920 -4.019 11.556 1.00 0.00 O ATOM 665 OE2 GLU A 46 0.621 -3.857 13.728 1.00 0.00 O ATOM 0 H GLU A 46 -2.724 -2.266 10.608 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.395 0.098 11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.512 -2.570 10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.645 -1.310 10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.103 -1.368 12.976 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.350 -2.307 12.696 1.00 0.00 H new ATOM 672 N TRP A 47 -1.604 -0.458 8.197 1.00 0.00 N ATOM 673 CA TRP A 47 -1.367 0.121 6.880 1.00 0.00 C ATOM 674 C TRP A 47 -2.331 1.270 6.608 1.00 0.00 C ATOM 675 O TRP A 47 -1.984 2.237 5.931 1.00 0.00 O ATOM 676 CB TRP A 47 -1.510 -0.949 5.796 1.00 0.00 C ATOM 677 CG TRP A 47 -1.053 -0.491 4.444 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.842 -0.065 3.413 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.298 -0.413 3.977 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.062 0.271 2.333 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.254 0.068 2.654 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.540 -0.702 4.548 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.405 0.264 1.895 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.682 -0.506 3.794 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.608 -0.026 2.479 1.00 0.00 C ATOM 0 H TRP A 47 -2.207 -1.280 8.194 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.350 0.513 6.861 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.936 -1.829 6.087 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.554 -1.256 5.734 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.920 -0.002 3.443 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.407 0.616 1.437 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.607 -1.072 5.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.350 0.632 0.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.647 -0.726 4.225 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.518 0.118 1.916 1.00 0.00 H new ATOM 696 N ALA A 48 -3.544 1.157 7.140 1.00 0.00 N ATOM 697 CA ALA A 48 -4.557 2.189 6.956 1.00 0.00 C ATOM 698 C ALA A 48 -4.079 3.532 7.496 1.00 0.00 C ATOM 699 O ALA A 48 -4.029 4.522 6.768 1.00 0.00 O ATOM 700 CB ALA A 48 -5.857 1.778 7.632 1.00 0.00 C ATOM 0 H ALA A 48 -3.849 0.362 7.701 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.735 2.301 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.605 2.558 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.215 0.846 7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.683 1.636 8.699 1.00 0.00 H new ATOM 706 N ALA A 49 -3.729 3.557 8.778 1.00 0.00 N ATOM 707 CA ALA A 49 -3.253 4.778 9.416 1.00 0.00 C ATOM 708 C ALA A 49 -1.994 5.300 8.733 1.00 0.00 C ATOM 709 O ALA A 49 -1.914 6.473 8.370 1.00 0.00 O ATOM 710 CB ALA A 49 -2.991 4.534 10.895 1.00 0.00 C ATOM 0 H ALA A 49 -3.766 2.746 9.395 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.030 5.536 9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.636 5.455 11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.914 4.216 11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.235 3.757 11.007 1.00 0.00 H new ATOM 716 N ALA A 50 -1.012 4.421 8.561 1.00 0.00 N ATOM 717 CA ALA A 50 0.243 4.793 7.920 1.00 0.00 C ATOM 718 C ALA A 50 -0.004 5.665 6.693 1.00 0.00 C ATOM 719 O ALA A 50 0.630 6.706 6.522 1.00 0.00 O ATOM 720 CB ALA A 50 1.028 3.548 7.534 1.00 0.00 C ATOM 0 H ALA A 50 -1.062 3.446 8.857 1.00 0.00 H new ATOM 0 HA ALA A 50 0.828 5.372 8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.963 3.841 7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.245 2.963 8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.439 2.947 6.841 1.00 0.00 H new ATOM 726 N ALA A 51 -0.930 5.233 5.843 1.00 0.00 N ATOM 727 CA ALA A 51 -1.261 5.976 4.633 1.00 0.00 C ATOM 728 C ALA A 51 -1.659 7.411 4.961 1.00 0.00 C ATOM 729 O ALA A 51 -1.253 8.350 4.277 1.00 0.00 O ATOM 730 CB ALA A 51 -2.379 5.276 3.874 1.00 0.00 C ATOM 0 H ALA A 51 -1.464 4.373 5.970 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.373 6.009 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.616 5.841 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.058 4.271 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.264 5.213 4.507 1.00 0.00 H new ATOM 736 N SER A 52 -2.457 7.573 6.012 1.00 0.00 N ATOM 737 CA SER A 52 -2.914 8.893 6.428 1.00 0.00 C ATOM 738 C SER A 52 -1.777 9.686 7.066 1.00 0.00 C ATOM 739 O SER A 52 -1.659 10.894 6.863 1.00 0.00 O ATOM 740 CB SER A 52 -4.078 8.767 7.414 1.00 0.00 C ATOM 741 OG SER A 52 -5.318 8.696 6.732 1.00 0.00 O ATOM 0 H SER A 52 -2.800 6.806 6.591 1.00 0.00 H new ATOM 0 HA SER A 52 -3.254 9.428 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.945 7.875 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.080 9.622 8.091 1.00 0.00 H new ATOM 0 HG SER A 52 -6.045 8.614 7.384 1.00 0.00 H new ATOM 747 N GLU A 53 -0.943 8.996 7.837 1.00 0.00 N ATOM 748 CA GLU A 53 0.185 9.635 8.505 1.00 0.00 C ATOM 749 C GLU A 53 1.306 9.935 7.514 1.00 0.00 C ATOM 750 O GLU A 53 2.245 10.667 7.825 1.00 0.00 O ATOM 751 CB GLU A 53 0.711 8.743 9.632 1.00 0.00 C ATOM 752 CG GLU A 53 2.022 9.226 10.228 1.00 0.00 C ATOM 753 CD GLU A 53 2.168 8.857 11.692 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.133 8.720 12.376 1.00 0.00 O ATOM 755 OE2 GLU A 53 3.319 8.705 12.153 1.00 0.00 O ATOM 0 H GLU A 53 -1.027 7.995 8.015 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.163 10.577 8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.039 8.689 10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.846 7.731 9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.852 8.799 9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.088 10.309 10.122 1.00 0.00 H new ATOM 762 N VAL A 54 1.199 9.363 6.319 1.00 0.00 N ATOM 763 CA VAL A 54 2.203 9.568 5.281 1.00 0.00 C ATOM 764 C VAL A 54 1.814 10.720 4.361 1.00 0.00 C ATOM 765 O VAL A 54 2.645 11.559 4.012 1.00 0.00 O ATOM 766 CB VAL A 54 2.405 8.297 4.436 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.107 8.630 3.129 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.189 7.255 5.221 1.00 0.00 C ATOM 0 H VAL A 54 0.428 8.754 6.046 1.00 0.00 H new ATOM 0 HA VAL A 54 3.137 9.810 5.788 1.00 0.00 H new ATOM 0 HB VAL A 54 1.426 7.880 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.241 7.719 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.503 9.339 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.081 9.071 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.323 6.363 4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.165 7.660 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.642 6.995 6.127 1.00 0.00 H new ATOM 778 N LYS A 55 0.544 10.755 3.971 1.00 0.00 N ATOM 779 CA LYS A 55 0.042 11.805 3.093 1.00 0.00 C ATOM 780 C LYS A 55 -0.037 13.139 3.828 1.00 0.00 C ATOM 781 O LYS A 55 0.040 14.202 3.214 1.00 0.00 O ATOM 782 CB LYS A 55 -1.338 11.428 2.550 1.00 0.00 C ATOM 783 CG LYS A 55 -2.482 11.830 3.464 1.00 0.00 C ATOM 784 CD LYS A 55 -3.832 11.578 2.813 1.00 0.00 C ATOM 785 CE LYS A 55 -4.949 12.306 3.546 1.00 0.00 C ATOM 786 NZ LYS A 55 -5.178 13.669 2.994 1.00 0.00 N ATOM 0 H LYS A 55 -0.156 10.068 4.249 1.00 0.00 H new ATOM 0 HA LYS A 55 0.738 11.910 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.478 11.900 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.374 10.351 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.417 11.270 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.391 12.886 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.803 11.906 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.039 10.508 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.869 11.726 3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.701 12.380 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.946 14.132 3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.308 14.231 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.440 13.597 1.990 1.00 0.00 H new ATOM 800 N GLU A 56 -0.189 13.074 5.147 1.00 0.00 N ATOM 801 CA GLU A 56 -0.278 14.278 5.966 1.00 0.00 C ATOM 802 C GLU A 56 1.102 14.896 6.175 1.00 0.00 C ATOM 803 O GLU A 56 1.225 16.098 6.410 1.00 0.00 O ATOM 804 CB GLU A 56 -0.915 13.956 7.319 1.00 0.00 C ATOM 805 CG GLU A 56 0.034 13.278 8.293 1.00 0.00 C ATOM 806 CD GLU A 56 -0.667 12.781 9.542 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.896 12.563 9.484 1.00 0.00 O ATOM 808 OE2 GLU A 56 0.011 12.611 10.576 1.00 0.00 O ATOM 0 H GLU A 56 -0.253 12.201 5.671 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.905 14.999 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.283 14.879 7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.780 13.312 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.520 12.439 7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.819 13.979 8.576 1.00 0.00 H new ATOM 815 N GLN A 57 2.135 14.065 6.088 1.00 0.00 N ATOM 816 CA GLN A 57 3.506 14.530 6.268 1.00 0.00 C ATOM 817 C GLN A 57 4.166 14.815 4.923 1.00 0.00 C ATOM 818 O GLN A 57 4.941 15.762 4.788 1.00 0.00 O ATOM 819 CB GLN A 57 4.321 13.491 7.040 1.00 0.00 C ATOM 820 CG GLN A 57 3.929 13.374 8.504 1.00 0.00 C ATOM 821 CD GLN A 57 4.802 12.397 9.266 1.00 0.00 C ATOM 822 OE1 GLN A 57 5.485 12.771 10.220 1.00 0.00 O ATOM 823 NE2 GLN A 57 4.784 11.137 8.849 1.00 0.00 N ATOM 0 H GLN A 57 2.050 13.067 5.894 1.00 0.00 H new ATOM 0 HA GLN A 57 3.477 15.457 6.840 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.201 12.519 6.562 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.378 13.750 6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.994 14.356 8.973 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.889 13.056 8.573 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.203 10.871 8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.351 10.435 9.324 1.00 0.00 H new ATOM 832 N THR A 58 3.854 13.989 3.929 1.00 0.00 N ATOM 833 CA THR A 58 4.417 14.151 2.595 1.00 0.00 C ATOM 834 C THR A 58 3.588 15.121 1.762 1.00 0.00 C ATOM 835 O THR A 58 3.889 15.368 0.594 1.00 0.00 O ATOM 836 CB THR A 58 4.506 12.803 1.855 1.00 0.00 C ATOM 837 OG1 THR A 58 3.192 12.289 1.613 1.00 0.00 O ATOM 838 CG2 THR A 58 5.309 11.794 2.663 1.00 0.00 C ATOM 0 H THR A 58 3.214 13.201 4.023 1.00 0.00 H new ATOM 0 HA THR A 58 5.422 14.554 2.723 1.00 0.00 H new ATOM 0 HB THR A 58 5.012 12.969 0.904 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.915 11.731 2.369 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.358 10.850 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.318 12.175 2.821 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.827 11.634 3.627 1.00 0.00 H new ATOM 846 N LYS A 59 2.541 15.670 2.369 1.00 0.00 N ATOM 847 CA LYS A 59 1.668 16.616 1.685 1.00 0.00 C ATOM 848 C LYS A 59 0.982 15.958 0.492 1.00 0.00 C ATOM 849 O LYS A 59 0.795 16.582 -0.551 1.00 0.00 O ATOM 850 CB LYS A 59 2.468 17.834 1.217 1.00 0.00 C ATOM 851 CG LYS A 59 2.922 18.735 2.353 1.00 0.00 C ATOM 852 CD LYS A 59 4.284 18.321 2.883 1.00 0.00 C ATOM 853 CE LYS A 59 5.044 19.508 3.456 1.00 0.00 C ATOM 854 NZ LYS A 59 6.098 19.081 4.417 1.00 0.00 N ATOM 0 H LYS A 59 2.277 15.475 3.335 1.00 0.00 H new ATOM 0 HA LYS A 59 0.902 16.940 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.342 17.493 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.858 18.415 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.964 19.767 2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.191 18.701 3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.160 17.561 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.866 17.868 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.501 20.073 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.346 20.178 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.593 19.919 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.660 18.564 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.779 18.462 3.933 1.00 0.00 H new ATOM 868 N GLY A 60 0.606 14.692 0.655 1.00 0.00 N ATOM 869 CA GLY A 60 -0.057 13.971 -0.416 1.00 0.00 C ATOM 870 C GLY A 60 0.920 13.419 -1.434 1.00 0.00 C ATOM 871 O GLY A 60 0.559 12.584 -2.264 1.00 0.00 O ATOM 0 H GLY A 60 0.749 14.154 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.638 13.151 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.761 14.636 -0.916 1.00 0.00 H new ATOM 875 N LYS A 61 2.163 13.886 -1.374 1.00 0.00 N ATOM 876 CA LYS A 61 3.196 13.434 -2.298 1.00 0.00 C ATOM 877 C LYS A 61 3.258 11.910 -2.343 1.00 0.00 C ATOM 878 O LYS A 61 2.906 11.294 -3.349 1.00 0.00 O ATOM 879 CB LYS A 61 4.559 13.998 -1.887 1.00 0.00 C ATOM 880 CG LYS A 61 5.621 13.867 -2.965 1.00 0.00 C ATOM 881 CD LYS A 61 5.345 12.686 -3.880 1.00 0.00 C ATOM 882 CE LYS A 61 6.351 12.615 -5.018 1.00 0.00 C ATOM 883 NZ LYS A 61 6.035 13.589 -6.099 1.00 0.00 N ATOM 0 H LYS A 61 2.479 14.578 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 61 2.943 13.799 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.444 15.050 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.900 13.484 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.658 14.784 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.600 13.747 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.381 11.762 -3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.338 12.768 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.351 12.813 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.362 11.606 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.724 13.486 -6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.078 13.406 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.082 14.556 -5.720 1.00 0.00 H new ATOM 897 N VAL A 62 3.705 11.308 -1.246 1.00 0.00 N ATOM 898 CA VAL A 62 3.809 9.856 -1.159 1.00 0.00 C ATOM 899 C VAL A 62 2.478 9.233 -0.754 1.00 0.00 C ATOM 900 O VAL A 62 1.928 9.548 0.301 1.00 0.00 O ATOM 901 CB VAL A 62 4.892 9.430 -0.150 1.00 0.00 C ATOM 902 CG1 VAL A 62 5.021 7.915 -0.113 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.224 10.079 -0.493 1.00 0.00 C ATOM 0 H VAL A 62 4.001 11.803 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 62 4.087 9.499 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 62 4.594 9.769 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.791 7.633 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.069 7.476 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.296 7.549 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.978 9.767 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.531 9.772 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.119 11.163 -0.463 1.00 0.00 H new ATOM 913 N LYS A 63 1.966 8.344 -1.598 1.00 0.00 N ATOM 914 CA LYS A 63 0.700 7.673 -1.328 1.00 0.00 C ATOM 915 C LYS A 63 0.924 6.202 -0.992 1.00 0.00 C ATOM 916 O LYS A 63 1.965 5.631 -1.322 1.00 0.00 O ATOM 917 CB LYS A 63 -0.233 7.795 -2.535 1.00 0.00 C ATOM 918 CG LYS A 63 -0.640 9.224 -2.847 1.00 0.00 C ATOM 919 CD LYS A 63 -1.286 9.333 -4.218 1.00 0.00 C ATOM 920 CE LYS A 63 -2.780 9.054 -4.155 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.510 10.108 -3.397 1.00 0.00 N ATOM 0 H LYS A 63 2.409 8.071 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 63 0.237 8.157 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.259 7.367 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.129 7.203 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.336 9.579 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.237 9.871 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.118 10.331 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.812 8.629 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.181 8.991 -5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.949 8.085 -3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.508 10.117 -3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.449 9.908 -2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.084 11.036 -3.594 1.00 0.00 H new ATOM 935 N LEU A 64 -0.058 5.593 -0.337 1.00 0.00 N ATOM 936 CA LEU A 64 0.032 4.187 0.042 1.00 0.00 C ATOM 937 C LEU A 64 -1.181 3.410 -0.458 1.00 0.00 C ATOM 938 O LEU A 64 -2.323 3.791 -0.204 1.00 0.00 O ATOM 939 CB LEU A 64 0.146 4.055 1.562 1.00 0.00 C ATOM 940 CG LEU A 64 1.565 4.071 2.132 1.00 0.00 C ATOM 941 CD1 LEU A 64 2.199 5.441 1.947 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.553 3.681 3.603 1.00 0.00 C ATOM 0 H LEU A 64 -0.926 6.050 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 64 0.925 3.767 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.418 4.868 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.335 3.124 1.863 1.00 0.00 H new ATOM 0 HG LEU A 64 2.163 3.340 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.208 5.433 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.242 5.682 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.602 6.191 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.571 3.698 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.939 4.388 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.140 2.678 3.710 1.00 0.00 H new ATOM 954 N ALA A 65 -0.925 2.317 -1.169 1.00 0.00 N ATOM 955 CA ALA A 65 -1.996 1.483 -1.701 1.00 0.00 C ATOM 956 C ALA A 65 -1.809 0.024 -1.297 1.00 0.00 C ATOM 957 O ALA A 65 -0.737 -0.370 -0.839 1.00 0.00 O ATOM 958 CB ALA A 65 -2.061 1.609 -3.215 1.00 0.00 C ATOM 0 H ALA A 65 0.015 1.988 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.938 1.832 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.865 0.981 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.251 2.648 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.113 1.289 -3.648 1.00 0.00 H new ATOM 964 N ALA A 66 -2.858 -0.772 -1.470 1.00 0.00 N ATOM 965 CA ALA A 66 -2.808 -2.188 -1.125 1.00 0.00 C ATOM 966 C ALA A 66 -3.311 -3.052 -2.277 1.00 0.00 C ATOM 967 O ALA A 66 -4.139 -2.617 -3.077 1.00 0.00 O ATOM 968 CB ALA A 66 -3.623 -2.454 0.132 1.00 0.00 C ATOM 0 H ALA A 66 -3.753 -0.461 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.768 -2.453 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.577 -3.515 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.217 -1.872 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.660 -2.166 -0.039 1.00 0.00 H new ATOM 974 N VAL A 67 -2.804 -4.278 -2.356 1.00 0.00 N ATOM 975 CA VAL A 67 -3.203 -5.204 -3.409 1.00 0.00 C ATOM 976 C VAL A 67 -3.483 -6.592 -2.845 1.00 0.00 C ATOM 977 O VAL A 67 -2.937 -6.974 -1.809 1.00 0.00 O ATOM 978 CB VAL A 67 -2.120 -5.313 -4.499 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.563 -6.266 -5.599 1.00 0.00 C ATOM 980 CG2 VAL A 67 -1.797 -3.941 -5.069 1.00 0.00 C ATOM 0 H VAL A 67 -2.116 -4.653 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.116 -4.805 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.214 -5.715 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.785 -6.330 -6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.738 -7.255 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.483 -5.897 -6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.030 -4.038 -5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.696 -3.508 -5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.433 -3.293 -4.272 1.00 0.00 H new ATOM 990 N ASP A 68 -4.336 -7.343 -3.532 1.00 0.00 N ATOM 991 CA ASP A 68 -4.688 -8.690 -3.100 1.00 0.00 C ATOM 992 C ASP A 68 -4.025 -9.737 -3.991 1.00 0.00 C ATOM 993 O ASP A 68 -4.528 -10.058 -5.067 1.00 0.00 O ATOM 994 CB ASP A 68 -6.206 -8.875 -3.119 1.00 0.00 C ATOM 995 CG ASP A 68 -6.928 -7.820 -2.303 1.00 0.00 C ATOM 996 OD1 ASP A 68 -6.355 -7.354 -1.295 1.00 0.00 O ATOM 997 OD2 ASP A 68 -8.065 -7.460 -2.672 1.00 0.00 O ATOM 0 H ASP A 68 -4.797 -7.042 -4.391 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.326 -8.824 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.561 -8.839 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.454 -9.863 -2.731 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.894 -10.264 -3.535 1.00 0.00 N ATOM 1003 CA ALA A 69 -2.163 -11.274 -4.289 1.00 0.00 C ATOM 1004 C ALA A 69 -3.076 -12.428 -4.690 1.00 0.00 C ATOM 1005 O ALA A 69 -2.742 -13.222 -5.570 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.985 -11.790 -3.477 1.00 0.00 C ATOM 0 H ALA A 69 -2.464 -10.008 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.787 -10.809 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.448 -12.544 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.313 -10.964 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.348 -12.233 -2.550 1.00 0.00 H new ATOM 1012 N THR A 70 -4.233 -12.515 -4.040 1.00 0.00 N ATOM 1013 CA THR A 70 -5.194 -13.572 -4.327 1.00 0.00 C ATOM 1014 C THR A 70 -5.883 -13.339 -5.667 1.00 0.00 C ATOM 1015 O THR A 70 -6.239 -14.287 -6.367 1.00 0.00 O ATOM 1016 CB THR A 70 -6.263 -13.674 -3.223 1.00 0.00 C ATOM 1017 OG1 THR A 70 -7.024 -12.463 -3.164 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.620 -13.942 -1.871 1.00 0.00 C ATOM 0 H THR A 70 -4.527 -11.865 -3.311 1.00 0.00 H new ATOM 0 HA THR A 70 -4.634 -14.506 -4.367 1.00 0.00 H new ATOM 0 HB THR A 70 -6.925 -14.506 -3.464 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.702 -12.537 -2.461 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.394 -14.010 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.066 -14.880 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.938 -13.128 -1.625 1.00 0.00 H new ATOM 1026 N VAL A 71 -6.069 -12.070 -6.019 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.715 -11.713 -7.276 1.00 0.00 C ATOM 1028 C VAL A 71 -5.698 -11.195 -8.288 1.00 0.00 C ATOM 1029 O VAL A 71 -5.879 -11.345 -9.496 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.802 -10.643 -7.064 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.467 -10.288 -8.385 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.831 -11.123 -6.052 1.00 0.00 C ATOM 0 H VAL A 71 -5.781 -11.273 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.179 -12.620 -7.663 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.330 -9.743 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.232 -9.531 -8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.719 -9.900 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.927 -11.179 -8.812 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.592 -10.355 -5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.300 -12.037 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.339 -11.322 -5.100 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.629 -10.586 -7.786 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.583 -10.046 -8.646 1.00 0.00 C ATOM 1044 C ASN A 72 -2.532 -11.108 -8.957 1.00 0.00 C ATOM 1045 O ASN A 72 -1.770 -11.515 -8.080 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.921 -8.837 -7.982 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.629 -7.537 -8.313 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.135 -6.732 -9.103 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.793 -7.326 -7.709 1.00 0.00 N ATOM 0 H ASN A 72 -4.464 -10.454 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.044 -9.731 -9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.913 -8.978 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.881 -8.773 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.315 -6.469 -7.893 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.165 -8.021 -7.061 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.497 -11.550 -10.210 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.540 -12.564 -10.636 1.00 0.00 C ATOM 1058 C GLN A 73 -0.494 -11.966 -11.571 1.00 0.00 C ATOM 1059 O GLN A 73 0.654 -12.409 -11.600 1.00 0.00 O ATOM 1060 CB GLN A 73 -2.263 -13.718 -11.331 1.00 0.00 C ATOM 1061 CG GLN A 73 -3.315 -14.389 -10.461 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.746 -15.520 -9.626 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -2.294 -16.534 -10.159 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.767 -15.351 -8.309 1.00 0.00 N ATOM 0 H GLN A 73 -3.120 -11.222 -10.948 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.033 -12.945 -9.749 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.738 -13.344 -12.238 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.529 -14.463 -11.639 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.764 -13.646 -9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.113 -14.776 -11.095 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.151 -14.494 -7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.399 -16.078 -7.696 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.899 -10.958 -12.337 1.00 0.00 N ATOM 1074 CA VAL A 74 0.003 -10.299 -13.274 1.00 0.00 C ATOM 1075 C VAL A 74 1.201 -9.694 -12.550 1.00 0.00 C ATOM 1076 O VAL A 74 2.329 -9.748 -13.041 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.719 -9.191 -14.063 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.230 -8.537 -15.056 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.942 -9.753 -14.773 1.00 0.00 C ATOM 0 H VAL A 74 -1.846 -10.580 -12.327 1.00 0.00 H new ATOM 0 HA VAL A 74 0.350 -11.063 -13.970 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.054 -8.428 -13.360 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.298 -7.757 -15.604 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.071 -8.098 -14.520 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.597 -9.287 -15.756 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.440 -8.956 -15.326 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.633 -10.536 -15.465 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.630 -10.170 -14.038 1.00 0.00 H new ATOM 1089 N LEU A 75 0.948 -9.118 -11.380 1.00 0.00 N ATOM 1090 CA LEU A 75 2.007 -8.503 -10.586 1.00 0.00 C ATOM 1091 C LEU A 75 2.710 -9.541 -9.717 1.00 0.00 C ATOM 1092 O LEU A 75 3.927 -9.704 -9.791 1.00 0.00 O ATOM 1093 CB LEU A 75 1.431 -7.391 -9.707 1.00 0.00 C ATOM 1094 CG LEU A 75 0.597 -6.331 -10.427 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.112 -5.437 -9.422 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.474 -5.502 -11.355 1.00 0.00 C ATOM 0 H LEU A 75 0.020 -9.064 -10.960 1.00 0.00 H new ATOM 0 HA LEU A 75 2.739 -8.075 -11.271 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.812 -7.849 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.257 -6.892 -9.199 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.158 -6.837 -11.029 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.701 -4.689 -9.953 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.771 -6.042 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.626 -4.939 -8.794 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.864 -4.753 -11.859 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.251 -5.006 -10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.936 -6.153 -12.097 1.00 0.00 H new ATOM 1108 N ALA A 76 1.934 -10.241 -8.897 1.00 0.00 N ATOM 1109 CA ALA A 76 2.482 -11.267 -8.017 1.00 0.00 C ATOM 1110 C ALA A 76 3.427 -12.192 -8.775 1.00 0.00 C ATOM 1111 O ALA A 76 4.337 -12.780 -8.190 1.00 0.00 O ATOM 1112 CB ALA A 76 1.358 -12.067 -7.376 1.00 0.00 C ATOM 0 H ALA A 76 0.924 -10.117 -8.823 1.00 0.00 H new ATOM 0 HA ALA A 76 3.053 -10.771 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.781 -12.829 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.723 -11.400 -6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.763 -12.546 -8.154 1.00 0.00 H new ATOM 1118 N SER A 77 3.206 -12.317 -10.080 1.00 0.00 N ATOM 1119 CA SER A 77 4.036 -13.175 -10.917 1.00 0.00 C ATOM 1120 C SER A 77 5.225 -12.401 -11.477 1.00 0.00 C ATOM 1121 O SER A 77 6.312 -12.952 -11.653 1.00 0.00 O ATOM 1122 CB SER A 77 3.209 -13.761 -12.062 1.00 0.00 C ATOM 1123 OG SER A 77 3.786 -14.961 -12.547 1.00 0.00 O ATOM 0 H SER A 77 2.459 -11.835 -10.580 1.00 0.00 H new ATOM 0 HA SER A 77 4.414 -13.989 -10.298 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.193 -13.956 -11.718 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.138 -13.035 -12.872 1.00 0.00 H new ATOM 0 HG SER A 77 3.237 -15.316 -13.277 1.00 0.00 H new ATOM 1129 N ARG A 78 5.011 -11.119 -11.756 1.00 0.00 N ATOM 1130 CA ARG A 78 6.063 -10.268 -12.298 1.00 0.00 C ATOM 1131 C ARG A 78 7.211 -10.123 -11.303 1.00 0.00 C ATOM 1132 O ARG A 78 8.382 -10.176 -11.678 1.00 0.00 O ATOM 1133 CB ARG A 78 5.502 -8.890 -12.652 1.00 0.00 C ATOM 1134 CG ARG A 78 6.502 -7.989 -13.359 1.00 0.00 C ATOM 1135 CD ARG A 78 5.976 -6.568 -13.489 1.00 0.00 C ATOM 1136 NE ARG A 78 6.585 -5.859 -14.611 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.386 -6.187 -15.883 1.00 0.00 C ATOM 1138 NH1 ARG A 78 5.597 -7.207 -16.192 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.976 -5.494 -16.848 1.00 0.00 N ATOM 0 H ARG A 78 4.118 -10.647 -11.615 1.00 0.00 H new ATOM 0 HA ARG A 78 6.447 -10.739 -13.203 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.626 -9.016 -13.288 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.165 -8.399 -11.739 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.441 -7.981 -12.806 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.718 -8.390 -14.349 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.894 -6.593 -13.620 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.173 -6.023 -12.566 1.00 0.00 H new ATOM 0 HE ARG A 78 7.197 -5.069 -14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.141 -7.742 -15.452 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.446 -7.457 -17.169 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.583 -4.709 -16.614 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.823 -5.747 -17.824 1.00 0.00 H new ATOM 1153 N TYR A 79 6.866 -9.938 -10.033 1.00 0.00 N ATOM 1154 CA TYR A 79 7.866 -9.781 -8.984 1.00 0.00 C ATOM 1155 C TYR A 79 7.970 -11.046 -8.137 1.00 0.00 C ATOM 1156 O TYR A 79 8.967 -11.266 -7.450 1.00 0.00 O ATOM 1157 CB TYR A 79 7.521 -8.585 -8.096 1.00 0.00 C ATOM 1158 CG TYR A 79 7.214 -7.324 -8.870 1.00 0.00 C ATOM 1159 CD1 TYR A 79 5.965 -7.124 -9.445 1.00 0.00 C ATOM 1160 CD2 TYR A 79 8.173 -6.330 -9.027 1.00 0.00 C ATOM 1161 CE1 TYR A 79 5.680 -5.974 -10.154 1.00 0.00 C ATOM 1162 CE2 TYR A 79 7.897 -5.176 -9.734 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.649 -5.002 -10.295 1.00 0.00 C ATOM 1164 OH TYR A 79 6.369 -3.854 -11.000 1.00 0.00 O ATOM 0 H TYR A 79 5.901 -9.893 -9.706 1.00 0.00 H new ATOM 0 HA TYR A 79 8.831 -9.604 -9.460 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.661 -8.839 -7.477 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.354 -8.393 -7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.203 -7.882 -9.335 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.151 -6.462 -8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.704 -5.836 -10.596 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.654 -4.414 -9.847 1.00 0.00 H new ATOM 0 HH TYR A 79 7.158 -3.272 -11.004 1.00 0.00 H new ATOM 1174 N GLY A 80 6.932 -11.874 -8.193 1.00 0.00 N ATOM 1175 CA GLY A 80 6.925 -13.107 -7.427 1.00 0.00 C ATOM 1176 C GLY A 80 6.458 -12.901 -6.000 1.00 0.00 C ATOM 1177 O GLY A 80 7.067 -13.413 -5.060 1.00 0.00 O ATOM 0 H GLY A 80 6.096 -11.713 -8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.275 -13.832 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.929 -13.532 -7.420 1.00 0.00 H new ATOM 1181 N ILE A 81 5.375 -12.148 -5.837 1.00 0.00 N ATOM 1182 CA ILE A 81 4.827 -11.875 -4.514 1.00 0.00 C ATOM 1183 C ILE A 81 4.085 -13.089 -3.965 1.00 0.00 C ATOM 1184 O ILE A 81 2.940 -13.349 -4.334 1.00 0.00 O ATOM 1185 CB ILE A 81 3.868 -10.670 -4.540 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.554 -9.458 -5.173 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.393 -10.341 -3.132 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.676 -8.891 -4.332 1.00 0.00 C ATOM 0 H ILE A 81 4.860 -11.716 -6.604 1.00 0.00 H new ATOM 0 HA ILE A 81 5.671 -11.644 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 81 2.999 -10.929 -5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.950 -9.743 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.811 -8.679 -5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.716 -9.487 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.871 -11.202 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.252 -10.098 -2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.116 -8.034 -4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.283 -8.575 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.439 -9.655 -4.181 1.00 0.00 H new ATOM 1200 N ARG A 82 4.745 -13.829 -3.080 1.00 0.00 N ATOM 1201 CA ARG A 82 4.149 -15.015 -2.479 1.00 0.00 C ATOM 1202 C ARG A 82 4.223 -14.949 -0.956 1.00 0.00 C ATOM 1203 O ARG A 82 3.394 -15.532 -0.259 1.00 0.00 O ATOM 1204 CB ARG A 82 4.854 -16.277 -2.980 1.00 0.00 C ATOM 1205 CG ARG A 82 4.562 -16.600 -4.436 1.00 0.00 C ATOM 1206 CD ARG A 82 5.718 -17.346 -5.084 1.00 0.00 C ATOM 1207 NE ARG A 82 5.267 -18.234 -6.152 1.00 0.00 N ATOM 1208 CZ ARG A 82 6.087 -18.987 -6.877 1.00 0.00 C ATOM 1209 NH1 ARG A 82 7.393 -18.960 -6.649 1.00 0.00 N ATOM 1210 NH2 ARG A 82 5.600 -19.770 -7.831 1.00 0.00 N ATOM 0 H ARG A 82 5.693 -13.627 -2.763 1.00 0.00 H new ATOM 0 HA ARG A 82 3.100 -15.052 -2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.930 -16.157 -2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.551 -17.122 -2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.656 -17.203 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.371 -15.677 -4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.432 -16.628 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.244 -17.928 -4.327 1.00 0.00 H new ATOM 0 HE ARG A 82 4.268 -18.279 -6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.770 -18.360 -5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.020 -19.539 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.596 -19.794 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.230 -20.348 -8.387 1.00 0.00 H new ATOM 1224 N GLY A 83 5.222 -14.234 -0.448 1.00 0.00 N ATOM 1225 CA GLY A 83 5.386 -14.106 0.988 1.00 0.00 C ATOM 1226 C GLY A 83 4.781 -12.825 1.529 1.00 0.00 C ATOM 1227 O GLY A 83 5.421 -11.774 1.515 1.00 0.00 O ATOM 0 H GLY A 83 5.920 -13.741 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.922 -14.960 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.448 -14.135 1.233 1.00 0.00 H new ATOM 1231 N PHE A 84 3.544 -12.912 2.005 1.00 0.00 N ATOM 1232 CA PHE A 84 2.851 -11.751 2.550 1.00 0.00 C ATOM 1233 C PHE A 84 2.960 -11.717 4.072 1.00 0.00 C ATOM 1234 O PHE A 84 3.124 -12.744 4.731 1.00 0.00 O ATOM 1235 CB PHE A 84 1.379 -11.766 2.133 1.00 0.00 C ATOM 1236 CG PHE A 84 1.135 -12.453 0.820 1.00 0.00 C ATOM 1237 CD1 PHE A 84 1.932 -12.177 -0.280 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.109 -13.374 0.684 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.710 -12.806 -1.490 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.118 -14.007 -0.523 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.684 -13.723 -1.611 1.00 0.00 C ATOM 0 H PHE A 84 3.000 -13.775 2.024 1.00 0.00 H new ATOM 0 HA PHE A 84 3.326 -10.855 2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.795 -12.263 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.017 -10.740 2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.736 -11.462 -0.190 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.521 -13.600 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.338 -12.581 -2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.921 -14.723 -0.616 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.509 -14.217 -2.555 1.00 0.00 H new ATOM 1251 N PRO A 85 2.867 -10.507 4.644 1.00 0.00 N ATOM 1252 CA PRO A 85 2.672 -9.278 3.870 1.00 0.00 C ATOM 1253 C PRO A 85 3.905 -8.905 3.054 1.00 0.00 C ATOM 1254 O PRO A 85 5.028 -9.269 3.404 1.00 0.00 O ATOM 1255 CB PRO A 85 2.402 -8.222 4.945 1.00 0.00 C ATOM 1256 CG PRO A 85 3.063 -8.750 6.170 1.00 0.00 C ATOM 1257 CD PRO A 85 2.946 -10.247 6.092 1.00 0.00 C ATOM 0 HA PRO A 85 1.869 -9.379 3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.813 -7.253 4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.333 -8.081 5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.108 -8.442 6.213 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.581 -8.367 7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.806 -10.742 6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.060 -10.609 6.614 1.00 0.00 H new ATOM 1265 N THR A 86 3.688 -8.176 1.963 1.00 0.00 N ATOM 1266 CA THR A 86 4.782 -7.754 1.097 1.00 0.00 C ATOM 1267 C THR A 86 4.662 -6.277 0.741 1.00 0.00 C ATOM 1268 O THR A 86 3.677 -5.852 0.136 1.00 0.00 O ATOM 1269 CB THR A 86 4.821 -8.582 -0.201 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.397 -9.925 0.061 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.222 -8.594 -0.794 1.00 0.00 C ATOM 0 H THR A 86 2.765 -7.866 1.659 1.00 0.00 H new ATOM 0 HA THR A 86 5.706 -7.917 1.651 1.00 0.00 H new ATOM 0 HB THR A 86 4.143 -8.121 -0.920 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.978 -10.325 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.224 -9.185 -1.710 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.530 -7.573 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.917 -9.032 -0.078 1.00 0.00 H new ATOM 1279 N ILE A 87 5.671 -5.499 1.118 1.00 0.00 N ATOM 1280 CA ILE A 87 5.679 -4.069 0.836 1.00 0.00 C ATOM 1281 C ILE A 87 6.777 -3.711 -0.159 1.00 0.00 C ATOM 1282 O ILE A 87 7.945 -4.047 0.040 1.00 0.00 O ATOM 1283 CB ILE A 87 5.877 -3.243 2.121 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.785 -3.574 3.140 1.00 0.00 C ATOM 1285 CG2 ILE A 87 5.877 -1.756 1.800 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.228 -3.408 4.577 1.00 0.00 C ATOM 0 H ILE A 87 6.493 -5.835 1.619 1.00 0.00 H new ATOM 0 HA ILE A 87 4.708 -3.827 0.404 1.00 0.00 H new ATOM 0 HB ILE A 87 6.843 -3.501 2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.923 -2.932 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.456 -4.602 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.018 -1.186 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.688 -1.533 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.925 -1.482 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.403 -3.660 5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.071 -4.070 4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.530 -2.375 4.748 1.00 0.00 H new ATOM 1298 N LYS A 88 6.395 -3.025 -1.231 1.00 0.00 N ATOM 1299 CA LYS A 88 7.347 -2.618 -2.258 1.00 0.00 C ATOM 1300 C LYS A 88 7.128 -1.161 -2.655 1.00 0.00 C ATOM 1301 O LYS A 88 5.991 -0.696 -2.741 1.00 0.00 O ATOM 1302 CB LYS A 88 7.217 -3.517 -3.489 1.00 0.00 C ATOM 1303 CG LYS A 88 7.408 -4.994 -3.186 1.00 0.00 C ATOM 1304 CD LYS A 88 8.864 -5.406 -3.319 1.00 0.00 C ATOM 1305 CE LYS A 88 9.043 -6.899 -3.088 1.00 0.00 C ATOM 1306 NZ LYS A 88 9.226 -7.219 -1.645 1.00 0.00 N ATOM 0 H LYS A 88 5.433 -2.739 -1.411 1.00 0.00 H new ATOM 0 HA LYS A 88 8.352 -2.718 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.233 -3.370 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.952 -3.209 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.059 -5.207 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.797 -5.588 -3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.228 -5.144 -4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.468 -4.851 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.173 -7.433 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.907 -7.253 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.108 -8.242 -1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.180 -6.934 -1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.518 -6.705 -1.083 1.00 0.00 H new ATOM 1320 N ILE A 89 8.223 -0.448 -2.897 1.00 0.00 N ATOM 1321 CA ILE A 89 8.150 0.955 -3.287 1.00 0.00 C ATOM 1322 C ILE A 89 8.448 1.128 -4.772 1.00 0.00 C ATOM 1323 O ILE A 89 9.347 0.486 -5.315 1.00 0.00 O ATOM 1324 CB ILE A 89 9.132 1.818 -2.473 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.804 1.733 -0.981 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.089 3.262 -2.950 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.051 0.365 -0.385 1.00 0.00 C ATOM 0 H ILE A 89 9.171 -0.819 -2.830 1.00 0.00 H new ATOM 0 HA ILE A 89 7.132 1.287 -3.082 1.00 0.00 H new ATOM 0 HB ILE A 89 10.141 1.436 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.403 2.468 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.758 2.002 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.788 3.859 -2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.367 3.306 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.081 3.657 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.797 0.379 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.432 -0.372 -0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.102 0.101 -0.503 1.00 0.00 H new ATOM 1339 N PHE A 90 7.689 2.003 -5.424 1.00 0.00 N ATOM 1340 CA PHE A 90 7.872 2.262 -6.848 1.00 0.00 C ATOM 1341 C PHE A 90 7.988 3.760 -7.117 1.00 0.00 C ATOM 1342 O PHE A 90 7.159 4.548 -6.664 1.00 0.00 O ATOM 1343 CB PHE A 90 6.707 1.678 -7.648 1.00 0.00 C ATOM 1344 CG PHE A 90 6.512 0.204 -7.435 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.958 -0.272 -6.257 1.00 0.00 C ATOM 1346 CD2 PHE A 90 6.883 -0.706 -8.411 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.777 -1.627 -6.057 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.705 -2.063 -8.217 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.152 -2.524 -7.039 1.00 0.00 C ATOM 0 H PHE A 90 6.942 2.544 -4.989 1.00 0.00 H new ATOM 0 HA PHE A 90 8.798 1.781 -7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.791 2.201 -7.374 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.876 1.864 -8.709 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.664 0.425 -5.486 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.316 -0.351 -9.334 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.343 -1.985 -5.135 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.998 -2.762 -8.986 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.013 -3.584 -6.885 1.00 0.00 H new ATOM 1359 N GLN A 91 9.024 4.143 -7.856 1.00 0.00 N ATOM 1360 CA GLN A 91 9.250 5.546 -8.184 1.00 0.00 C ATOM 1361 C GLN A 91 9.518 5.720 -9.675 1.00 0.00 C ATOM 1362 O GLN A 91 10.312 4.986 -10.264 1.00 0.00 O ATOM 1363 CB GLN A 91 10.425 6.098 -7.375 1.00 0.00 C ATOM 1364 CG GLN A 91 10.231 5.992 -5.871 1.00 0.00 C ATOM 1365 CD GLN A 91 10.770 4.694 -5.303 1.00 0.00 C ATOM 1366 OE1 GLN A 91 10.403 3.607 -5.751 1.00 0.00 O ATOM 1367 NE2 GLN A 91 11.647 4.800 -4.312 1.00 0.00 N ATOM 0 H GLN A 91 9.720 3.502 -8.239 1.00 0.00 H new ATOM 0 HA GLN A 91 8.348 6.103 -7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.332 5.562 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.579 7.144 -7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.728 6.831 -5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.169 6.072 -5.639 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.923 5.721 -3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.045 3.960 -3.891 1.00 0.00 H new ATOM 1376 N LYS A 92 8.851 6.696 -10.282 1.00 0.00 N ATOM 1377 CA LYS A 92 9.016 6.967 -11.705 1.00 0.00 C ATOM 1378 C LYS A 92 10.459 7.350 -12.021 1.00 0.00 C ATOM 1379 O LYS A 92 11.121 8.022 -11.231 1.00 0.00 O ATOM 1380 CB LYS A 92 8.072 8.089 -12.144 1.00 0.00 C ATOM 1381 CG LYS A 92 7.928 8.207 -13.651 1.00 0.00 C ATOM 1382 CD LYS A 92 6.829 9.184 -14.032 1.00 0.00 C ATOM 1383 CE LYS A 92 6.132 8.766 -15.317 1.00 0.00 C ATOM 1384 NZ LYS A 92 5.595 9.937 -16.064 1.00 0.00 N ATOM 0 H LYS A 92 8.190 7.313 -9.810 1.00 0.00 H new ATOM 0 HA LYS A 92 8.770 6.058 -12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.089 7.918 -11.706 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.437 9.036 -11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.873 8.535 -14.083 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.707 7.227 -14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.099 9.245 -13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.253 10.181 -14.155 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.833 8.222 -15.950 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.318 8.081 -15.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.128 9.610 -16.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.907 10.442 -15.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.375 10.579 -16.311 1.00 0.00 H new ATOM 1398 N GLY A 93 10.939 6.919 -13.183 1.00 0.00 N ATOM 1399 CA GLY A 93 12.300 7.228 -13.584 1.00 0.00 C ATOM 1400 C GLY A 93 13.292 6.180 -13.121 1.00 0.00 C ATOM 1401 O GLY A 93 14.194 5.799 -13.866 1.00 0.00 O ATOM 0 H GLY A 93 10.411 6.362 -13.854 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.345 7.312 -14.670 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.584 8.198 -13.177 1.00 0.00 H new ATOM 1405 N GLU A 94 13.126 5.713 -11.887 1.00 0.00 N ATOM 1406 CA GLU A 94 14.018 4.705 -11.326 1.00 0.00 C ATOM 1407 C GLU A 94 13.259 3.416 -11.024 1.00 0.00 C ATOM 1408 O GLU A 94 12.030 3.409 -10.951 1.00 0.00 O ATOM 1409 CB GLU A 94 14.681 5.230 -10.051 1.00 0.00 C ATOM 1410 CG GLU A 94 15.583 6.430 -10.285 1.00 0.00 C ATOM 1411 CD GLU A 94 16.765 6.107 -11.177 1.00 0.00 C ATOM 1412 OE1 GLU A 94 17.786 5.614 -10.652 1.00 0.00 O ATOM 1413 OE2 GLU A 94 16.671 6.346 -12.398 1.00 0.00 O ATOM 0 H GLU A 94 12.383 6.016 -11.258 1.00 0.00 H new ATOM 0 HA GLU A 94 14.790 4.488 -12.065 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.906 5.502 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.266 4.429 -9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.002 7.234 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.947 6.799 -9.326 1.00 0.00 H new ATOM 1420 N SER A 95 14.000 2.326 -10.850 1.00 0.00 N ATOM 1421 CA SER A 95 13.398 1.030 -10.560 1.00 0.00 C ATOM 1422 C SER A 95 12.911 0.968 -9.115 1.00 0.00 C ATOM 1423 O SER A 95 13.427 1.651 -8.230 1.00 0.00 O ATOM 1424 CB SER A 95 14.404 -0.093 -10.820 1.00 0.00 C ATOM 1425 OG SER A 95 15.309 -0.227 -9.738 1.00 0.00 O ATOM 0 H SER A 95 15.018 2.315 -10.905 1.00 0.00 H new ATOM 0 HA SER A 95 12.540 0.900 -11.220 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.873 -1.033 -10.973 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.956 0.114 -11.737 1.00 0.00 H new ATOM 0 HG SER A 95 15.940 -0.952 -9.928 1.00 0.00 H new ATOM 1431 N PRO A 96 11.894 0.130 -8.870 1.00 0.00 N ATOM 1432 CA PRO A 96 11.315 -0.043 -7.534 1.00 0.00 C ATOM 1433 C PRO A 96 12.263 -0.759 -6.579 1.00 0.00 C ATOM 1434 O PRO A 96 13.227 -1.396 -7.006 1.00 0.00 O ATOM 1435 CB PRO A 96 10.072 -0.898 -7.795 1.00 0.00 C ATOM 1436 CG PRO A 96 10.377 -1.638 -9.051 1.00 0.00 C ATOM 1437 CD PRO A 96 11.231 -0.715 -9.877 1.00 0.00 C ATOM 0 HA PRO A 96 11.100 0.913 -7.056 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.882 -1.583 -6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.182 -0.279 -7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.902 -2.569 -8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.462 -1.902 -9.581 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.954 -1.267 -10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.631 -0.122 -10.567 1.00 0.00 H new ATOM 1445 N VAL A 97 11.985 -0.650 -5.284 1.00 0.00 N ATOM 1446 CA VAL A 97 12.813 -1.289 -4.268 1.00 0.00 C ATOM 1447 C VAL A 97 11.969 -2.142 -3.327 1.00 0.00 C ATOM 1448 O VAL A 97 10.760 -2.279 -3.514 1.00 0.00 O ATOM 1449 CB VAL A 97 13.589 -0.247 -3.441 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.853 0.182 -4.172 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.708 0.954 -3.134 1.00 0.00 C ATOM 0 H VAL A 97 11.193 -0.125 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 97 13.523 -1.928 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 97 13.882 -0.705 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.388 0.918 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.492 -0.686 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.586 0.622 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.273 1.680 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.382 1.414 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.836 0.630 -2.566 1.00 0.00 H new ATOM 1461 N ASP A 98 12.614 -2.712 -2.316 1.00 0.00 N ATOM 1462 CA ASP A 98 11.923 -3.551 -1.344 1.00 0.00 C ATOM 1463 C ASP A 98 11.923 -2.899 0.035 1.00 0.00 C ATOM 1464 O ASP A 98 12.980 -2.673 0.625 1.00 0.00 O ATOM 1465 CB ASP A 98 12.580 -4.930 -1.270 1.00 0.00 C ATOM 1466 CG ASP A 98 13.882 -4.910 -0.493 1.00 0.00 C ATOM 1467 OD1 ASP A 98 14.712 -4.014 -0.751 1.00 0.00 O ATOM 1468 OD2 ASP A 98 14.071 -5.791 0.372 1.00 0.00 O ATOM 0 H ASP A 98 13.615 -2.609 -2.148 1.00 0.00 H new ATOM 0 HA ASP A 98 10.890 -3.667 -1.671 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.891 -5.633 -0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.768 -5.294 -2.280 1.00 0.00 H new ATOM 1473 N TYR A 99 10.733 -2.598 0.542 1.00 0.00 N ATOM 1474 CA TYR A 99 10.596 -1.968 1.850 1.00 0.00 C ATOM 1475 C TYR A 99 11.441 -2.692 2.894 1.00 0.00 C ATOM 1476 O TYR A 99 11.725 -3.882 2.762 1.00 0.00 O ATOM 1477 CB TYR A 99 9.129 -1.956 2.282 1.00 0.00 C ATOM 1478 CG TYR A 99 8.913 -1.409 3.675 1.00 0.00 C ATOM 1479 CD1 TYR A 99 9.138 -0.067 3.958 1.00 0.00 C ATOM 1480 CD2 TYR A 99 8.485 -2.233 4.709 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.943 0.438 5.229 1.00 0.00 C ATOM 1482 CE2 TYR A 99 8.286 -1.737 5.982 1.00 0.00 C ATOM 1483 CZ TYR A 99 8.516 -0.401 6.238 1.00 0.00 C ATOM 1484 OH TYR A 99 8.320 0.097 7.505 1.00 0.00 O ATOM 0 H TYR A 99 9.849 -2.780 0.067 1.00 0.00 H new ATOM 0 HA TYR A 99 10.952 -0.941 1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.555 -1.359 1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.737 -2.972 2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.471 0.593 3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.305 -3.280 4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.124 1.483 5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.952 -2.392 6.773 1.00 0.00 H new ATOM 0 HH TYR A 99 7.454 -0.209 7.846 1.00 0.00 H new ATOM 1494 N ASP A 100 11.837 -1.964 3.932 1.00 0.00 N ATOM 1495 CA ASP A 100 12.648 -2.535 5.001 1.00 0.00 C ATOM 1496 C ASP A 100 12.003 -3.803 5.554 1.00 0.00 C ATOM 1497 O ASP A 100 12.531 -4.902 5.390 1.00 0.00 O ATOM 1498 CB ASP A 100 12.841 -1.515 6.125 1.00 0.00 C ATOM 1499 CG ASP A 100 14.089 -1.783 6.942 1.00 0.00 C ATOM 1500 OD1 ASP A 100 15.168 -1.960 6.337 1.00 0.00 O ATOM 1501 OD2 ASP A 100 13.988 -1.816 8.186 1.00 0.00 O ATOM 0 H ASP A 100 11.610 -0.977 4.056 1.00 0.00 H new ATOM 0 HA ASP A 100 13.622 -2.795 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.898 -0.514 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.970 -1.532 6.781 1.00 0.00 H new ATOM 1506 N GLY A 101 10.858 -3.641 6.211 1.00 0.00 N ATOM 1507 CA GLY A 101 10.161 -4.780 6.778 1.00 0.00 C ATOM 1508 C GLY A 101 9.184 -4.379 7.865 1.00 0.00 C ATOM 1509 O GLY A 101 8.309 -5.157 8.241 1.00 0.00 O ATOM 0 H GLY A 101 10.401 -2.741 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.625 -5.304 5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.889 -5.480 7.188 1.00 0.00 H new ATOM 1513 N GLY A 102 9.334 -3.159 8.374 1.00 0.00 N ATOM 1514 CA GLY A 102 8.452 -2.678 9.421 1.00 0.00 C ATOM 1515 C GLY A 102 7.013 -2.563 8.959 1.00 0.00 C ATOM 1516 O GLY A 102 6.631 -1.572 8.336 1.00 0.00 O ATOM 0 H GLY A 102 10.051 -2.496 8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.503 -3.354 10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.799 -1.704 9.765 1.00 0.00 H new ATOM 1520 N ARG A 103 6.213 -3.580 9.262 1.00 0.00 N ATOM 1521 CA ARG A 103 4.808 -3.590 8.871 1.00 0.00 C ATOM 1522 C ARG A 103 3.959 -2.813 9.873 1.00 0.00 C ATOM 1523 O ARG A 103 2.826 -3.192 10.170 1.00 0.00 O ATOM 1524 CB ARG A 103 4.297 -5.028 8.761 1.00 0.00 C ATOM 1525 CG ARG A 103 4.340 -5.791 10.074 1.00 0.00 C ATOM 1526 CD ARG A 103 3.690 -7.160 9.944 1.00 0.00 C ATOM 1527 NE ARG A 103 3.791 -7.934 11.179 1.00 0.00 N ATOM 1528 CZ ARG A 103 3.729 -9.260 11.222 1.00 0.00 C ATOM 1529 NH1 ARG A 103 3.569 -9.956 10.105 1.00 0.00 N ATOM 1530 NH2 ARG A 103 3.829 -9.892 12.384 1.00 0.00 N ATOM 0 H ARG A 103 6.513 -4.408 9.777 1.00 0.00 H new ATOM 0 HA ARG A 103 4.725 -3.106 7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.271 -5.013 8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.894 -5.561 8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.375 -5.907 10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 103 3.830 -5.216 10.847 1.00 0.00 H new ATOM 0 HD2 ARG A 103 2.640 -7.039 9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.164 -7.711 9.131 1.00 0.00 H new ATOM 0 HE ARG A 103 3.916 -7.428 12.056 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.493 -9.473 9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.522 -10.974 10.141 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.954 -9.360 13.245 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.781 -10.910 12.416 1.00 0.00 H new ATOM 1544 N THR A 104 4.515 -1.722 10.391 1.00 0.00 N ATOM 1545 CA THR A 104 3.811 -0.892 11.361 1.00 0.00 C ATOM 1546 C THR A 104 3.740 0.557 10.895 1.00 0.00 C ATOM 1547 O THR A 104 4.745 1.138 10.485 1.00 0.00 O ATOM 1548 CB THR A 104 4.491 -0.943 12.742 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.882 -0.631 12.615 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.330 -2.317 13.375 1.00 0.00 C ATOM 0 H THR A 104 5.451 -1.393 10.155 1.00 0.00 H new ATOM 0 HA THR A 104 2.801 -1.293 11.447 1.00 0.00 H new ATOM 0 HB THR A 104 4.011 -0.206 13.386 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.060 0.241 13.024 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.818 -2.328 14.349 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.270 -2.539 13.498 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.786 -3.070 12.732 1.00 0.00 H new ATOM 1558 N ARG A 105 2.546 1.137 10.961 1.00 0.00 N ATOM 1559 CA ARG A 105 2.344 2.520 10.545 1.00 0.00 C ATOM 1560 C ARG A 105 3.548 3.380 10.915 1.00 0.00 C ATOM 1561 O ARG A 105 3.924 4.290 10.176 1.00 0.00 O ATOM 1562 CB ARG A 105 1.079 3.089 11.190 1.00 0.00 C ATOM 1563 CG ARG A 105 1.323 3.731 12.546 1.00 0.00 C ATOM 1564 CD ARG A 105 0.018 4.000 13.278 1.00 0.00 C ATOM 1565 NE ARG A 105 0.241 4.577 14.601 1.00 0.00 N ATOM 1566 CZ ARG A 105 -0.700 4.661 15.535 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -1.922 4.207 15.292 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.419 5.200 16.715 1.00 0.00 N ATOM 0 H ARG A 105 1.704 0.671 11.299 1.00 0.00 H new ATOM 0 HA ARG A 105 2.229 2.534 9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.641 3.829 10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.347 2.289 11.303 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.953 3.078 13.151 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.867 4.666 12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.597 4.678 12.686 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.540 3.069 13.378 1.00 0.00 H new ATOM 0 HE ARG A 105 1.171 4.935 14.820 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.141 3.792 14.386 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.643 4.273 16.011 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.520 5.550 16.905 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.142 5.264 17.432 1.00 0.00 H new ATOM 1582 N SER A 106 4.149 3.086 12.063 1.00 0.00 N ATOM 1583 CA SER A 106 5.308 3.835 12.533 1.00 0.00 C ATOM 1584 C SER A 106 6.479 3.688 11.567 1.00 0.00 C ATOM 1585 O SER A 106 7.069 4.677 11.133 1.00 0.00 O ATOM 1586 CB SER A 106 5.720 3.357 13.927 1.00 0.00 C ATOM 1587 OG SER A 106 6.022 1.973 13.923 1.00 0.00 O ATOM 0 H SER A 106 3.852 2.334 12.685 1.00 0.00 H new ATOM 0 HA SER A 106 5.032 4.888 12.584 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.589 3.921 14.266 1.00 0.00 H new ATOM 0 HB3 SER A 106 4.915 3.555 14.635 1.00 0.00 H new ATOM 0 HG SER A 106 6.950 1.841 13.635 1.00 0.00 H new ATOM 1593 N ASP A 107 6.810 2.445 11.233 1.00 0.00 N ATOM 1594 CA ASP A 107 7.909 2.166 10.317 1.00 0.00 C ATOM 1595 C ASP A 107 7.520 2.505 8.882 1.00 0.00 C ATOM 1596 O ASP A 107 8.226 3.244 8.195 1.00 0.00 O ATOM 1597 CB ASP A 107 8.321 0.696 10.413 1.00 0.00 C ATOM 1598 CG ASP A 107 8.827 0.325 11.794 1.00 0.00 C ATOM 1599 OD1 ASP A 107 8.449 1.010 12.768 1.00 0.00 O ATOM 1600 OD2 ASP A 107 9.599 -0.650 11.900 1.00 0.00 O ATOM 0 H ASP A 107 6.332 1.615 11.583 1.00 0.00 H new ATOM 0 HA ASP A 107 8.755 2.792 10.603 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.469 0.066 10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.099 0.491 9.677 1.00 0.00 H new ATOM 1605 N ILE A 108 6.394 1.960 8.435 1.00 0.00 N ATOM 1606 CA ILE A 108 5.911 2.205 7.082 1.00 0.00 C ATOM 1607 C ILE A 108 5.981 3.688 6.734 1.00 0.00 C ATOM 1608 O ILE A 108 6.483 4.065 5.675 1.00 0.00 O ATOM 1609 CB ILE A 108 4.462 1.715 6.903 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.373 0.211 7.170 1.00 0.00 C ATOM 1611 CG2 ILE A 108 3.961 2.041 5.504 1.00 0.00 C ATOM 1612 CD1 ILE A 108 2.984 -0.255 7.549 1.00 0.00 C ATOM 0 H ILE A 108 5.799 1.345 8.990 1.00 0.00 H new ATOM 0 HA ILE A 108 6.560 1.645 6.409 1.00 0.00 H new ATOM 0 HB ILE A 108 3.828 2.231 7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.698 -0.328 6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.066 -0.049 7.970 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.936 1.688 5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.993 3.119 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.595 1.549 4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.996 -1.331 7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.664 0.256 8.457 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.290 -0.026 6.740 1.00 0.00 H new ATOM 1624 N VAL A 109 5.475 4.526 7.633 1.00 0.00 N ATOM 1625 CA VAL A 109 5.482 5.969 7.423 1.00 0.00 C ATOM 1626 C VAL A 109 6.894 6.532 7.529 1.00 0.00 C ATOM 1627 O VAL A 109 7.317 7.336 6.697 1.00 0.00 O ATOM 1628 CB VAL A 109 4.576 6.688 8.440 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.708 8.197 8.299 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.129 6.253 8.265 1.00 0.00 C ATOM 0 H VAL A 109 5.055 4.230 8.514 1.00 0.00 H new ATOM 0 HA VAL A 109 5.098 6.145 6.418 1.00 0.00 H new ATOM 0 HB VAL A 109 4.896 6.411 9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.061 8.688 9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.742 8.490 8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.415 8.495 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.503 6.771 8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.794 6.499 7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.051 5.177 8.421 1.00 0.00 H new ATOM 1640 N SER A 110 7.620 6.106 8.557 1.00 0.00 N ATOM 1641 CA SER A 110 8.985 6.571 8.774 1.00 0.00 C ATOM 1642 C SER A 110 9.820 6.416 7.507 1.00 0.00 C ATOM 1643 O SER A 110 10.738 7.197 7.256 1.00 0.00 O ATOM 1644 CB SER A 110 9.634 5.796 9.923 1.00 0.00 C ATOM 1645 OG SER A 110 11.035 6.007 9.954 1.00 0.00 O ATOM 0 H SER A 110 7.286 5.439 9.253 1.00 0.00 H new ATOM 0 HA SER A 110 8.945 7.629 9.035 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.195 6.109 10.870 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.426 4.732 9.811 1.00 0.00 H new ATOM 0 HG SER A 110 11.425 5.502 10.698 1.00 0.00 H new ATOM 1651 N ARG A 111 9.494 5.403 6.711 1.00 0.00 N ATOM 1652 CA ARG A 111 10.213 5.144 5.469 1.00 0.00 C ATOM 1653 C ARG A 111 9.752 6.093 4.366 1.00 0.00 C ATOM 1654 O ARG A 111 10.561 6.796 3.761 1.00 0.00 O ATOM 1655 CB ARG A 111 10.008 3.694 5.029 1.00 0.00 C ATOM 1656 CG ARG A 111 10.614 3.378 3.671 1.00 0.00 C ATOM 1657 CD ARG A 111 12.128 3.267 3.749 1.00 0.00 C ATOM 1658 NE ARG A 111 12.673 2.441 2.675 1.00 0.00 N ATOM 1659 CZ ARG A 111 12.772 2.847 1.414 1.00 0.00 C ATOM 1660 NH1 ARG A 111 12.365 4.062 1.071 1.00 0.00 N ATOM 1661 NH2 ARG A 111 13.278 2.038 0.493 1.00 0.00 N ATOM 0 H ARG A 111 8.736 4.748 6.904 1.00 0.00 H new ATOM 0 HA ARG A 111 11.274 5.314 5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.445 3.031 5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.940 3.480 4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.198 2.443 3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.341 4.157 2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.567 4.263 3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.411 2.842 4.712 1.00 0.00 H new ATOM 0 HE ARG A 111 12.995 1.501 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.975 4.687 1.776 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.442 4.371 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.592 1.103 0.752 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.353 2.351 -0.475 1.00 0.00 H new ATOM 1675 N ALA A 112 8.448 6.105 4.111 1.00 0.00 N ATOM 1676 CA ALA A 112 7.880 6.968 3.082 1.00 0.00 C ATOM 1677 C ALA A 112 8.520 8.351 3.110 1.00 0.00 C ATOM 1678 O ALA A 112 8.697 8.986 2.070 1.00 0.00 O ATOM 1679 CB ALA A 112 6.372 7.077 3.259 1.00 0.00 C ATOM 0 H ALA A 112 7.765 5.528 4.602 1.00 0.00 H new ATOM 0 HA ALA A 112 8.089 6.520 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.961 7.724 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.924 6.087 3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.150 7.499 4.239 1.00 0.00 H new ATOM 1685 N LEU A 113 8.864 8.815 4.307 1.00 0.00 N ATOM 1686 CA LEU A 113 9.484 10.125 4.471 1.00 0.00 C ATOM 1687 C LEU A 113 10.900 10.131 3.904 1.00 0.00 C ATOM 1688 O LEU A 113 11.331 11.110 3.295 1.00 0.00 O ATOM 1689 CB LEU A 113 9.512 10.516 5.949 1.00 0.00 C ATOM 1690 CG LEU A 113 8.172 10.929 6.560 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.304 11.110 8.064 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.660 12.206 5.910 1.00 0.00 C ATOM 0 H LEU A 113 8.724 8.303 5.178 1.00 0.00 H new ATOM 0 HA LEU A 113 8.889 10.854 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.905 9.674 6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.214 11.340 6.073 1.00 0.00 H new ATOM 0 HG LEU A 113 7.449 10.135 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.341 11.404 8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.624 10.172 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.042 11.885 8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.706 12.485 6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.382 13.008 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.525 12.041 4.841 1.00 0.00 H new ATOM 1704 N ASP A 114 11.618 9.032 4.108 1.00 0.00 N ATOM 1705 CA ASP A 114 12.985 8.910 3.614 1.00 0.00 C ATOM 1706 C ASP A 114 13.058 9.243 2.128 1.00 0.00 C ATOM 1707 O ASP A 114 14.090 9.700 1.633 1.00 0.00 O ATOM 1708 CB ASP A 114 13.513 7.495 3.859 1.00 0.00 C ATOM 1709 CG ASP A 114 15.018 7.403 3.697 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.566 8.116 2.830 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.648 6.617 4.435 1.00 0.00 O ATOM 0 H ASP A 114 11.277 8.213 4.612 1.00 0.00 H new ATOM 0 HA ASP A 114 13.607 9.621 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.239 7.177 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.033 6.806 3.164 1.00 0.00 H new ATOM 1716 N LEU A 115 11.958 9.012 1.420 1.00 0.00 N ATOM 1717 CA LEU A 115 11.897 9.287 -0.011 1.00 0.00 C ATOM 1718 C LEU A 115 11.284 10.659 -0.277 1.00 0.00 C ATOM 1719 O LEU A 115 11.754 11.405 -1.136 1.00 0.00 O ATOM 1720 CB LEU A 115 11.084 8.206 -0.725 1.00 0.00 C ATOM 1721 CG LEU A 115 11.462 6.760 -0.402 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.289 5.829 -0.668 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.678 6.333 -1.212 1.00 0.00 C ATOM 0 H LEU A 115 11.096 8.635 1.814 1.00 0.00 H new ATOM 0 HA LEU A 115 12.915 9.283 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.032 8.349 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.184 8.355 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 115 11.715 6.699 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.577 4.804 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.444 6.121 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.004 5.893 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.933 5.301 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.452 6.410 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.521 6.981 -0.972 1.00 0.00 H new ATOM 1735 N PHE A 116 10.233 10.985 0.468 1.00 0.00 N ATOM 1736 CA PHE A 116 9.556 12.267 0.314 1.00 0.00 C ATOM 1737 C PHE A 116 10.535 13.424 0.492 1.00 0.00 C ATOM 1738 O PHE A 116 10.389 14.476 -0.130 1.00 0.00 O ATOM 1739 CB PHE A 116 8.415 12.390 1.326 1.00 0.00 C ATOM 1740 CG PHE A 116 7.966 13.805 1.554 1.00 0.00 C ATOM 1741 CD1 PHE A 116 7.053 14.403 0.700 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.456 14.537 2.624 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.639 15.705 0.908 1.00 0.00 C ATOM 1744 CE2 PHE A 116 8.045 15.840 2.836 1.00 0.00 C ATOM 1745 CZ PHE A 116 7.134 16.424 1.978 1.00 0.00 C ATOM 0 H PHE A 116 9.832 10.379 1.184 1.00 0.00 H new ATOM 0 HA PHE A 116 9.145 12.314 -0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.567 11.800 0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.735 11.961 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.661 13.845 -0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.167 14.085 3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.928 16.160 0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.436 16.401 3.672 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.809 17.441 2.143 1.00 0.00 H new ATOM 1755 N SER A 117 11.533 13.221 1.347 1.00 0.00 N ATOM 1756 CA SER A 117 12.534 14.248 1.611 1.00 0.00 C ATOM 1757 C SER A 117 13.417 14.473 0.387 1.00 0.00 C ATOM 1758 O SER A 117 14.175 15.441 0.326 1.00 0.00 O ATOM 1759 CB SER A 117 13.397 13.852 2.811 1.00 0.00 C ATOM 1760 OG SER A 117 12.678 13.991 4.024 1.00 0.00 O ATOM 0 H SER A 117 11.670 12.355 1.868 1.00 0.00 H new ATOM 0 HA SER A 117 12.014 15.178 1.838 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.731 12.820 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 117 14.291 14.475 2.841 1.00 0.00 H new ATOM 0 HG SER A 117 13.251 13.730 4.775 1.00 0.00 H new ATOM 1766 N ASP A 118 13.312 13.573 -0.584 1.00 0.00 N ATOM 1767 CA ASP A 118 14.099 13.673 -1.807 1.00 0.00 C ATOM 1768 C ASP A 118 13.274 14.281 -2.937 1.00 0.00 C ATOM 1769 O ASP A 118 13.751 15.145 -3.672 1.00 0.00 O ATOM 1770 CB ASP A 118 14.614 12.294 -2.221 1.00 0.00 C ATOM 1771 CG ASP A 118 15.491 12.350 -3.457 1.00 0.00 C ATOM 1772 OD1 ASP A 118 16.299 13.296 -3.568 1.00 0.00 O ATOM 1773 OD2 ASP A 118 15.370 11.448 -4.311 1.00 0.00 O ATOM 0 H ASP A 118 12.689 12.766 -0.548 1.00 0.00 H new ATOM 0 HA ASP A 118 14.949 14.326 -1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.180 11.858 -1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.767 11.635 -2.410 1.00 0.00 H new ATOM 1778 N ASN A 119 12.033 13.824 -3.069 1.00 0.00 N ATOM 1779 CA ASN A 119 11.141 14.322 -4.110 1.00 0.00 C ATOM 1780 C ASN A 119 10.560 15.679 -3.725 1.00 0.00 C ATOM 1781 O ASN A 119 10.946 16.710 -4.276 1.00 0.00 O ATOM 1782 CB ASN A 119 10.010 13.323 -4.362 1.00 0.00 C ATOM 1783 CG ASN A 119 10.492 12.069 -5.065 1.00 0.00 C ATOM 1784 OD1 ASN A 119 10.100 11.790 -6.199 1.00 0.00 O ATOM 1785 ND2 ASN A 119 11.346 11.306 -4.394 1.00 0.00 N ATOM 0 H ASN A 119 11.622 13.110 -2.468 1.00 0.00 H new ATOM 0 HA ASN A 119 11.721 14.442 -5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.552 13.050 -3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 119 9.236 13.799 -4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.705 10.449 -4.816 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.644 11.576 -3.457 1.00 0.00 H new ATOM 1792 N ALA A 120 9.631 15.671 -2.775 1.00 0.00 N ATOM 1793 CA ALA A 120 8.998 16.901 -2.314 1.00 0.00 C ATOM 1794 C ALA A 120 9.907 17.658 -1.352 1.00 0.00 C ATOM 1795 O ALA A 120 10.853 17.106 -0.789 1.00 0.00 O ATOM 1796 CB ALA A 120 7.664 16.592 -1.651 1.00 0.00 C ATOM 0 H ALA A 120 9.300 14.826 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 120 8.821 17.537 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.203 17.520 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.006 16.101 -2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.826 15.934 -0.797 1.00 0.00 H new ATOM 1802 N PRO A 121 9.616 18.953 -1.158 1.00 0.00 N ATOM 1803 CA PRO A 121 10.395 19.814 -0.263 1.00 0.00 C ATOM 1804 C PRO A 121 10.204 19.449 1.205 1.00 0.00 C ATOM 1805 O PRO A 121 9.095 19.486 1.739 1.00 0.00 O ATOM 1806 CB PRO A 121 9.840 21.212 -0.544 1.00 0.00 C ATOM 1807 CG PRO A 121 8.456 20.977 -1.043 1.00 0.00 C ATOM 1808 CD PRO A 121 8.503 19.676 -1.796 1.00 0.00 C ATOM 0 HA PRO A 121 11.467 19.723 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 121 9.837 21.825 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.444 21.736 -1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 121 7.747 20.924 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 121 8.131 21.791 -1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.565 19.127 -1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 121 8.683 19.833 -2.859 1.00 0.00 H new ATOM 1816 N PRO A 122 11.308 19.089 1.875 1.00 0.00 N ATOM 1817 CA PRO A 122 11.287 18.711 3.291 1.00 0.00 C ATOM 1818 C PRO A 122 11.003 19.900 4.204 1.00 0.00 C ATOM 1819 O PRO A 122 11.384 21.036 3.921 1.00 0.00 O ATOM 1820 CB PRO A 122 12.700 18.175 3.537 1.00 0.00 C ATOM 1821 CG PRO A 122 13.543 18.845 2.508 1.00 0.00 C ATOM 1822 CD PRO A 122 12.663 19.022 1.302 1.00 0.00 C ATOM 0 HA PRO A 122 10.499 17.990 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 122 13.043 18.410 4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 122 12.736 17.091 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 122 13.908 19.806 2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 122 14.418 18.241 2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.912 19.930 0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 122 12.764 18.190 0.605 1.00 0.00 H new ATOM 1830 N PRO A 123 10.317 19.635 5.326 1.00 0.00 N ATOM 1831 CA PRO A 123 9.968 20.670 6.303 1.00 0.00 C ATOM 1832 C PRO A 123 11.187 21.193 7.055 1.00 0.00 C ATOM 1833 O PRO A 123 11.532 20.689 8.123 1.00 0.00 O ATOM 1834 CB PRO A 123 9.019 19.947 7.262 1.00 0.00 C ATOM 1835 CG PRO A 123 9.391 18.508 7.150 1.00 0.00 C ATOM 1836 CD PRO A 123 9.832 18.304 5.727 1.00 0.00 C ATOM 0 HA PRO A 123 9.530 21.547 5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 123 9.138 20.308 8.284 1.00 0.00 H new ATOM 0 HB3 PRO A 123 7.977 20.109 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 123 10.191 18.256 7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 123 8.544 17.866 7.392 1.00 0.00 H new ATOM 0 HD2 PRO A 123 10.617 17.551 5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 123 9.009 17.969 5.095 1.00 0.00 H new ATOM 1844 N GLU A 124 11.835 22.207 6.489 1.00 0.00 N ATOM 1845 CA GLU A 124 13.017 22.797 7.108 1.00 0.00 C ATOM 1846 C GLU A 124 12.682 23.372 8.481 1.00 0.00 C ATOM 1847 O GLU A 124 11.750 24.164 8.625 1.00 0.00 O ATOM 1848 CB GLU A 124 13.595 23.893 6.211 1.00 0.00 C ATOM 1849 CG GLU A 124 15.083 24.125 6.414 1.00 0.00 C ATOM 1850 CD GLU A 124 15.592 25.342 5.667 1.00 0.00 C ATOM 1851 OE1 GLU A 124 15.200 26.470 6.035 1.00 0.00 O ATOM 1852 OE2 GLU A 124 16.380 25.168 4.715 1.00 0.00 O ATOM 0 H GLU A 124 11.562 22.636 5.605 1.00 0.00 H new ATOM 0 HA GLU A 124 13.761 22.011 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.416 23.629 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 124 13.062 24.825 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.286 24.246 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.633 23.244 6.083 1.00 0.00 H new ATOM 1859 N LEU A 125 13.449 22.968 9.488 1.00 0.00 N ATOM 1860 CA LEU A 125 13.235 23.441 10.851 1.00 0.00 C ATOM 1861 C LEU A 125 14.512 23.319 11.676 1.00 0.00 C ATOM 1862 O LEU A 125 15.197 22.296 11.632 1.00 0.00 O ATOM 1863 CB LEU A 125 12.107 22.651 11.515 1.00 0.00 C ATOM 1864 CG LEU A 125 10.705 22.874 10.946 1.00 0.00 C ATOM 1865 CD1 LEU A 125 9.701 21.955 11.625 1.00 0.00 C ATOM 1866 CD2 LEU A 125 10.291 24.329 11.104 1.00 0.00 C ATOM 0 H LEU A 125 14.225 22.314 9.386 1.00 0.00 H new ATOM 0 HA LEU A 125 12.954 24.493 10.804 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.342 21.589 11.442 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.091 22.901 12.576 1.00 0.00 H new ATOM 0 HG LEU A 125 10.723 22.636 9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 125 8.709 22.128 11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.988 20.917 11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 125 9.685 22.161 12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.291 24.469 10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.290 24.594 12.161 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.995 24.968 10.570 1.00 0.00 H new ATOM 1878 N LEU A 126 14.826 24.367 12.430 1.00 0.00 N ATOM 1879 CA LEU A 126 16.019 24.377 13.268 1.00 0.00 C ATOM 1880 C LEU A 126 15.646 24.418 14.747 1.00 0.00 C ATOM 1881 O LEU A 126 15.307 25.473 15.281 1.00 0.00 O ATOM 1882 CB LEU A 126 16.901 25.577 12.920 1.00 0.00 C ATOM 1883 CG LEU A 126 18.397 25.413 13.193 1.00 0.00 C ATOM 1884 CD1 LEU A 126 19.202 26.404 12.368 1.00 0.00 C ATOM 1885 CD2 LEU A 126 18.690 25.588 14.676 1.00 0.00 C ATOM 0 H LEU A 126 14.270 25.221 12.478 1.00 0.00 H new ATOM 0 HA LEU A 126 16.574 23.458 13.077 1.00 0.00 H new ATOM 0 HB2 LEU A 126 16.768 25.806 11.863 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.542 26.441 13.480 1.00 0.00 H new ATOM 0 HG LEU A 126 18.692 24.405 12.901 1.00 0.00 H new ATOM 0 HD11 LEU A 126 20.264 26.272 12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 126 19.015 26.231 11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 126 18.905 27.420 12.628 1.00 0.00 H new ATOM 0 HD21 LEU A 126 19.759 25.468 14.852 1.00 0.00 H new ATOM 0 HD22 LEU A 126 18.379 26.583 14.993 1.00 0.00 H new ATOM 0 HD23 LEU A 126 18.142 24.838 15.246 1.00 0.00 H new ATOM 1897 N GLU A 127 15.713 23.263 15.401 1.00 0.00 N ATOM 1898 CA GLU A 127 15.383 23.169 16.818 1.00 0.00 C ATOM 1899 C GLU A 127 16.079 21.972 17.460 1.00 0.00 C ATOM 1900 O GLU A 127 16.085 20.873 16.906 1.00 0.00 O ATOM 1901 CB GLU A 127 13.869 23.053 17.006 1.00 0.00 C ATOM 1902 CG GLU A 127 13.107 24.299 16.589 1.00 0.00 C ATOM 1903 CD GLU A 127 11.697 24.335 17.147 1.00 0.00 C ATOM 1904 OE1 GLU A 127 11.487 23.810 18.260 1.00 0.00 O ATOM 1905 OE2 GLU A 127 10.805 24.888 16.470 1.00 0.00 O ATOM 0 H GLU A 127 15.992 22.380 14.973 1.00 0.00 H new ATOM 0 HA GLU A 127 15.734 24.078 17.307 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.504 22.204 16.429 1.00 0.00 H new ATOM 0 HB3 GLU A 127 13.657 22.841 18.054 1.00 0.00 H new ATOM 0 HG2 GLU A 127 13.650 25.182 16.926 1.00 0.00 H new ATOM 0 HG3 GLU A 127 13.064 24.347 15.501 1.00 0.00 H new ATOM 1912 N SER A 128 16.666 22.195 18.632 1.00 0.00 N ATOM 1913 CA SER A 128 17.369 21.137 19.348 1.00 0.00 C ATOM 1914 C SER A 128 17.414 21.431 20.844 1.00 0.00 C ATOM 1915 O SER A 128 17.561 22.580 21.259 1.00 0.00 O ATOM 1916 CB SER A 128 18.791 20.982 18.804 1.00 0.00 C ATOM 1917 OG SER A 128 19.293 19.680 19.053 1.00 0.00 O ATOM 0 H SER A 128 16.669 23.098 19.105 1.00 0.00 H new ATOM 0 HA SER A 128 16.825 20.205 19.195 1.00 0.00 H new ATOM 0 HB2 SER A 128 18.797 21.179 17.732 1.00 0.00 H new ATOM 0 HB3 SER A 128 19.444 21.722 19.267 1.00 0.00 H new ATOM 0 HG SER A 128 20.202 19.606 18.694 1.00 0.00 H new ATOM 1923 N GLY A 129 17.286 20.382 21.652 1.00 0.00 N ATOM 1924 CA GLY A 129 17.314 20.548 23.093 1.00 0.00 C ATOM 1925 C GLY A 129 16.069 21.230 23.623 1.00 0.00 C ATOM 1926 O GLY A 129 15.445 22.045 22.943 1.00 0.00 O ATOM 0 H GLY A 129 17.163 19.421 21.334 1.00 0.00 H new ATOM 0 HA2 GLY A 129 17.419 19.572 23.566 1.00 0.00 H new ATOM 0 HA3 GLY A 129 18.191 21.133 23.371 1.00 0.00 H new ATOM 1930 N PRO A 130 15.688 20.894 24.864 1.00 0.00 N ATOM 1931 CA PRO A 130 14.504 21.468 25.512 1.00 0.00 C ATOM 1932 C PRO A 130 14.692 22.940 25.862 1.00 0.00 C ATOM 1933 O PRO A 130 15.802 23.381 26.160 1.00 0.00 O ATOM 1934 CB PRO A 130 14.355 20.631 26.784 1.00 0.00 C ATOM 1935 CG PRO A 130 15.728 20.129 27.071 1.00 0.00 C ATOM 1936 CD PRO A 130 16.384 19.929 25.732 1.00 0.00 C ATOM 0 HA PRO A 130 13.629 21.440 24.862 1.00 0.00 H new ATOM 0 HB2 PRO A 130 13.972 21.231 27.610 1.00 0.00 H new ATOM 0 HB3 PRO A 130 13.656 19.808 26.637 1.00 0.00 H new ATOM 0 HG2 PRO A 130 16.286 20.843 27.676 1.00 0.00 H new ATOM 0 HG3 PRO A 130 15.693 19.195 27.632 1.00 0.00 H new ATOM 0 HD2 PRO A 130 17.455 20.127 25.776 1.00 0.00 H new ATOM 0 HD3 PRO A 130 16.263 18.907 25.374 1.00 0.00 H new ATOM 1944 N SER A 131 13.599 23.696 25.824 1.00 0.00 N ATOM 1945 CA SER A 131 13.644 25.121 26.134 1.00 0.00 C ATOM 1946 C SER A 131 12.531 25.501 27.105 1.00 0.00 C ATOM 1947 O SER A 131 11.580 24.744 27.304 1.00 0.00 O ATOM 1948 CB SER A 131 13.523 25.947 24.853 1.00 0.00 C ATOM 1949 OG SER A 131 14.768 26.036 24.183 1.00 0.00 O ATOM 0 H SER A 131 12.672 23.346 25.582 1.00 0.00 H new ATOM 0 HA SER A 131 14.603 25.335 26.606 1.00 0.00 H new ATOM 0 HB2 SER A 131 12.783 25.494 24.193 1.00 0.00 H new ATOM 0 HB3 SER A 131 13.164 26.948 25.094 1.00 0.00 H new ATOM 0 HG SER A 131 14.663 26.568 23.367 1.00 0.00 H new ATOM 1955 N SER A 132 12.656 26.679 27.708 1.00 0.00 N ATOM 1956 CA SER A 132 11.663 27.159 28.661 1.00 0.00 C ATOM 1957 C SER A 132 11.801 28.663 28.878 1.00 0.00 C ATOM 1958 O SER A 132 12.901 29.174 29.082 1.00 0.00 O ATOM 1959 CB SER A 132 11.809 26.424 29.995 1.00 0.00 C ATOM 1960 OG SER A 132 11.039 27.048 31.008 1.00 0.00 O ATOM 0 H SER A 132 13.435 27.318 27.553 1.00 0.00 H new ATOM 0 HA SER A 132 10.674 26.958 28.250 1.00 0.00 H new ATOM 0 HB2 SER A 132 11.492 25.388 29.879 1.00 0.00 H new ATOM 0 HB3 SER A 132 12.858 26.405 30.291 1.00 0.00 H new ATOM 0 HG SER A 132 11.148 26.559 31.850 1.00 0.00 H new ATOM 1966 N GLY A 133 10.674 29.367 28.834 1.00 0.00 N ATOM 1967 CA GLY A 133 10.689 30.805 29.026 1.00 0.00 C ATOM 1968 C GLY A 133 10.485 31.198 30.476 1.00 0.00 C ATOM 1969 O GLY A 133 9.998 30.402 31.279 1.00 0.00 O ATOM 0 H GLY A 133 9.751 28.967 28.669 1.00 0.00 H new ATOM 0 HA2 GLY A 133 11.640 31.206 28.674 1.00 0.00 H new ATOM 0 HA3 GLY A 133 9.907 31.258 28.416 1.00 0.00 H new TER 1973 GLY A 133