USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 830 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 53 LYS NZ :NH3+ -136:sc= -0.164 (180deg=-0.751) USER MOD Set 1.2: A 89 SER OG : rot -46:sc= 1 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00386 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 8 ASN : amide:sc= -2.1 X(o=-2.1,f=-1.7) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.7!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.0701 K(o=0.07,f=-4.8!) USER MOD Single : A 15 LYS NZ :NH3+ -128:sc= -0.0307 (180deg=-1.06) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -5.02! C(o=-5!,f=-8.4!) USER MOD Single : A 24 ASN : amide:sc= -1.95! C(o=-1.9!,f=-5.5!) USER MOD Single : A 30 THR OG1 : rot 37:sc= 0.639 USER MOD Single : A 36 HIS : no HE2:sc= -0.582 K(o=-0.58,f=-2.3) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 133:sc= 0.56 (180deg=-0.72) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -164:sc= 0 (180deg=-0.127) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -106:sc= -3.58 (180deg=-9.38!) USER MOD Single : A 64 ASN : amide:sc= 0.579 K(o=0.58,f=-3.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.289 USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= -0.558 (180deg=-0.842) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc=-0.00857 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0471 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc=-0.00616 K(o=-0.0062,f=-2!) USER MOD Single : A 83 MET CE :methyl -171:sc= -0.853 (180deg=-1.34) USER MOD Single : A 84 SER OG : rot 103:sc= 0.0162 USER MOD Single : A 85 ASN : amide:sc= -0.0241 K(o=-0.024,f=-0.96) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 160:sc= -0.152 (180deg=-0.893) USER MOD Single : A 91 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.967 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -5! C(o=-5!,f=-8.8!) USER MOD Single : A 102 TYR OH : rot 180:sc=-0.00499 USER MOD Single : A 105 HIS : no HD1:sc= -0.683 X(o=-0.68,f=-0.41) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.241 -76.975 15.801 1.00 0.00 N ATOM 2 CA GLY A 1 3.983 -76.974 14.554 1.00 0.00 C ATOM 3 C GLY A 1 4.455 -75.588 14.161 1.00 0.00 C ATOM 4 O GLY A 1 3.722 -74.833 13.523 1.00 0.00 O ATOM 0 H1 GLY A 1 2.941 -77.945 16.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.847 -76.614 16.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.403 -76.366 15.707 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.845 -77.635 14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.355 -77.379 13.761 1.00 0.00 H new ATOM 8 N SER A 2 5.682 -75.252 14.545 1.00 0.00 N ATOM 9 CA SER A 2 6.250 -73.945 14.233 1.00 0.00 C ATOM 10 C SER A 2 7.621 -74.090 13.581 1.00 0.00 C ATOM 11 O SER A 2 8.351 -75.044 13.850 1.00 0.00 O ATOM 12 CB SER A 2 6.363 -73.099 15.503 1.00 0.00 C ATOM 13 OG SER A 2 7.355 -73.615 16.373 1.00 0.00 O ATOM 0 H SER A 2 6.302 -75.866 15.073 1.00 0.00 H new ATOM 0 HA SER A 2 5.584 -73.445 13.530 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.607 -72.070 15.238 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.401 -73.077 16.016 1.00 0.00 H new ATOM 0 HG SER A 2 7.409 -73.056 17.176 1.00 0.00 H new ATOM 19 N SER A 3 7.965 -73.135 12.722 1.00 0.00 N ATOM 20 CA SER A 3 9.247 -73.157 12.028 1.00 0.00 C ATOM 21 C SER A 3 9.951 -71.809 12.146 1.00 0.00 C ATOM 22 O SER A 3 9.359 -70.822 12.579 1.00 0.00 O ATOM 23 CB SER A 3 9.046 -73.513 10.553 1.00 0.00 C ATOM 24 OG SER A 3 10.271 -73.886 9.948 1.00 0.00 O ATOM 0 H SER A 3 7.374 -72.337 12.490 1.00 0.00 H new ATOM 0 HA SER A 3 9.873 -73.917 12.496 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.330 -74.331 10.467 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.620 -72.660 10.024 1.00 0.00 H new ATOM 0 HG SER A 3 10.116 -74.110 9.007 1.00 0.00 H new ATOM 30 N GLY A 4 11.222 -71.776 11.756 1.00 0.00 N ATOM 31 CA GLY A 4 11.988 -70.545 11.826 1.00 0.00 C ATOM 32 C GLY A 4 13.407 -70.772 12.307 1.00 0.00 C ATOM 33 O GLY A 4 13.687 -70.674 13.502 1.00 0.00 O ATOM 0 H GLY A 4 11.735 -72.580 11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.012 -70.079 10.841 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.487 -69.847 12.497 1.00 0.00 H new ATOM 37 N SER A 5 14.305 -71.076 11.376 1.00 0.00 N ATOM 38 CA SER A 5 15.702 -71.323 11.713 1.00 0.00 C ATOM 39 C SER A 5 16.545 -70.072 11.484 1.00 0.00 C ATOM 40 O SER A 5 17.301 -69.651 12.359 1.00 0.00 O ATOM 41 CB SER A 5 16.252 -72.483 10.881 1.00 0.00 C ATOM 42 OG SER A 5 17.455 -72.985 11.438 1.00 0.00 O ATOM 0 H SER A 5 14.090 -71.157 10.382 1.00 0.00 H new ATOM 0 HA SER A 5 15.755 -71.587 12.769 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.511 -73.281 10.829 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.432 -72.148 9.859 1.00 0.00 H new ATOM 0 HG SER A 5 17.785 -73.727 10.889 1.00 0.00 H new ATOM 48 N SER A 6 16.410 -69.484 10.299 1.00 0.00 N ATOM 49 CA SER A 6 17.161 -68.284 9.952 1.00 0.00 C ATOM 50 C SER A 6 17.354 -67.390 11.173 1.00 0.00 C ATOM 51 O SER A 6 16.504 -67.343 12.062 1.00 0.00 O ATOM 52 CB SER A 6 16.442 -67.508 8.847 1.00 0.00 C ATOM 53 OG SER A 6 17.245 -66.446 8.363 1.00 0.00 O ATOM 0 H SER A 6 15.788 -69.820 9.564 1.00 0.00 H new ATOM 0 HA SER A 6 18.142 -68.592 9.591 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.193 -68.182 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.502 -67.111 9.230 1.00 0.00 H new ATOM 0 HG SER A 6 16.763 -65.967 7.657 1.00 0.00 H new ATOM 59 N GLY A 7 18.479 -66.682 11.210 1.00 0.00 N ATOM 60 CA GLY A 7 18.764 -65.800 12.326 1.00 0.00 C ATOM 61 C GLY A 7 19.619 -64.614 11.924 1.00 0.00 C ATOM 62 O GLY A 7 19.585 -64.177 10.774 1.00 0.00 O ATOM 0 H GLY A 7 19.198 -66.704 10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.826 -65.441 12.750 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.273 -66.362 13.109 1.00 0.00 H new ATOM 66 N ASN A 8 20.387 -64.091 12.874 1.00 0.00 N ATOM 67 CA ASN A 8 21.253 -62.947 12.613 1.00 0.00 C ATOM 68 C ASN A 8 22.393 -62.886 13.626 1.00 0.00 C ATOM 69 O ASN A 8 22.442 -63.674 14.570 1.00 0.00 O ATOM 70 CB ASN A 8 20.445 -61.649 12.659 1.00 0.00 C ATOM 71 CG ASN A 8 19.479 -61.528 11.496 1.00 0.00 C ATOM 72 OD1 ASN A 8 19.855 -61.101 10.404 1.00 0.00 O ATOM 73 ND2 ASN A 8 18.226 -61.904 11.727 1.00 0.00 N ATOM 0 H ASN A 8 20.427 -64.441 13.831 1.00 0.00 H new ATOM 0 HA ASN A 8 21.681 -63.066 11.618 1.00 0.00 H new ATOM 0 HB2 ASN A 8 19.889 -61.603 13.596 1.00 0.00 H new ATOM 0 HB3 ASN A 8 21.127 -60.799 12.651 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.530 -61.845 10.983 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.959 -62.252 12.648 1.00 0.00 H new ATOM 80 N VAL A 9 23.308 -61.943 13.422 1.00 0.00 N ATOM 81 CA VAL A 9 24.446 -61.777 14.318 1.00 0.00 C ATOM 82 C VAL A 9 25.268 -60.550 13.940 1.00 0.00 C ATOM 83 O VAL A 9 25.327 -60.165 12.772 1.00 0.00 O ATOM 84 CB VAL A 9 25.360 -63.017 14.300 1.00 0.00 C ATOM 85 CG1 VAL A 9 25.969 -63.213 12.920 1.00 0.00 C ATOM 86 CG2 VAL A 9 26.445 -62.894 15.359 1.00 0.00 C ATOM 0 H VAL A 9 23.283 -61.283 12.645 1.00 0.00 H new ATOM 0 HA VAL A 9 24.042 -61.646 15.322 1.00 0.00 H new ATOM 0 HB VAL A 9 24.757 -63.895 14.531 1.00 0.00 H new ATOM 0 HG11 VAL A 9 26.611 -64.094 12.927 1.00 0.00 H new ATOM 0 HG12 VAL A 9 25.174 -63.350 12.187 1.00 0.00 H new ATOM 0 HG13 VAL A 9 26.559 -62.336 12.655 1.00 0.00 H new ATOM 0 HG21 VAL A 9 27.081 -63.778 15.332 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.047 -62.007 15.161 1.00 0.00 H new ATOM 0 HG23 VAL A 9 25.985 -62.808 16.343 1.00 0.00 H new ATOM 96 N ASP A 10 25.900 -59.939 14.936 1.00 0.00 N ATOM 97 CA ASP A 10 26.721 -58.755 14.708 1.00 0.00 C ATOM 98 C ASP A 10 27.778 -58.609 15.798 1.00 0.00 C ATOM 99 O ASP A 10 27.484 -58.750 16.985 1.00 0.00 O ATOM 100 CB ASP A 10 25.844 -57.502 14.661 1.00 0.00 C ATOM 101 CG ASP A 10 24.767 -57.508 15.728 1.00 0.00 C ATOM 102 OD1 ASP A 10 25.101 -57.279 16.909 1.00 0.00 O ATOM 103 OD2 ASP A 10 23.590 -57.742 15.381 1.00 0.00 O ATOM 0 H ASP A 10 25.860 -60.244 15.909 1.00 0.00 H new ATOM 0 HA ASP A 10 27.226 -58.872 13.749 1.00 0.00 H new ATOM 0 HB2 ASP A 10 26.470 -56.619 14.786 1.00 0.00 H new ATOM 0 HB3 ASP A 10 25.378 -57.425 13.679 1.00 0.00 H new ATOM 108 N SER A 11 29.010 -58.327 15.386 1.00 0.00 N ATOM 109 CA SER A 11 30.113 -58.167 16.327 1.00 0.00 C ATOM 110 C SER A 11 30.264 -56.707 16.744 1.00 0.00 C ATOM 111 O SER A 11 30.209 -56.380 17.928 1.00 0.00 O ATOM 112 CB SER A 11 31.418 -58.670 15.706 1.00 0.00 C ATOM 113 OG SER A 11 31.487 -60.085 15.739 1.00 0.00 O ATOM 0 H SER A 11 29.270 -58.205 14.407 1.00 0.00 H new ATOM 0 HA SER A 11 29.890 -58.759 17.215 1.00 0.00 H new ATOM 0 HB2 SER A 11 31.491 -58.323 14.675 1.00 0.00 H new ATOM 0 HB3 SER A 11 32.267 -58.249 16.245 1.00 0.00 H new ATOM 0 HG SER A 11 32.329 -60.381 15.335 1.00 0.00 H new ATOM 119 N ASN A 12 30.455 -55.834 15.760 1.00 0.00 N ATOM 120 CA ASN A 12 30.615 -54.409 16.024 1.00 0.00 C ATOM 121 C ASN A 12 29.488 -53.890 16.913 1.00 0.00 C ATOM 122 O ASN A 12 28.311 -54.116 16.633 1.00 0.00 O ATOM 123 CB ASN A 12 30.644 -53.626 14.710 1.00 0.00 C ATOM 124 CG ASN A 12 29.418 -53.886 13.855 1.00 0.00 C ATOM 125 OD1 ASN A 12 28.533 -54.651 14.236 1.00 0.00 O ATOM 126 ND2 ASN A 12 29.362 -53.247 12.692 1.00 0.00 N ATOM 0 H ASN A 12 30.503 -56.088 14.773 1.00 0.00 H new ATOM 0 HA ASN A 12 31.561 -54.266 16.546 1.00 0.00 H new ATOM 0 HB2 ASN A 12 30.713 -52.560 14.927 1.00 0.00 H new ATOM 0 HB3 ASN A 12 31.539 -53.896 14.149 1.00 0.00 H new ATOM 0 HD21 ASN A 12 28.562 -53.382 12.074 1.00 0.00 H new ATOM 0 HD22 ASN A 12 30.119 -52.622 12.417 1.00 0.00 H new ATOM 133 N GLN A 13 29.859 -53.195 17.983 1.00 0.00 N ATOM 134 CA GLN A 13 28.880 -52.645 18.913 1.00 0.00 C ATOM 135 C GLN A 13 29.030 -51.132 19.030 1.00 0.00 C ATOM 136 O GLN A 13 28.120 -50.379 18.685 1.00 0.00 O ATOM 137 CB GLN A 13 29.033 -53.292 20.290 1.00 0.00 C ATOM 138 CG GLN A 13 28.357 -54.649 20.403 1.00 0.00 C ATOM 139 CD GLN A 13 28.087 -55.049 21.840 1.00 0.00 C ATOM 140 OE1 GLN A 13 28.957 -55.596 22.518 1.00 0.00 O ATOM 141 NE2 GLN A 13 26.876 -54.778 22.313 1.00 0.00 N ATOM 0 H GLN A 13 30.830 -52.999 18.227 1.00 0.00 H new ATOM 0 HA GLN A 13 27.885 -52.864 18.525 1.00 0.00 H new ATOM 0 HB2 GLN A 13 30.094 -53.404 20.514 1.00 0.00 H new ATOM 0 HB3 GLN A 13 28.617 -52.624 21.044 1.00 0.00 H new ATOM 0 HG2 GLN A 13 27.416 -54.629 19.853 1.00 0.00 H new ATOM 0 HG3 GLN A 13 28.986 -55.404 19.932 1.00 0.00 H new ATOM 0 HE21 GLN A 13 26.185 -54.323 21.716 1.00 0.00 H new ATOM 0 HE22 GLN A 13 26.637 -55.024 23.273 1.00 0.00 H new ATOM 150 N ASN A 14 30.186 -50.693 19.519 1.00 0.00 N ATOM 151 CA ASN A 14 30.455 -49.269 19.682 1.00 0.00 C ATOM 152 C ASN A 14 31.911 -49.032 20.072 1.00 0.00 C ATOM 153 O ASN A 14 32.678 -49.977 20.255 1.00 0.00 O ATOM 154 CB ASN A 14 29.528 -48.672 20.742 1.00 0.00 C ATOM 155 CG ASN A 14 29.293 -47.188 20.535 1.00 0.00 C ATOM 156 OD1 ASN A 14 30.123 -46.359 20.909 1.00 0.00 O ATOM 157 ND2 ASN A 14 28.158 -46.846 19.937 1.00 0.00 N ATOM 0 H ASN A 14 30.951 -51.303 19.809 1.00 0.00 H new ATOM 0 HA ASN A 14 30.268 -48.777 18.727 1.00 0.00 H new ATOM 0 HB2 ASN A 14 28.572 -49.195 20.721 1.00 0.00 H new ATOM 0 HB3 ASN A 14 29.958 -48.835 21.730 1.00 0.00 H new ATOM 0 HD21 ASN A 14 27.945 -45.862 19.771 1.00 0.00 H new ATOM 0 HD22 ASN A 14 27.499 -47.567 19.644 1.00 0.00 H new ATOM 164 N LYS A 15 32.285 -47.763 20.198 1.00 0.00 N ATOM 165 CA LYS A 15 33.647 -47.400 20.568 1.00 0.00 C ATOM 166 C LYS A 15 33.683 -46.026 21.230 1.00 0.00 C ATOM 167 O LYS A 15 32.719 -45.266 21.156 1.00 0.00 O ATOM 168 CB LYS A 15 34.552 -47.406 19.334 1.00 0.00 C ATOM 169 CG LYS A 15 34.188 -46.347 18.307 1.00 0.00 C ATOM 170 CD LYS A 15 34.997 -46.507 17.031 1.00 0.00 C ATOM 171 CE LYS A 15 36.405 -45.954 17.190 1.00 0.00 C ATOM 172 NZ LYS A 15 37.356 -46.989 17.681 1.00 0.00 N ATOM 0 H LYS A 15 31.663 -46.969 20.049 1.00 0.00 H new ATOM 0 HA LYS A 15 34.011 -48.138 21.282 1.00 0.00 H new ATOM 0 HB2 LYS A 15 35.584 -47.254 19.650 1.00 0.00 H new ATOM 0 HB3 LYS A 15 34.504 -48.388 18.863 1.00 0.00 H new ATOM 0 HG2 LYS A 15 33.125 -46.413 18.076 1.00 0.00 H new ATOM 0 HG3 LYS A 15 34.362 -45.356 18.727 1.00 0.00 H new ATOM 0 HD2 LYS A 15 35.048 -47.562 16.761 1.00 0.00 H new ATOM 0 HD3 LYS A 15 34.493 -45.992 16.213 1.00 0.00 H new ATOM 0 HE2 LYS A 15 36.753 -45.566 16.233 1.00 0.00 H new ATOM 0 HE3 LYS A 15 36.389 -45.116 17.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 37.865 -46.627 18.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 36.830 -47.847 17.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 38.039 -47.217 16.930 1.00 0.00 H new ATOM 186 N ALA A 16 34.802 -45.715 21.876 1.00 0.00 N ATOM 187 CA ALA A 16 34.965 -44.432 22.548 1.00 0.00 C ATOM 188 C ALA A 16 36.390 -43.911 22.401 1.00 0.00 C ATOM 189 O ALA A 16 37.348 -44.685 22.418 1.00 0.00 O ATOM 190 CB ALA A 16 34.595 -44.556 24.019 1.00 0.00 C ATOM 0 H ALA A 16 35.609 -46.334 21.948 1.00 0.00 H new ATOM 0 HA ALA A 16 34.294 -43.715 22.075 1.00 0.00 H new ATOM 0 HB1 ALA A 16 34.721 -43.590 24.509 1.00 0.00 H new ATOM 0 HB2 ALA A 16 33.556 -44.874 24.107 1.00 0.00 H new ATOM 0 HB3 ALA A 16 35.242 -45.292 24.496 1.00 0.00 H new ATOM 196 N SER A 17 36.524 -42.597 22.257 1.00 0.00 N ATOM 197 CA SER A 17 37.833 -41.974 22.102 1.00 0.00 C ATOM 198 C SER A 17 38.446 -41.652 23.462 1.00 0.00 C ATOM 199 O SER A 17 38.405 -40.510 23.918 1.00 0.00 O ATOM 200 CB SER A 17 37.719 -40.698 21.267 1.00 0.00 C ATOM 201 OG SER A 17 37.164 -40.971 19.992 1.00 0.00 O ATOM 0 H SER A 17 35.742 -41.943 22.244 1.00 0.00 H new ATOM 0 HA SER A 17 38.485 -42.680 21.587 1.00 0.00 H new ATOM 0 HB2 SER A 17 37.097 -39.972 21.790 1.00 0.00 H new ATOM 0 HB3 SER A 17 38.704 -40.247 21.149 1.00 0.00 H new ATOM 0 HG SER A 17 37.100 -40.139 19.478 1.00 0.00 H new ATOM 207 N MET A 18 39.013 -42.668 24.104 1.00 0.00 N ATOM 208 CA MET A 18 39.636 -42.494 25.411 1.00 0.00 C ATOM 209 C MET A 18 41.070 -41.994 25.268 1.00 0.00 C ATOM 210 O MET A 18 41.940 -42.335 26.071 1.00 0.00 O ATOM 211 CB MET A 18 39.617 -43.811 26.188 1.00 0.00 C ATOM 212 CG MET A 18 39.546 -43.627 27.695 1.00 0.00 C ATOM 213 SD MET A 18 39.062 -45.135 28.557 1.00 0.00 S ATOM 214 CE MET A 18 40.227 -45.134 29.918 1.00 0.00 C ATOM 0 H MET A 18 39.054 -43.620 23.741 1.00 0.00 H new ATOM 0 HA MET A 18 39.064 -41.748 25.962 1.00 0.00 H new ATOM 0 HB2 MET A 18 38.762 -44.403 25.862 1.00 0.00 H new ATOM 0 HB3 MET A 18 40.513 -44.382 25.942 1.00 0.00 H new ATOM 0 HG2 MET A 18 40.518 -43.299 28.063 1.00 0.00 H new ATOM 0 HG3 MET A 18 38.833 -42.836 27.927 1.00 0.00 H new ATOM 0 HE1 MET A 18 40.055 -46.009 30.545 1.00 0.00 H new ATOM 0 HE2 MET A 18 41.244 -45.163 29.527 1.00 0.00 H new ATOM 0 HE3 MET A 18 40.092 -44.230 30.512 1.00 0.00 H new ATOM 224 N LEU A 19 41.311 -41.187 24.241 1.00 0.00 N ATOM 225 CA LEU A 19 42.641 -40.641 23.993 1.00 0.00 C ATOM 226 C LEU A 19 42.778 -39.246 24.595 1.00 0.00 C ATOM 227 O LEU A 19 43.882 -38.798 24.902 1.00 0.00 O ATOM 228 CB LEU A 19 42.920 -40.589 22.490 1.00 0.00 C ATOM 229 CG LEU A 19 42.009 -39.676 21.668 1.00 0.00 C ATOM 230 CD1 LEU A 19 42.565 -38.261 21.632 1.00 0.00 C ATOM 231 CD2 LEU A 19 41.840 -40.221 20.258 1.00 0.00 C ATOM 0 H LEU A 19 40.603 -40.896 23.567 1.00 0.00 H new ATOM 0 HA LEU A 19 43.370 -41.296 24.470 1.00 0.00 H new ATOM 0 HB2 LEU A 19 43.951 -40.267 22.343 1.00 0.00 H new ATOM 0 HB3 LEU A 19 42.842 -41.600 22.091 1.00 0.00 H new ATOM 0 HG LEU A 19 41.029 -39.647 22.144 1.00 0.00 H new ATOM 0 HD11 LEU A 19 41.904 -37.625 21.043 1.00 0.00 H new ATOM 0 HD12 LEU A 19 42.633 -37.871 22.648 1.00 0.00 H new ATOM 0 HD13 LEU A 19 43.557 -38.271 21.180 1.00 0.00 H new ATOM 0 HD21 LEU A 19 41.189 -39.559 19.688 1.00 0.00 H new ATOM 0 HD22 LEU A 19 42.814 -40.280 19.772 1.00 0.00 H new ATOM 0 HD23 LEU A 19 41.396 -41.216 20.303 1.00 0.00 H new ATOM 243 N GLN A 20 41.648 -38.565 24.762 1.00 0.00 N ATOM 244 CA GLN A 20 41.643 -37.222 25.329 1.00 0.00 C ATOM 245 C GLN A 20 41.086 -37.233 26.749 1.00 0.00 C ATOM 246 O GLN A 20 40.205 -38.028 27.074 1.00 0.00 O ATOM 247 CB GLN A 20 40.818 -36.279 24.452 1.00 0.00 C ATOM 248 CG GLN A 20 41.026 -34.808 24.777 1.00 0.00 C ATOM 249 CD GLN A 20 40.183 -34.345 25.949 1.00 0.00 C ATOM 250 OE1 GLN A 20 40.705 -33.837 26.941 1.00 0.00 O ATOM 251 NE2 GLN A 20 38.871 -34.518 25.839 1.00 0.00 N ATOM 0 H GLN A 20 40.725 -38.921 24.513 1.00 0.00 H new ATOM 0 HA GLN A 20 42.672 -36.866 25.365 1.00 0.00 H new ATOM 0 HB2 GLN A 20 41.074 -36.451 23.407 1.00 0.00 H new ATOM 0 HB3 GLN A 20 39.761 -36.522 24.566 1.00 0.00 H new ATOM 0 HG2 GLN A 20 42.079 -34.634 25.000 1.00 0.00 H new ATOM 0 HG3 GLN A 20 40.783 -34.208 23.900 1.00 0.00 H new ATOM 0 HE21 GLN A 20 38.481 -34.944 24.998 1.00 0.00 H new ATOM 0 HE22 GLN A 20 38.253 -34.225 26.596 1.00 0.00 H new ATOM 260 N ALA A 21 41.606 -36.345 27.590 1.00 0.00 N ATOM 261 CA ALA A 21 41.160 -36.251 28.974 1.00 0.00 C ATOM 262 C ALA A 21 40.937 -34.799 29.382 1.00 0.00 C ATOM 263 O ALA A 21 41.779 -33.937 29.130 1.00 0.00 O ATOM 264 CB ALA A 21 42.170 -36.912 29.900 1.00 0.00 C ATOM 0 H ALA A 21 42.337 -35.680 27.336 1.00 0.00 H new ATOM 0 HA ALA A 21 40.208 -36.775 29.059 1.00 0.00 H new ATOM 0 HB1 ALA A 21 41.824 -36.834 30.931 1.00 0.00 H new ATOM 0 HB2 ALA A 21 42.277 -37.963 29.631 1.00 0.00 H new ATOM 0 HB3 ALA A 21 43.134 -36.413 29.802 1.00 0.00 H new ATOM 270 N ARG A 22 39.797 -34.534 30.012 1.00 0.00 N ATOM 271 CA ARG A 22 39.463 -33.185 30.452 1.00 0.00 C ATOM 272 C ARG A 22 40.158 -32.856 31.770 1.00 0.00 C ATOM 273 O ARG A 22 39.669 -33.203 32.846 1.00 0.00 O ATOM 274 CB ARG A 22 37.948 -33.038 30.611 1.00 0.00 C ATOM 275 CG ARG A 22 37.496 -31.605 30.837 1.00 0.00 C ATOM 276 CD ARG A 22 36.067 -31.390 30.361 1.00 0.00 C ATOM 277 NE ARG A 22 35.775 -29.979 30.126 1.00 0.00 N ATOM 278 CZ ARG A 22 34.581 -29.526 29.759 1.00 0.00 C ATOM 279 NH1 ARG A 22 33.573 -30.370 29.588 1.00 0.00 N ATOM 280 NH2 ARG A 22 34.394 -28.227 29.564 1.00 0.00 N ATOM 0 H ARG A 22 39.089 -35.236 30.229 1.00 0.00 H new ATOM 0 HA ARG A 22 39.811 -32.485 29.693 1.00 0.00 H new ATOM 0 HB2 ARG A 22 37.458 -33.428 29.719 1.00 0.00 H new ATOM 0 HB3 ARG A 22 37.618 -33.651 31.450 1.00 0.00 H new ATOM 0 HG2 ARG A 22 37.568 -31.363 31.897 1.00 0.00 H new ATOM 0 HG3 ARG A 22 38.163 -30.924 30.308 1.00 0.00 H new ATOM 0 HD2 ARG A 22 35.903 -31.952 29.442 1.00 0.00 H new ATOM 0 HD3 ARG A 22 35.374 -31.785 31.104 1.00 0.00 H new ATOM 0 HE ARG A 22 36.529 -29.304 30.250 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.713 -31.369 29.738 1.00 0.00 H new ATOM 0 HH12 ARG A 22 32.657 -30.020 29.306 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.167 -27.575 29.696 1.00 0.00 H new ATOM 0 HH22 ARG A 22 33.477 -27.880 29.282 1.00 0.00 H new ATOM 294 N LEU A 23 41.300 -32.185 31.678 1.00 0.00 N ATOM 295 CA LEU A 23 42.064 -31.808 32.863 1.00 0.00 C ATOM 296 C LEU A 23 41.795 -30.356 33.246 1.00 0.00 C ATOM 297 O LEU A 23 42.047 -29.946 34.378 1.00 0.00 O ATOM 298 CB LEU A 23 43.559 -32.015 32.617 1.00 0.00 C ATOM 299 CG LEU A 23 44.262 -30.927 31.804 1.00 0.00 C ATOM 300 CD1 LEU A 23 45.722 -30.812 32.216 1.00 0.00 C ATOM 301 CD2 LEU A 23 44.148 -31.217 30.315 1.00 0.00 C ATOM 0 H LEU A 23 41.718 -31.890 30.796 1.00 0.00 H new ATOM 0 HA LEU A 23 41.746 -32.446 33.688 1.00 0.00 H new ATOM 0 HB2 LEU A 23 44.058 -32.098 33.583 1.00 0.00 H new ATOM 0 HB3 LEU A 23 43.694 -32.968 32.105 1.00 0.00 H new ATOM 0 HG LEU A 23 43.772 -29.975 32.007 1.00 0.00 H new ATOM 0 HD11 LEU A 23 46.206 -30.033 31.627 1.00 0.00 H new ATOM 0 HD12 LEU A 23 45.782 -30.557 33.274 1.00 0.00 H new ATOM 0 HD13 LEU A 23 46.225 -31.763 32.043 1.00 0.00 H new ATOM 0 HD21 LEU A 23 44.654 -30.433 29.752 1.00 0.00 H new ATOM 0 HD22 LEU A 23 44.612 -32.178 30.095 1.00 0.00 H new ATOM 0 HD23 LEU A 23 43.096 -31.248 30.030 1.00 0.00 H new ATOM 313 N ASN A 24 41.281 -29.584 32.293 1.00 0.00 N ATOM 314 CA ASN A 24 40.977 -28.178 32.531 1.00 0.00 C ATOM 315 C ASN A 24 39.608 -27.814 31.963 1.00 0.00 C ATOM 316 O ASN A 24 39.025 -28.572 31.188 1.00 0.00 O ATOM 317 CB ASN A 24 42.053 -27.289 31.906 1.00 0.00 C ATOM 318 CG ASN A 24 41.980 -27.271 30.391 1.00 0.00 C ATOM 319 OD1 ASN A 24 40.995 -27.714 29.801 1.00 0.00 O ATOM 320 ND2 ASN A 24 43.026 -26.757 29.754 1.00 0.00 N ATOM 0 H ASN A 24 41.067 -29.908 31.350 1.00 0.00 H new ATOM 0 HA ASN A 24 40.960 -28.013 33.608 1.00 0.00 H new ATOM 0 HB2 ASN A 24 41.945 -26.272 32.284 1.00 0.00 H new ATOM 0 HB3 ASN A 24 43.037 -27.642 32.215 1.00 0.00 H new ATOM 0 HD21 ASN A 24 43.034 -26.718 28.735 1.00 0.00 H new ATOM 0 HD22 ASN A 24 43.821 -26.401 30.284 1.00 0.00 H new ATOM 327 N ASP A 25 39.102 -26.650 32.355 1.00 0.00 N ATOM 328 CA ASP A 25 37.803 -26.184 31.884 1.00 0.00 C ATOM 329 C ASP A 25 37.965 -25.181 30.746 1.00 0.00 C ATOM 330 O ASP A 25 39.082 -24.807 30.391 1.00 0.00 O ATOM 331 CB ASP A 25 37.018 -25.549 33.033 1.00 0.00 C ATOM 332 CG ASP A 25 36.906 -26.467 34.235 1.00 0.00 C ATOM 333 OD1 ASP A 25 36.313 -27.557 34.096 1.00 0.00 O ATOM 334 OD2 ASP A 25 37.414 -26.095 35.313 1.00 0.00 O ATOM 0 H ASP A 25 39.571 -26.012 32.998 1.00 0.00 H new ATOM 0 HA ASP A 25 37.250 -27.045 31.509 1.00 0.00 H new ATOM 0 HB2 ASP A 25 37.505 -24.621 33.332 1.00 0.00 H new ATOM 0 HB3 ASP A 25 36.019 -25.287 32.685 1.00 0.00 H new ATOM 339 N GLU A 26 36.842 -24.751 30.179 1.00 0.00 N ATOM 340 CA GLU A 26 36.861 -23.792 29.080 1.00 0.00 C ATOM 341 C GLU A 26 35.634 -22.886 29.128 1.00 0.00 C ATOM 342 O GLU A 26 34.511 -23.354 29.312 1.00 0.00 O ATOM 343 CB GLU A 26 36.917 -24.523 27.737 1.00 0.00 C ATOM 344 CG GLU A 26 37.363 -23.642 26.583 1.00 0.00 C ATOM 345 CD GLU A 26 38.569 -22.790 26.931 1.00 0.00 C ATOM 346 OE1 GLU A 26 39.662 -23.361 27.126 1.00 0.00 O ATOM 347 OE2 GLU A 26 38.418 -21.553 27.008 1.00 0.00 O ATOM 0 H GLU A 26 35.909 -25.051 30.462 1.00 0.00 H new ATOM 0 HA GLU A 26 37.752 -23.174 29.186 1.00 0.00 H new ATOM 0 HB2 GLU A 26 37.599 -25.369 27.822 1.00 0.00 H new ATOM 0 HB3 GLU A 26 35.931 -24.929 27.513 1.00 0.00 H new ATOM 0 HG2 GLU A 26 37.601 -24.269 25.724 1.00 0.00 H new ATOM 0 HG3 GLU A 26 36.539 -22.994 26.286 1.00 0.00 H new ATOM 354 N ALA A 27 35.859 -21.587 28.961 1.00 0.00 N ATOM 355 CA ALA A 27 34.773 -20.615 28.983 1.00 0.00 C ATOM 356 C ALA A 27 34.172 -20.431 27.593 1.00 0.00 C ATOM 357 O ALA A 27 34.651 -21.008 26.618 1.00 0.00 O ATOM 358 CB ALA A 27 35.268 -19.283 29.527 1.00 0.00 C ATOM 0 H ALA A 27 36.783 -21.184 28.809 1.00 0.00 H new ATOM 0 HA ALA A 27 33.991 -20.995 29.640 1.00 0.00 H new ATOM 0 HB1 ALA A 27 34.447 -18.567 29.538 1.00 0.00 H new ATOM 0 HB2 ALA A 27 35.643 -19.421 30.541 1.00 0.00 H new ATOM 0 HB3 ALA A 27 36.070 -18.906 28.892 1.00 0.00 H new ATOM 364 N GLY A 28 33.120 -19.623 27.511 1.00 0.00 N ATOM 365 CA GLY A 28 32.471 -19.378 26.236 1.00 0.00 C ATOM 366 C GLY A 28 31.648 -18.105 26.239 1.00 0.00 C ATOM 367 O GLY A 28 31.859 -17.223 27.071 1.00 0.00 O ATOM 0 H GLY A 28 32.705 -19.134 28.304 1.00 0.00 H new ATOM 0 HA2 GLY A 28 33.227 -19.316 25.453 1.00 0.00 H new ATOM 0 HA3 GLY A 28 31.827 -20.223 25.991 1.00 0.00 H new ATOM 371 N GLY A 29 30.708 -18.007 25.304 1.00 0.00 N ATOM 372 CA GLY A 29 29.867 -16.827 25.218 1.00 0.00 C ATOM 373 C GLY A 29 28.897 -16.890 24.055 1.00 0.00 C ATOM 374 O GLY A 29 28.973 -17.793 23.221 1.00 0.00 O ATOM 0 H GLY A 29 30.514 -18.724 24.605 1.00 0.00 H new ATOM 0 HA2 GLY A 29 29.308 -16.714 26.147 1.00 0.00 H new ATOM 0 HA3 GLY A 29 30.496 -15.943 25.115 1.00 0.00 H new ATOM 378 N THR A 30 27.981 -15.928 23.997 1.00 0.00 N ATOM 379 CA THR A 30 26.991 -15.879 22.930 1.00 0.00 C ATOM 380 C THR A 30 26.789 -14.452 22.432 1.00 0.00 C ATOM 381 O THR A 30 26.166 -13.631 23.107 1.00 0.00 O ATOM 382 CB THR A 30 25.635 -16.445 23.394 1.00 0.00 C ATOM 383 OG1 THR A 30 25.182 -15.740 24.554 1.00 0.00 O ATOM 384 CG2 THR A 30 25.748 -17.929 23.708 1.00 0.00 C ATOM 0 H THR A 30 27.905 -15.172 24.678 1.00 0.00 H new ATOM 0 HA THR A 30 27.374 -16.495 22.116 1.00 0.00 H new ATOM 0 HB THR A 30 24.915 -16.314 22.586 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.425 -14.794 24.477 1.00 0.00 H new ATOM 0 HG21 THR A 30 24.779 -18.307 24.034 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.066 -18.467 22.815 1.00 0.00 H new ATOM 0 HG23 THR A 30 26.481 -18.078 24.501 1.00 0.00 H new ATOM 392 N ARG A 31 27.319 -14.162 21.248 1.00 0.00 N ATOM 393 CA ARG A 31 27.197 -12.833 20.661 1.00 0.00 C ATOM 394 C ARG A 31 26.639 -12.915 19.243 1.00 0.00 C ATOM 395 O ARG A 31 27.387 -13.075 18.278 1.00 0.00 O ATOM 396 CB ARG A 31 28.556 -12.132 20.646 1.00 0.00 C ATOM 397 CG ARG A 31 28.460 -10.619 20.539 1.00 0.00 C ATOM 398 CD ARG A 31 28.386 -9.968 21.911 1.00 0.00 C ATOM 399 NE ARG A 31 27.182 -10.362 22.639 1.00 0.00 N ATOM 400 CZ ARG A 31 25.980 -9.850 22.403 1.00 0.00 C ATOM 401 NH1 ARG A 31 25.821 -8.929 21.462 1.00 0.00 N ATOM 402 NH2 ARG A 31 24.932 -10.259 23.107 1.00 0.00 N ATOM 0 H ARG A 31 27.837 -14.830 20.677 1.00 0.00 H new ATOM 0 HA ARG A 31 26.505 -12.255 21.273 1.00 0.00 H new ATOM 0 HB2 ARG A 31 29.098 -12.390 21.556 1.00 0.00 H new ATOM 0 HB3 ARG A 31 29.141 -12.511 19.808 1.00 0.00 H new ATOM 0 HG2 ARG A 31 29.326 -10.236 19.999 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.578 -10.349 19.959 1.00 0.00 H new ATOM 0 HD2 ARG A 31 29.267 -10.243 22.491 1.00 0.00 H new ATOM 0 HD3 ARG A 31 28.404 -8.884 21.799 1.00 0.00 H new ATOM 0 HE ARG A 31 27.270 -11.069 23.369 1.00 0.00 H new ATOM 0 HH11 ARG A 31 26.623 -8.612 20.918 1.00 0.00 H new ATOM 0 HH12 ARG A 31 24.896 -8.537 21.283 1.00 0.00 H new ATOM 0 HH21 ARG A 31 25.049 -10.968 23.831 1.00 0.00 H new ATOM 0 HH22 ARG A 31 24.009 -9.864 22.924 1.00 0.00 H new ATOM 416 N LEU A 32 25.320 -12.803 19.125 1.00 0.00 N ATOM 417 CA LEU A 32 24.661 -12.864 17.825 1.00 0.00 C ATOM 418 C LEU A 32 23.830 -11.609 17.576 1.00 0.00 C ATOM 419 O LEU A 32 22.762 -11.432 18.164 1.00 0.00 O ATOM 420 CB LEU A 32 23.769 -14.105 17.741 1.00 0.00 C ATOM 421 CG LEU A 32 24.436 -15.435 18.093 1.00 0.00 C ATOM 422 CD1 LEU A 32 23.389 -16.474 18.466 1.00 0.00 C ATOM 423 CD2 LEU A 32 25.289 -15.928 16.934 1.00 0.00 C ATOM 0 H LEU A 32 24.687 -12.670 19.913 1.00 0.00 H new ATOM 0 HA LEU A 32 25.432 -12.925 17.057 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.917 -13.961 18.406 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.374 -14.176 16.728 1.00 0.00 H new ATOM 0 HG LEU A 32 25.086 -15.277 18.954 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.882 -17.414 18.714 1.00 0.00 H new ATOM 0 HD12 LEU A 32 22.820 -16.124 19.328 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.714 -16.629 17.624 1.00 0.00 H new ATOM 0 HD21 LEU A 32 25.756 -16.876 17.203 1.00 0.00 H new ATOM 0 HD22 LEU A 32 24.661 -16.070 16.054 1.00 0.00 H new ATOM 0 HD23 LEU A 32 26.062 -15.193 16.713 1.00 0.00 H new ATOM 435 N LEU A 33 24.326 -10.742 16.700 1.00 0.00 N ATOM 436 CA LEU A 33 23.629 -9.504 16.371 1.00 0.00 C ATOM 437 C LEU A 33 22.932 -9.614 15.019 1.00 0.00 C ATOM 438 O LEU A 33 23.537 -9.366 13.976 1.00 0.00 O ATOM 439 CB LEU A 33 24.610 -8.331 16.357 1.00 0.00 C ATOM 440 CG LEU A 33 24.927 -7.705 17.716 1.00 0.00 C ATOM 441 CD1 LEU A 33 26.242 -6.942 17.659 1.00 0.00 C ATOM 442 CD2 LEU A 33 23.796 -6.789 18.158 1.00 0.00 C ATOM 0 H LEU A 33 25.208 -10.874 16.205 1.00 0.00 H new ATOM 0 HA LEU A 33 22.873 -9.328 17.136 1.00 0.00 H new ATOM 0 HB2 LEU A 33 25.544 -8.670 15.909 1.00 0.00 H new ATOM 0 HB3 LEU A 33 24.207 -7.554 15.707 1.00 0.00 H new ATOM 0 HG LEU A 33 25.027 -8.506 18.449 1.00 0.00 H new ATOM 0 HD11 LEU A 33 26.451 -6.504 18.635 1.00 0.00 H new ATOM 0 HD12 LEU A 33 27.047 -7.625 17.388 1.00 0.00 H new ATOM 0 HD13 LEU A 33 26.171 -6.150 16.913 1.00 0.00 H new ATOM 0 HD21 LEU A 33 24.039 -6.352 19.127 1.00 0.00 H new ATOM 0 HD22 LEU A 33 23.664 -5.994 17.424 1.00 0.00 H new ATOM 0 HD23 LEU A 33 22.873 -7.364 18.240 1.00 0.00 H new ATOM 454 N ARG A 34 21.656 -9.987 15.045 1.00 0.00 N ATOM 455 CA ARG A 34 20.877 -10.129 13.821 1.00 0.00 C ATOM 456 C ARG A 34 19.385 -10.204 14.133 1.00 0.00 C ATOM 457 O ARG A 34 18.904 -11.193 14.685 1.00 0.00 O ATOM 458 CB ARG A 34 21.313 -11.380 13.056 1.00 0.00 C ATOM 459 CG ARG A 34 20.979 -11.334 11.574 1.00 0.00 C ATOM 460 CD ARG A 34 20.921 -12.730 10.973 1.00 0.00 C ATOM 461 NE ARG A 34 20.080 -12.778 9.780 1.00 0.00 N ATOM 462 CZ ARG A 34 20.152 -13.741 8.868 1.00 0.00 C ATOM 463 NH1 ARG A 34 21.023 -14.730 9.011 1.00 0.00 N ATOM 464 NH2 ARG A 34 19.352 -13.715 7.809 1.00 0.00 N ATOM 0 H ARG A 34 21.140 -10.196 15.900 1.00 0.00 H new ATOM 0 HA ARG A 34 21.058 -9.251 13.200 1.00 0.00 H new ATOM 0 HB2 ARG A 34 22.389 -11.511 13.174 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.835 -12.253 13.501 1.00 0.00 H new ATOM 0 HG2 ARG A 34 20.021 -10.835 11.431 1.00 0.00 H new ATOM 0 HG3 ARG A 34 21.728 -10.741 11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 34 21.929 -13.057 10.719 1.00 0.00 H new ATOM 0 HD3 ARG A 34 20.536 -13.429 11.716 1.00 0.00 H new ATOM 0 HE ARG A 34 19.400 -12.031 9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 34 21.640 -14.753 9.823 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.076 -15.468 8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.681 -12.955 7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 34 19.408 -14.455 7.109 1.00 0.00 H new ATOM 478 N VAL A 35 18.657 -9.151 13.775 1.00 0.00 N ATOM 479 CA VAL A 35 17.220 -9.097 14.015 1.00 0.00 C ATOM 480 C VAL A 35 16.537 -8.136 13.049 1.00 0.00 C ATOM 481 O VAL A 35 17.007 -7.020 12.830 1.00 0.00 O ATOM 482 CB VAL A 35 16.908 -8.663 15.460 1.00 0.00 C ATOM 483 CG1 VAL A 35 17.524 -7.304 15.754 1.00 0.00 C ATOM 484 CG2 VAL A 35 15.406 -8.640 15.696 1.00 0.00 C ATOM 0 H VAL A 35 19.039 -8.323 13.317 1.00 0.00 H new ATOM 0 HA VAL A 35 16.835 -10.104 13.855 1.00 0.00 H new ATOM 0 HB VAL A 35 17.349 -9.389 16.143 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.293 -7.014 16.779 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.605 -7.360 15.627 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.116 -6.563 15.067 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.204 -8.331 16.722 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.940 -7.936 15.006 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.996 -9.636 15.529 1.00 0.00 H new ATOM 494 N HIS A 36 15.423 -8.577 12.473 1.00 0.00 N ATOM 495 CA HIS A 36 14.672 -7.755 11.530 1.00 0.00 C ATOM 496 C HIS A 36 13.320 -8.388 11.214 1.00 0.00 C ATOM 497 O HIS A 36 13.238 -9.574 10.892 1.00 0.00 O ATOM 498 CB HIS A 36 15.472 -7.562 10.241 1.00 0.00 C ATOM 499 CG HIS A 36 14.965 -6.444 9.384 1.00 0.00 C ATOM 500 ND1 HIS A 36 13.725 -6.460 8.781 1.00 0.00 N ATOM 501 CD2 HIS A 36 15.538 -5.269 9.031 1.00 0.00 C ATOM 502 CE1 HIS A 36 13.558 -5.344 8.093 1.00 0.00 C ATOM 503 NE2 HIS A 36 14.643 -4.605 8.228 1.00 0.00 N ATOM 0 H HIS A 36 15.020 -9.499 12.643 1.00 0.00 H new ATOM 0 HA HIS A 36 14.499 -6.782 11.991 1.00 0.00 H new ATOM 0 HB2 HIS A 36 16.514 -7.370 10.495 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.449 -8.488 9.667 1.00 0.00 H new ATOM 0 HD1 HIS A 36 13.043 -7.215 8.854 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.516 -4.919 9.326 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.682 -5.081 7.518 1.00 0.00 H new ATOM 512 N HIS A 37 12.262 -7.589 11.309 1.00 0.00 N ATOM 513 CA HIS A 37 10.913 -8.071 11.034 1.00 0.00 C ATOM 514 C HIS A 37 10.200 -7.154 10.045 1.00 0.00 C ATOM 515 O HIS A 37 9.548 -7.620 9.112 1.00 0.00 O ATOM 516 CB HIS A 37 10.109 -8.167 12.330 1.00 0.00 C ATOM 517 CG HIS A 37 8.909 -9.057 12.226 1.00 0.00 C ATOM 518 ND1 HIS A 37 8.979 -10.431 12.328 1.00 0.00 N ATOM 519 CD2 HIS A 37 7.602 -8.763 12.029 1.00 0.00 C ATOM 520 CE1 HIS A 37 7.769 -10.943 12.196 1.00 0.00 C ATOM 521 NE2 HIS A 37 6.915 -9.952 12.015 1.00 0.00 N ATOM 0 H HIS A 37 12.313 -6.605 11.574 1.00 0.00 H new ATOM 0 HA HIS A 37 10.991 -9.064 10.590 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.758 -8.537 13.124 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.786 -7.168 12.622 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.179 -7.777 11.906 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.520 -11.993 12.230 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.908 -10.053 11.886 1.00 0.00 H new ATOM 530 N GLU A 38 10.328 -5.848 10.259 1.00 0.00 N ATOM 531 CA GLU A 38 9.694 -4.866 9.387 1.00 0.00 C ATOM 532 C GLU A 38 10.400 -3.517 9.482 1.00 0.00 C ATOM 533 O GLU A 38 10.491 -2.926 10.558 1.00 0.00 O ATOM 534 CB GLU A 38 8.216 -4.707 9.751 1.00 0.00 C ATOM 535 CG GLU A 38 7.970 -4.550 11.242 1.00 0.00 C ATOM 536 CD GLU A 38 6.497 -4.435 11.582 1.00 0.00 C ATOM 537 OE1 GLU A 38 5.737 -3.892 10.753 1.00 0.00 O ATOM 538 OE2 GLU A 38 6.104 -4.888 12.677 1.00 0.00 O ATOM 0 H GLU A 38 10.864 -5.446 11.028 1.00 0.00 H new ATOM 0 HA GLU A 38 9.772 -5.226 8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.814 -3.837 9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.666 -5.576 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.395 -5.405 11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.492 -3.663 11.601 1.00 0.00 H new ATOM 545 N SER A 39 10.900 -3.036 8.347 1.00 0.00 N ATOM 546 CA SER A 39 11.602 -1.759 8.302 1.00 0.00 C ATOM 547 C SER A 39 11.857 -1.330 6.861 1.00 0.00 C ATOM 548 O SER A 39 12.484 -2.053 6.087 1.00 0.00 O ATOM 549 CB SER A 39 12.928 -1.856 9.059 1.00 0.00 C ATOM 550 OG SER A 39 13.348 -0.582 9.517 1.00 0.00 O ATOM 0 H SER A 39 10.832 -3.512 7.447 1.00 0.00 H new ATOM 0 HA SER A 39 10.972 -1.009 8.780 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.818 -2.533 9.907 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.692 -2.282 8.408 1.00 0.00 H new ATOM 0 HG SER A 39 14.197 -0.671 9.999 1.00 0.00 H new ATOM 556 N ASP A 40 11.365 -0.147 6.507 1.00 0.00 N ATOM 557 CA ASP A 40 11.539 0.381 5.159 1.00 0.00 C ATOM 558 C ASP A 40 12.233 1.739 5.192 1.00 0.00 C ATOM 559 O ASP A 40 11.696 2.710 5.725 1.00 0.00 O ATOM 560 CB ASP A 40 10.185 0.503 4.457 1.00 0.00 C ATOM 561 CG ASP A 40 9.481 -0.832 4.320 1.00 0.00 C ATOM 562 OD1 ASP A 40 9.765 -1.739 5.130 1.00 0.00 O ATOM 563 OD2 ASP A 40 8.646 -0.970 3.402 1.00 0.00 O ATOM 0 H ASP A 40 10.843 0.464 7.135 1.00 0.00 H new ATOM 0 HA ASP A 40 12.167 -0.314 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.550 1.190 5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.330 0.937 3.468 1.00 0.00 H new ATOM 568 N THR A 41 13.432 1.799 4.621 1.00 0.00 N ATOM 569 CA THR A 41 14.202 3.036 4.587 1.00 0.00 C ATOM 570 C THR A 41 14.493 3.464 3.153 1.00 0.00 C ATOM 571 O THR A 41 15.298 2.840 2.462 1.00 0.00 O ATOM 572 CB THR A 41 15.533 2.891 5.348 1.00 0.00 C ATOM 573 OG1 THR A 41 15.285 2.457 6.690 1.00 0.00 O ATOM 574 CG2 THR A 41 16.291 4.209 5.369 1.00 0.00 C ATOM 0 H THR A 41 13.891 1.005 4.175 1.00 0.00 H new ATOM 0 HA THR A 41 13.595 3.799 5.075 1.00 0.00 H new ATOM 0 HB THR A 41 16.142 2.148 4.832 1.00 0.00 H new ATOM 0 HG1 THR A 41 16.136 2.366 7.167 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.227 4.082 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.504 4.523 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.686 4.969 5.863 1.00 0.00 H new ATOM 582 N GLU A 42 13.834 4.531 2.713 1.00 0.00 N ATOM 583 CA GLU A 42 14.024 5.041 1.360 1.00 0.00 C ATOM 584 C GLU A 42 14.354 6.531 1.382 1.00 0.00 C ATOM 585 O GLU A 42 13.903 7.289 0.524 1.00 0.00 O ATOM 586 CB GLU A 42 12.769 4.798 0.519 1.00 0.00 C ATOM 587 CG GLU A 42 12.389 3.331 0.403 1.00 0.00 C ATOM 588 CD GLU A 42 10.959 3.134 -0.062 1.00 0.00 C ATOM 589 OE1 GLU A 42 10.041 3.263 0.775 1.00 0.00 O ATOM 590 OE2 GLU A 42 10.758 2.851 -1.261 1.00 0.00 O ATOM 0 H GLU A 42 13.164 5.059 3.273 1.00 0.00 H new ATOM 0 HA GLU A 42 14.862 4.507 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.936 5.347 0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.927 5.204 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.065 2.838 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.522 2.847 1.371 1.00 0.00 H new ATOM 597 N GLU A 43 15.144 6.942 2.369 1.00 0.00 N ATOM 598 CA GLU A 43 15.534 8.340 2.503 1.00 0.00 C ATOM 599 C GLU A 43 16.148 8.861 1.206 1.00 0.00 C ATOM 600 O GLU A 43 15.892 9.993 0.796 1.00 0.00 O ATOM 601 CB GLU A 43 16.527 8.508 3.654 1.00 0.00 C ATOM 602 CG GLU A 43 15.913 8.284 5.026 1.00 0.00 C ATOM 603 CD GLU A 43 14.862 9.321 5.371 1.00 0.00 C ATOM 604 OE1 GLU A 43 15.235 10.398 5.881 1.00 0.00 O ATOM 605 OE2 GLU A 43 13.666 9.054 5.131 1.00 0.00 O ATOM 0 H GLU A 43 15.526 6.327 3.087 1.00 0.00 H new ATOM 0 HA GLU A 43 14.637 8.921 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.352 7.809 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.950 9.512 3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.464 7.291 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 43 16.700 8.305 5.780 1.00 0.00 H new ATOM 612 N ARG A 44 16.961 8.026 0.567 1.00 0.00 N ATOM 613 CA ARG A 44 17.614 8.401 -0.681 1.00 0.00 C ATOM 614 C ARG A 44 16.703 9.287 -1.526 1.00 0.00 C ATOM 615 O ARG A 44 17.055 10.418 -1.860 1.00 0.00 O ATOM 616 CB ARG A 44 18.004 7.152 -1.473 1.00 0.00 C ATOM 617 CG ARG A 44 19.076 6.312 -0.797 1.00 0.00 C ATOM 618 CD ARG A 44 19.786 5.408 -1.792 1.00 0.00 C ATOM 619 NE ARG A 44 20.911 6.080 -2.437 1.00 0.00 N ATOM 620 CZ ARG A 44 21.756 5.471 -3.262 1.00 0.00 C ATOM 621 NH1 ARG A 44 21.604 4.184 -3.540 1.00 0.00 N ATOM 622 NH2 ARG A 44 22.755 6.150 -3.809 1.00 0.00 N ATOM 0 H ARG A 44 17.183 7.085 0.893 1.00 0.00 H new ATOM 0 HA ARG A 44 18.515 8.964 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 44 17.117 6.538 -1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 44 18.358 7.453 -2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 44 19.803 6.966 -0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 44 18.624 5.706 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 44 20.143 4.515 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.077 5.078 -2.551 1.00 0.00 H new ATOM 0 HE ARG A 44 21.056 7.071 -2.244 1.00 0.00 H new ATOM 0 HH11 ARG A 44 20.837 3.659 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 44 22.254 3.719 -4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 44 22.875 7.140 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 44 23.403 5.682 -4.442 1.00 0.00 H new ATOM 636 N GLY A 45 15.529 8.765 -1.869 1.00 0.00 N ATOM 637 CA GLY A 45 14.587 9.522 -2.672 1.00 0.00 C ATOM 638 C GLY A 45 13.635 10.345 -1.827 1.00 0.00 C ATOM 639 O GLY A 45 13.465 11.542 -2.059 1.00 0.00 O ATOM 0 H GLY A 45 15.214 7.832 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.135 10.182 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.014 8.837 -3.297 1.00 0.00 H new ATOM 643 N PHE A 46 13.011 9.703 -0.845 1.00 0.00 N ATOM 644 CA PHE A 46 12.069 10.383 0.036 1.00 0.00 C ATOM 645 C PHE A 46 12.514 11.818 0.304 1.00 0.00 C ATOM 646 O PHE A 46 11.749 12.764 0.111 1.00 0.00 O ATOM 647 CB PHE A 46 11.934 9.623 1.357 1.00 0.00 C ATOM 648 CG PHE A 46 11.334 10.445 2.462 1.00 0.00 C ATOM 649 CD1 PHE A 46 12.109 11.348 3.171 1.00 0.00 C ATOM 650 CD2 PHE A 46 9.994 10.314 2.791 1.00 0.00 C ATOM 651 CE1 PHE A 46 11.559 12.104 4.189 1.00 0.00 C ATOM 652 CE2 PHE A 46 9.439 11.068 3.808 1.00 0.00 C ATOM 653 CZ PHE A 46 10.222 11.965 4.507 1.00 0.00 C ATOM 0 H PHE A 46 13.141 8.712 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 46 11.099 10.409 -0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.317 8.738 1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.918 9.273 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 46 13.155 11.463 2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.376 9.615 2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 46 12.174 12.803 4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.394 10.956 4.056 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.790 12.557 5.301 1.00 0.00 H new ATOM 663 N LEU A 47 13.755 11.972 0.751 1.00 0.00 N ATOM 664 CA LEU A 47 14.304 13.291 1.047 1.00 0.00 C ATOM 665 C LEU A 47 14.451 14.118 -0.226 1.00 0.00 C ATOM 666 O LEU A 47 13.891 15.208 -0.337 1.00 0.00 O ATOM 667 CB LEU A 47 15.661 13.156 1.741 1.00 0.00 C ATOM 668 CG LEU A 47 15.629 13.082 3.268 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.970 12.608 3.807 1.00 0.00 C ATOM 670 CD2 LEU A 47 15.262 14.434 3.860 1.00 0.00 C ATOM 0 H LEU A 47 14.401 11.200 0.917 1.00 0.00 H new ATOM 0 HA LEU A 47 13.611 13.805 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.152 12.259 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.281 14.004 1.451 1.00 0.00 H new ATOM 0 HG LEU A 47 14.867 12.361 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.929 12.561 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 47 17.192 11.618 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.751 13.305 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.244 14.362 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.001 15.176 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.278 14.734 3.500 1.00 0.00 H new ATOM 682 N GLU A 48 15.205 13.590 -1.185 1.00 0.00 N ATOM 683 CA GLU A 48 15.423 14.280 -2.451 1.00 0.00 C ATOM 684 C GLU A 48 14.110 14.819 -3.010 1.00 0.00 C ATOM 685 O GLU A 48 13.920 16.031 -3.121 1.00 0.00 O ATOM 686 CB GLU A 48 16.073 13.336 -3.466 1.00 0.00 C ATOM 687 CG GLU A 48 17.592 13.346 -3.420 1.00 0.00 C ATOM 688 CD GLU A 48 18.206 12.190 -4.185 1.00 0.00 C ATOM 689 OE1 GLU A 48 17.664 11.830 -5.251 1.00 0.00 O ATOM 690 OE2 GLU A 48 19.227 11.644 -3.718 1.00 0.00 O ATOM 0 H GLU A 48 15.675 12.688 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 48 16.092 15.121 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.719 12.321 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.746 13.613 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.958 14.286 -3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.921 13.305 -2.382 1.00 0.00 H new ATOM 697 N LYS A 49 13.206 13.911 -3.362 1.00 0.00 N ATOM 698 CA LYS A 49 11.910 14.293 -3.909 1.00 0.00 C ATOM 699 C LYS A 49 11.412 15.588 -3.275 1.00 0.00 C ATOM 700 O LYS A 49 10.862 16.453 -3.957 1.00 0.00 O ATOM 701 CB LYS A 49 10.888 13.177 -3.682 1.00 0.00 C ATOM 702 CG LYS A 49 9.864 13.054 -4.798 1.00 0.00 C ATOM 703 CD LYS A 49 9.418 11.614 -4.989 1.00 0.00 C ATOM 704 CE LYS A 49 10.525 10.763 -5.592 1.00 0.00 C ATOM 705 NZ LYS A 49 10.472 10.758 -7.081 1.00 0.00 N ATOM 0 H LYS A 49 13.348 12.904 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 49 12.030 14.455 -4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.415 12.229 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.368 13.358 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.999 13.677 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.291 13.430 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.117 11.195 -4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.542 11.586 -5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.493 11.141 -5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.440 9.741 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.424 10.927 -7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.125 9.836 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.830 11.508 -7.408 1.00 0.00 H new ATOM 719 N ALA A 50 11.611 15.716 -1.967 1.00 0.00 N ATOM 720 CA ALA A 50 11.185 16.907 -1.243 1.00 0.00 C ATOM 721 C ALA A 50 12.113 18.083 -1.527 1.00 0.00 C ATOM 722 O ALA A 50 11.659 19.207 -1.743 1.00 0.00 O ATOM 723 CB ALA A 50 11.130 16.625 0.251 1.00 0.00 C ATOM 0 H ALA A 50 12.064 15.010 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 50 10.186 17.174 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.810 17.523 0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.421 15.819 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.119 16.330 0.602 1.00 0.00 H new ATOM 729 N ALA A 51 13.415 17.818 -1.524 1.00 0.00 N ATOM 730 CA ALA A 51 14.407 18.854 -1.783 1.00 0.00 C ATOM 731 C ALA A 51 14.320 19.350 -3.222 1.00 0.00 C ATOM 732 O ALA A 51 14.133 20.541 -3.469 1.00 0.00 O ATOM 733 CB ALA A 51 15.805 18.333 -1.486 1.00 0.00 C ATOM 0 H ALA A 51 13.808 16.894 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 51 14.197 19.696 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.535 19.118 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 51 15.867 18.035 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.015 17.473 -2.121 1.00 0.00 H new ATOM 739 N VAL A 52 14.459 18.429 -4.170 1.00 0.00 N ATOM 740 CA VAL A 52 14.395 18.772 -5.586 1.00 0.00 C ATOM 741 C VAL A 52 13.144 19.585 -5.899 1.00 0.00 C ATOM 742 O VAL A 52 13.211 20.615 -6.571 1.00 0.00 O ATOM 743 CB VAL A 52 14.409 17.512 -6.471 1.00 0.00 C ATOM 744 CG1 VAL A 52 14.370 17.892 -7.943 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.632 16.660 -6.165 1.00 0.00 C ATOM 0 H VAL A 52 14.617 17.439 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 52 15.279 19.371 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 52 13.519 16.924 -6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.381 16.988 -8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.461 18.458 -8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.240 18.503 -8.184 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.626 15.774 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.536 17.238 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.612 16.357 -5.118 1.00 0.00 H new ATOM 755 N LYS A 53 12.002 19.117 -5.406 1.00 0.00 N ATOM 756 CA LYS A 53 10.734 19.800 -5.630 1.00 0.00 C ATOM 757 C LYS A 53 10.709 21.148 -4.916 1.00 0.00 C ATOM 758 O LYS A 53 10.326 22.164 -5.498 1.00 0.00 O ATOM 759 CB LYS A 53 9.571 18.932 -5.145 1.00 0.00 C ATOM 760 CG LYS A 53 9.100 17.917 -6.172 1.00 0.00 C ATOM 761 CD LYS A 53 7.666 17.486 -5.914 1.00 0.00 C ATOM 762 CE LYS A 53 6.672 18.497 -6.465 1.00 0.00 C ATOM 763 NZ LYS A 53 5.336 18.368 -5.821 1.00 0.00 N ATOM 0 H LYS A 53 11.929 18.266 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 53 10.627 19.974 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.874 18.406 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.735 19.577 -4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.178 18.346 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.753 17.044 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.489 16.513 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.508 17.366 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.055 19.505 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.571 18.358 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.594 18.421 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.274 17.453 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.205 19.139 -5.135 1.00 0.00 H new ATOM 777 N LYS A 54 11.120 21.151 -3.653 1.00 0.00 N ATOM 778 CA LYS A 54 11.147 22.374 -2.859 1.00 0.00 C ATOM 779 C LYS A 54 11.733 23.531 -3.663 1.00 0.00 C ATOM 780 O LYS A 54 11.110 24.584 -3.797 1.00 0.00 O ATOM 781 CB LYS A 54 11.965 22.160 -1.583 1.00 0.00 C ATOM 782 CG LYS A 54 11.141 21.657 -0.411 1.00 0.00 C ATOM 783 CD LYS A 54 12.005 20.933 0.608 1.00 0.00 C ATOM 784 CE LYS A 54 12.738 21.911 1.513 1.00 0.00 C ATOM 785 NZ LYS A 54 13.104 21.293 2.817 1.00 0.00 N ATOM 0 H LYS A 54 11.439 20.319 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 54 10.121 22.625 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.763 21.447 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.442 23.100 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.638 22.497 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.364 20.985 -0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.382 20.274 1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.728 20.302 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.640 22.263 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.110 22.784 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.602 21.992 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.242 20.980 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.725 20.475 2.651 1.00 0.00 H new ATOM 799 N MET A 55 12.933 23.327 -4.196 1.00 0.00 N ATOM 800 CA MET A 55 13.600 24.353 -4.989 1.00 0.00 C ATOM 801 C MET A 55 12.686 24.864 -6.098 1.00 0.00 C ATOM 802 O MET A 55 12.557 26.071 -6.303 1.00 0.00 O ATOM 803 CB MET A 55 14.893 23.801 -5.592 1.00 0.00 C ATOM 804 CG MET A 55 15.857 23.244 -4.557 1.00 0.00 C ATOM 805 SD MET A 55 17.004 24.488 -3.935 1.00 0.00 S ATOM 806 CE MET A 55 18.574 23.773 -4.419 1.00 0.00 C ATOM 0 H MET A 55 13.463 22.462 -4.093 1.00 0.00 H new ATOM 0 HA MET A 55 13.842 25.186 -4.329 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.645 23.015 -6.305 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.391 24.593 -6.151 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.290 22.830 -3.724 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.422 22.423 -4.998 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.380 24.261 -3.871 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.574 22.707 -4.192 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.724 23.916 -5.489 1.00 0.00 H new ATOM 816 N ALA A 56 12.054 23.938 -6.811 1.00 0.00 N ATOM 817 CA ALA A 56 11.150 24.295 -7.898 1.00 0.00 C ATOM 818 C ALA A 56 10.070 25.259 -7.420 1.00 0.00 C ATOM 819 O ALA A 56 9.834 26.298 -8.036 1.00 0.00 O ATOM 820 CB ALA A 56 10.519 23.044 -8.492 1.00 0.00 C ATOM 0 H ALA A 56 12.151 22.935 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 56 11.732 24.797 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.846 23.325 -9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.301 22.391 -8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.957 22.518 -7.720 1.00 0.00 H new ATOM 826 N LYS A 57 9.416 24.908 -6.318 1.00 0.00 N ATOM 827 CA LYS A 57 8.361 25.741 -5.755 1.00 0.00 C ATOM 828 C LYS A 57 8.799 27.201 -5.687 1.00 0.00 C ATOM 829 O LYS A 57 8.096 28.093 -6.161 1.00 0.00 O ATOM 830 CB LYS A 57 7.981 25.246 -4.358 1.00 0.00 C ATOM 831 CG LYS A 57 7.035 24.058 -4.370 1.00 0.00 C ATOM 832 CD LYS A 57 6.330 23.892 -3.034 1.00 0.00 C ATOM 833 CE LYS A 57 7.292 23.430 -1.951 1.00 0.00 C ATOM 834 NZ LYS A 57 6.602 23.226 -0.647 1.00 0.00 N ATOM 0 H LYS A 57 9.599 24.051 -5.797 1.00 0.00 H new ATOM 0 HA LYS A 57 7.490 25.670 -6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.888 24.972 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.517 26.063 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.295 24.189 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.592 23.151 -4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.877 24.839 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.520 23.169 -3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.767 22.499 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.085 24.168 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.292 22.911 0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.170 24.121 -0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.862 22.503 -0.755 1.00 0.00 H new ATOM 848 N ALA A 58 9.965 27.437 -5.094 1.00 0.00 N ATOM 849 CA ALA A 58 10.497 28.788 -4.968 1.00 0.00 C ATOM 850 C ALA A 58 10.629 29.456 -6.332 1.00 0.00 C ATOM 851 O ALA A 58 10.488 30.674 -6.453 1.00 0.00 O ATOM 852 CB ALA A 58 11.844 28.760 -4.259 1.00 0.00 C ATOM 0 H ALA A 58 10.559 26.710 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 58 9.797 29.374 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.230 29.775 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.723 28.331 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.545 28.154 -4.833 1.00 0.00 H new ATOM 858 N ILE A 59 10.901 28.653 -7.355 1.00 0.00 N ATOM 859 CA ILE A 59 11.051 29.168 -8.710 1.00 0.00 C ATOM 860 C ILE A 59 9.714 29.642 -9.270 1.00 0.00 C ATOM 861 O ILE A 59 9.629 30.704 -9.886 1.00 0.00 O ATOM 862 CB ILE A 59 11.642 28.105 -9.655 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.008 27.641 -9.145 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.757 28.656 -11.068 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.695 26.658 -10.066 1.00 0.00 C ATOM 0 H ILE A 59 11.022 27.644 -7.271 1.00 0.00 H new ATOM 0 HA ILE A 59 11.738 30.012 -8.651 1.00 0.00 H new ATOM 0 HB ILE A 59 10.972 27.246 -9.675 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.651 28.511 -9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 59 12.884 27.182 -8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.176 27.893 -11.723 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.769 28.941 -11.429 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.408 29.530 -11.066 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.657 26.373 -9.641 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.072 25.771 -10.181 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.851 27.121 -11.040 1.00 0.00 H new ATOM 877 N MET A 60 8.671 28.848 -9.049 1.00 0.00 N ATOM 878 CA MET A 60 7.337 29.188 -9.529 1.00 0.00 C ATOM 879 C MET A 60 7.080 30.686 -9.405 1.00 0.00 C ATOM 880 O MET A 60 6.671 31.337 -10.367 1.00 0.00 O ATOM 881 CB MET A 60 6.277 28.410 -8.746 1.00 0.00 C ATOM 882 CG MET A 60 6.398 26.902 -8.893 1.00 0.00 C ATOM 883 SD MET A 60 4.863 26.041 -8.499 1.00 0.00 S ATOM 884 CE MET A 60 4.842 24.786 -9.777 1.00 0.00 C ATOM 0 H MET A 60 8.724 27.965 -8.541 1.00 0.00 H new ATOM 0 HA MET A 60 7.276 28.913 -10.582 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.352 28.671 -7.690 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.288 28.721 -9.082 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.692 26.663 -9.915 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.192 26.540 -8.240 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.097 25.045 -10.529 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.824 24.727 -10.245 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.592 23.821 -9.335 1.00 0.00 H new ATOM 894 N ALA A 61 7.322 31.227 -8.216 1.00 0.00 N ATOM 895 CA ALA A 61 7.119 32.649 -7.968 1.00 0.00 C ATOM 896 C ALA A 61 8.360 33.454 -8.336 1.00 0.00 C ATOM 897 O ALA A 61 8.260 34.567 -8.852 1.00 0.00 O ATOM 898 CB ALA A 61 6.749 32.883 -6.510 1.00 0.00 C ATOM 0 H ALA A 61 7.659 30.702 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 61 6.298 32.989 -8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.600 33.949 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.829 32.346 -6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.552 32.521 -5.868 1.00 0.00 H new ATOM 904 N ASP A 62 9.530 32.885 -8.067 1.00 0.00 N ATOM 905 CA ASP A 62 10.792 33.549 -8.370 1.00 0.00 C ATOM 906 C ASP A 62 11.475 32.898 -9.569 1.00 0.00 C ATOM 907 O ASP A 62 12.331 32.024 -9.427 1.00 0.00 O ATOM 908 CB ASP A 62 11.719 33.509 -7.155 1.00 0.00 C ATOM 909 CG ASP A 62 11.437 34.631 -6.174 1.00 0.00 C ATOM 910 OD1 ASP A 62 11.412 35.802 -6.605 1.00 0.00 O ATOM 911 OD2 ASP A 62 11.243 34.337 -4.976 1.00 0.00 O ATOM 0 H ASP A 62 9.630 31.964 -7.639 1.00 0.00 H new ATOM 0 HA ASP A 62 10.576 34.588 -8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.608 32.551 -6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.754 33.574 -7.489 1.00 0.00 H new ATOM 916 N PRO A 63 11.088 33.330 -10.778 1.00 0.00 N ATOM 917 CA PRO A 63 11.650 32.801 -12.025 1.00 0.00 C ATOM 918 C PRO A 63 13.101 33.222 -12.230 1.00 0.00 C ATOM 919 O PRO A 63 13.827 32.617 -13.018 1.00 0.00 O ATOM 920 CB PRO A 63 10.757 33.416 -13.105 1.00 0.00 C ATOM 921 CG PRO A 63 10.220 34.661 -12.489 1.00 0.00 C ATOM 922 CD PRO A 63 10.073 34.368 -11.022 1.00 0.00 C ATOM 0 HA PRO A 63 11.666 31.711 -12.036 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.324 33.635 -14.010 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.954 32.736 -13.389 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.896 35.500 -12.653 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.261 34.933 -12.931 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.252 35.256 -10.415 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.070 34.014 -10.781 1.00 0.00 H new ATOM 930 N ASN A 64 13.518 34.262 -11.516 1.00 0.00 N ATOM 931 CA ASN A 64 14.884 34.764 -11.621 1.00 0.00 C ATOM 932 C ASN A 64 15.853 33.866 -10.858 1.00 0.00 C ATOM 933 O ASN A 64 17.068 33.956 -11.032 1.00 0.00 O ATOM 934 CB ASN A 64 14.966 36.194 -11.084 1.00 0.00 C ATOM 935 CG ASN A 64 14.090 36.406 -9.865 1.00 0.00 C ATOM 936 OD1 ASN A 64 12.863 36.390 -9.958 1.00 0.00 O ATOM 937 ND2 ASN A 64 14.719 36.605 -8.712 1.00 0.00 N ATOM 0 H ASN A 64 12.930 34.774 -10.858 1.00 0.00 H new ATOM 0 HA ASN A 64 15.166 34.762 -12.674 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.000 36.424 -10.829 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.668 36.891 -11.867 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.182 36.753 -7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.739 36.610 -8.682 1.00 0.00 H new ATOM 944 N LYS A 65 15.307 32.999 -10.012 1.00 0.00 N ATOM 945 CA LYS A 65 16.121 32.082 -9.223 1.00 0.00 C ATOM 946 C LYS A 65 16.433 30.815 -10.012 1.00 0.00 C ATOM 947 O LYS A 65 17.487 30.205 -9.834 1.00 0.00 O ATOM 948 CB LYS A 65 15.403 31.721 -7.921 1.00 0.00 C ATOM 949 CG LYS A 65 15.628 32.725 -6.804 1.00 0.00 C ATOM 950 CD LYS A 65 16.876 32.396 -6.001 1.00 0.00 C ATOM 951 CE LYS A 65 16.623 31.263 -5.018 1.00 0.00 C ATOM 952 NZ LYS A 65 16.080 31.761 -3.725 1.00 0.00 N ATOM 0 H LYS A 65 14.303 32.912 -9.855 1.00 0.00 H new ATOM 0 HA LYS A 65 17.060 32.582 -8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.334 31.641 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.741 30.739 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.719 33.726 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.761 32.736 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.683 32.118 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.206 33.283 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.923 30.552 -5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.553 30.724 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.921 30.958 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.759 32.420 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.179 32.253 -3.893 1.00 0.00 H new ATOM 966 N ALA A 66 15.510 30.425 -10.885 1.00 0.00 N ATOM 967 CA ALA A 66 15.688 29.232 -11.704 1.00 0.00 C ATOM 968 C ALA A 66 17.155 29.032 -12.070 1.00 0.00 C ATOM 969 O ALA A 66 17.767 28.030 -11.699 1.00 0.00 O ATOM 970 CB ALA A 66 14.836 29.322 -12.961 1.00 0.00 C ATOM 0 H ALA A 66 14.631 30.918 -11.043 1.00 0.00 H new ATOM 0 HA ALA A 66 15.365 28.370 -11.121 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.979 28.424 -13.563 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.786 29.409 -12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.132 30.197 -13.539 1.00 0.00 H new ATOM 976 N ASP A 67 17.713 29.990 -12.802 1.00 0.00 N ATOM 977 CA ASP A 67 19.109 29.919 -13.218 1.00 0.00 C ATOM 978 C ASP A 67 19.999 29.474 -12.062 1.00 0.00 C ATOM 979 O ASP A 67 20.723 28.485 -12.170 1.00 0.00 O ATOM 980 CB ASP A 67 19.576 31.278 -13.744 1.00 0.00 C ATOM 981 CG ASP A 67 18.878 32.435 -13.057 1.00 0.00 C ATOM 982 OD1 ASP A 67 17.779 32.818 -13.509 1.00 0.00 O ATOM 983 OD2 ASP A 67 19.432 32.958 -12.067 1.00 0.00 O ATOM 0 H ASP A 67 17.220 30.825 -13.120 1.00 0.00 H new ATOM 0 HA ASP A 67 19.187 29.182 -14.017 1.00 0.00 H new ATOM 0 HB2 ASP A 67 20.653 31.370 -13.600 1.00 0.00 H new ATOM 0 HB3 ASP A 67 19.392 31.332 -14.817 1.00 0.00 H new ATOM 988 N GLU A 68 19.941 30.213 -10.958 1.00 0.00 N ATOM 989 CA GLU A 68 20.743 29.894 -9.784 1.00 0.00 C ATOM 990 C GLU A 68 20.542 28.440 -9.365 1.00 0.00 C ATOM 991 O GLU A 68 21.504 27.724 -9.087 1.00 0.00 O ATOM 992 CB GLU A 68 20.383 30.825 -8.624 1.00 0.00 C ATOM 993 CG GLU A 68 21.195 30.572 -7.365 1.00 0.00 C ATOM 994 CD GLU A 68 22.530 31.290 -7.378 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.534 32.537 -7.420 1.00 0.00 O ATOM 996 OE2 GLU A 68 23.573 30.602 -7.347 1.00 0.00 O ATOM 0 H GLU A 68 19.347 31.036 -10.853 1.00 0.00 H new ATOM 0 HA GLU A 68 21.792 30.037 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.530 31.858 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.324 30.710 -8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.621 30.895 -6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.364 29.501 -7.255 1.00 0.00 H new ATOM 1003 N VAL A 69 19.284 28.012 -9.322 1.00 0.00 N ATOM 1004 CA VAL A 69 18.956 26.644 -8.938 1.00 0.00 C ATOM 1005 C VAL A 69 19.610 25.637 -9.877 1.00 0.00 C ATOM 1006 O VAL A 69 20.431 24.823 -9.457 1.00 0.00 O ATOM 1007 CB VAL A 69 17.433 26.413 -8.935 1.00 0.00 C ATOM 1008 CG1 VAL A 69 17.118 24.928 -8.835 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.780 27.183 -7.797 1.00 0.00 C ATOM 0 H VAL A 69 18.476 28.592 -9.548 1.00 0.00 H new ATOM 0 HA VAL A 69 19.341 26.497 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 69 17.025 26.784 -9.875 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.037 24.785 -8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.553 24.406 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.538 24.528 -7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.704 27.008 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.191 26.845 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.976 28.248 -7.919 1.00 0.00 H new ATOM 1019 N TYR A 70 19.240 25.699 -11.152 1.00 0.00 N ATOM 1020 CA TYR A 70 19.789 24.791 -12.152 1.00 0.00 C ATOM 1021 C TYR A 70 21.256 24.486 -11.863 1.00 0.00 C ATOM 1022 O TYR A 70 21.684 23.332 -11.910 1.00 0.00 O ATOM 1023 CB TYR A 70 19.648 25.393 -13.550 1.00 0.00 C ATOM 1024 CG TYR A 70 18.223 25.745 -13.917 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.155 25.007 -13.421 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.946 26.813 -14.761 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.853 25.324 -13.754 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.646 27.138 -15.097 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.603 26.391 -14.592 1.00 0.00 C ATOM 1030 OH TYR A 70 14.307 26.710 -14.926 1.00 0.00 O ATOM 0 H TYR A 70 18.562 26.368 -11.517 1.00 0.00 H new ATOM 0 HA TYR A 70 19.227 23.858 -12.107 1.00 0.00 H new ATOM 0 HB2 TYR A 70 20.263 26.291 -13.614 1.00 0.00 H new ATOM 0 HB3 TYR A 70 20.039 24.686 -14.282 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.347 24.171 -12.764 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.760 27.399 -15.161 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.034 24.740 -13.360 1.00 0.00 H new ATOM 0 HE2 TYR A 70 16.448 27.973 -15.752 1.00 0.00 H new ATOM 0 HH TYR A 70 14.305 27.487 -15.523 1.00 0.00 H new ATOM 1040 N LYS A 71 22.022 25.529 -11.563 1.00 0.00 N ATOM 1041 CA LYS A 71 23.441 25.375 -11.265 1.00 0.00 C ATOM 1042 C LYS A 71 23.646 24.497 -10.035 1.00 0.00 C ATOM 1043 O LYS A 71 24.516 23.625 -10.019 1.00 0.00 O ATOM 1044 CB LYS A 71 24.087 26.744 -11.040 1.00 0.00 C ATOM 1045 CG LYS A 71 24.639 27.372 -12.308 1.00 0.00 C ATOM 1046 CD LYS A 71 23.563 28.125 -13.072 1.00 0.00 C ATOM 1047 CE LYS A 71 23.460 29.571 -12.609 1.00 0.00 C ATOM 1048 NZ LYS A 71 22.972 30.467 -13.694 1.00 0.00 N ATOM 0 H LYS A 71 21.684 26.490 -11.520 1.00 0.00 H new ATOM 0 HA LYS A 71 23.916 24.891 -12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.349 27.417 -10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.894 26.641 -10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.451 28.054 -12.054 1.00 0.00 H new ATOM 0 HG3 LYS A 71 25.063 26.596 -12.945 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.786 28.098 -14.139 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.602 27.628 -12.935 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.784 29.632 -11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 71 24.437 29.913 -12.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.690 31.382 -13.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.731 30.616 -14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.153 30.030 -14.163 1.00 0.00 H new ATOM 1062 N LYS A 72 22.840 24.730 -9.005 1.00 0.00 N ATOM 1063 CA LYS A 72 22.930 23.959 -7.771 1.00 0.00 C ATOM 1064 C LYS A 72 22.666 22.480 -8.033 1.00 0.00 C ATOM 1065 O LYS A 72 23.411 21.615 -7.572 1.00 0.00 O ATOM 1066 CB LYS A 72 21.933 24.491 -6.739 1.00 0.00 C ATOM 1067 CG LYS A 72 22.282 25.872 -6.212 1.00 0.00 C ATOM 1068 CD LYS A 72 21.393 26.264 -5.044 1.00 0.00 C ATOM 1069 CE LYS A 72 21.907 27.515 -4.347 1.00 0.00 C ATOM 1070 NZ LYS A 72 20.858 28.150 -3.502 1.00 0.00 N ATOM 0 H LYS A 72 22.116 25.448 -9.001 1.00 0.00 H new ATOM 0 HA LYS A 72 23.941 24.065 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.940 24.523 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.882 23.794 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.326 25.890 -5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.177 26.605 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.377 26.436 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.345 25.442 -4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.766 27.258 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.254 28.230 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.248 28.999 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.048 28.418 -4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.545 27.477 -2.774 1.00 0.00 H new ATOM 1084 N TRP A 73 21.603 22.197 -8.777 1.00 0.00 N ATOM 1085 CA TRP A 73 21.242 20.821 -9.102 1.00 0.00 C ATOM 1086 C TRP A 73 22.387 20.112 -9.816 1.00 0.00 C ATOM 1087 O TRP A 73 22.997 19.193 -9.270 1.00 0.00 O ATOM 1088 CB TRP A 73 19.986 20.794 -9.974 1.00 0.00 C ATOM 1089 CG TRP A 73 18.716 20.938 -9.191 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.511 20.583 -7.889 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.474 21.474 -9.663 1.00 0.00 C ATOM 1092 NE1 TRP A 73 17.217 20.865 -7.522 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.561 21.414 -8.592 1.00 0.00 C ATOM 1094 CE3 TRP A 73 17.046 22.001 -10.884 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.247 21.859 -8.709 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.742 22.443 -10.998 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.855 22.370 -9.916 1.00 0.00 C ATOM 0 H TRP A 73 20.976 22.901 -9.167 1.00 0.00 H new ATOM 0 HA TRP A 73 21.039 20.295 -8.169 1.00 0.00 H new ATOM 0 HB2 TRP A 73 20.045 21.597 -10.708 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.958 19.856 -10.529 1.00 0.00 H new ATOM 0 HD1 TRP A 73 19.256 20.145 -7.242 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.811 20.693 -6.602 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.722 22.062 -11.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.561 21.803 -7.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.401 22.852 -11.937 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.842 22.724 -10.037 1.00 0.00 H new ATOM 1108 N ALA A 74 22.674 20.545 -11.039 1.00 0.00 N ATOM 1109 CA ALA A 74 23.748 19.952 -11.827 1.00 0.00 C ATOM 1110 C ALA A 74 24.972 19.671 -10.962 1.00 0.00 C ATOM 1111 O ALA A 74 25.676 18.682 -11.168 1.00 0.00 O ATOM 1112 CB ALA A 74 24.117 20.864 -12.987 1.00 0.00 C ATOM 0 H ALA A 74 22.178 21.304 -11.506 1.00 0.00 H new ATOM 0 HA ALA A 74 23.391 19.002 -12.226 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.920 20.409 -13.567 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.246 21.010 -13.626 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.450 21.827 -12.601 1.00 0.00 H new ATOM 1118 N ASP A 75 25.221 20.548 -9.995 1.00 0.00 N ATOM 1119 CA ASP A 75 26.361 20.394 -9.098 1.00 0.00 C ATOM 1120 C ASP A 75 26.196 19.160 -8.216 1.00 0.00 C ATOM 1121 O ASP A 75 27.140 18.395 -8.017 1.00 0.00 O ATOM 1122 CB ASP A 75 26.523 21.640 -8.227 1.00 0.00 C ATOM 1123 CG ASP A 75 27.902 21.736 -7.605 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.852 22.117 -8.321 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.032 21.431 -6.401 1.00 0.00 O ATOM 0 H ASP A 75 24.649 21.373 -9.812 1.00 0.00 H new ATOM 0 HA ASP A 75 27.256 20.266 -9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.337 22.528 -8.831 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.772 21.628 -7.438 1.00 0.00 H new ATOM 1130 N LYS A 76 24.991 18.972 -7.690 1.00 0.00 N ATOM 1131 CA LYS A 76 24.700 17.831 -6.829 1.00 0.00 C ATOM 1132 C LYS A 76 24.967 16.518 -7.558 1.00 0.00 C ATOM 1133 O LYS A 76 25.527 15.583 -6.988 1.00 0.00 O ATOM 1134 CB LYS A 76 23.245 17.879 -6.357 1.00 0.00 C ATOM 1135 CG LYS A 76 22.901 19.134 -5.573 1.00 0.00 C ATOM 1136 CD LYS A 76 23.304 19.007 -4.114 1.00 0.00 C ATOM 1137 CE LYS A 76 22.403 19.839 -3.213 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.000 20.039 -1.864 1.00 0.00 N ATOM 0 H LYS A 76 24.199 19.596 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 76 25.358 17.885 -5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.588 17.811 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.044 17.006 -5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.406 19.992 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.830 19.324 -5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.257 17.961 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.339 19.327 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.221 20.808 -3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.436 19.347 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.356 20.610 -1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 23.150 19.115 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 23.911 20.531 -1.957 1.00 0.00 H new ATOM 1152 N GLY A 77 24.561 16.456 -8.823 1.00 0.00 N ATOM 1153 CA GLY A 77 24.767 15.253 -9.609 1.00 0.00 C ATOM 1154 C GLY A 77 23.462 14.593 -10.009 1.00 0.00 C ATOM 1155 O GLY A 77 23.358 13.366 -10.021 1.00 0.00 O ATOM 0 H GLY A 77 24.094 17.216 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.335 15.501 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.368 14.546 -9.036 1.00 0.00 H new ATOM 1159 N TYR A 78 22.464 15.406 -10.335 1.00 0.00 N ATOM 1160 CA TYR A 78 21.159 14.893 -10.733 1.00 0.00 C ATOM 1161 C TYR A 78 21.086 14.703 -12.245 1.00 0.00 C ATOM 1162 O TYR A 78 22.015 15.055 -12.973 1.00 0.00 O ATOM 1163 CB TYR A 78 20.052 15.845 -10.274 1.00 0.00 C ATOM 1164 CG TYR A 78 19.906 15.923 -8.771 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.447 14.833 -8.041 1.00 0.00 C ATOM 1166 CD2 TYR A 78 20.224 17.086 -8.082 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.311 14.900 -6.668 1.00 0.00 C ATOM 1168 CE2 TYR A 78 20.092 17.161 -6.709 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.635 16.066 -6.006 1.00 0.00 C ATOM 1170 OH TYR A 78 19.501 16.137 -4.639 1.00 0.00 O ATOM 0 H TYR A 78 22.534 16.424 -10.331 1.00 0.00 H new ATOM 0 HA TYR A 78 21.017 13.923 -10.256 1.00 0.00 H new ATOM 0 HB2 TYR A 78 20.257 16.842 -10.663 1.00 0.00 H new ATOM 0 HB3 TYR A 78 19.105 15.523 -10.707 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.192 13.918 -8.556 1.00 0.00 H new ATOM 0 HD2 TYR A 78 20.581 17.946 -8.629 1.00 0.00 H new ATOM 0 HE1 TYR A 78 18.953 14.044 -6.116 1.00 0.00 H new ATOM 0 HE2 TYR A 78 20.345 18.073 -6.189 1.00 0.00 H new ATOM 0 HH TYR A 78 19.772 17.026 -4.330 1.00 0.00 H new ATOM 1180 N THR A 79 19.975 14.142 -12.712 1.00 0.00 N ATOM 1181 CA THR A 79 19.779 13.903 -14.136 1.00 0.00 C ATOM 1182 C THR A 79 18.296 13.824 -14.481 1.00 0.00 C ATOM 1183 O THR A 79 17.467 13.495 -13.632 1.00 0.00 O ATOM 1184 CB THR A 79 20.470 12.603 -14.588 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.155 12.331 -15.958 1.00 0.00 O ATOM 1186 CG2 THR A 79 20.036 11.430 -13.721 1.00 0.00 C ATOM 0 H THR A 79 19.197 13.845 -12.124 1.00 0.00 H new ATOM 0 HA THR A 79 20.227 14.746 -14.663 1.00 0.00 H new ATOM 0 HB THR A 79 21.547 12.735 -14.482 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.600 11.504 -16.238 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.537 10.523 -14.059 1.00 0.00 H new ATOM 0 HG22 THR A 79 20.303 11.627 -12.683 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.957 11.299 -13.800 1.00 0.00 H new ATOM 1194 N LEU A 80 17.968 14.126 -15.733 1.00 0.00 N ATOM 1195 CA LEU A 80 16.584 14.088 -16.191 1.00 0.00 C ATOM 1196 C LEU A 80 15.819 12.950 -15.522 1.00 0.00 C ATOM 1197 O LEU A 80 14.740 13.155 -14.965 1.00 0.00 O ATOM 1198 CB LEU A 80 16.534 13.926 -17.711 1.00 0.00 C ATOM 1199 CG LEU A 80 17.397 14.896 -18.519 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.263 14.617 -20.008 1.00 0.00 C ATOM 1201 CD2 LEU A 80 17.014 16.336 -18.207 1.00 0.00 C ATOM 0 H LEU A 80 18.642 14.400 -16.448 1.00 0.00 H new ATOM 0 HA LEU A 80 16.110 15.030 -15.916 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.838 12.909 -17.958 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.499 14.037 -18.034 1.00 0.00 H new ATOM 0 HG LEU A 80 18.439 14.748 -18.236 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.884 15.317 -20.567 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.587 13.597 -20.218 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.222 14.736 -20.308 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.638 17.013 -18.791 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.967 16.497 -18.462 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.163 16.530 -17.145 1.00 0.00 H new ATOM 1213 N THR A 81 16.387 11.749 -15.578 1.00 0.00 N ATOM 1214 CA THR A 81 15.760 10.578 -14.976 1.00 0.00 C ATOM 1215 C THR A 81 15.246 10.889 -13.575 1.00 0.00 C ATOM 1216 O THR A 81 14.038 10.946 -13.347 1.00 0.00 O ATOM 1217 CB THR A 81 16.741 9.393 -14.900 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.208 9.058 -16.211 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.076 8.180 -14.267 1.00 0.00 C ATOM 0 H THR A 81 17.280 11.562 -16.034 1.00 0.00 H new ATOM 0 HA THR A 81 14.921 10.305 -15.615 1.00 0.00 H new ATOM 0 HB THR A 81 17.587 9.689 -14.279 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.832 8.305 -16.153 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.788 7.356 -14.224 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.749 8.430 -13.258 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.214 7.884 -14.865 1.00 0.00 H new ATOM 1227 N GLN A 82 16.171 11.090 -12.642 1.00 0.00 N ATOM 1228 CA GLN A 82 15.809 11.395 -11.263 1.00 0.00 C ATOM 1229 C GLN A 82 15.036 12.707 -11.180 1.00 0.00 C ATOM 1230 O GLN A 82 13.896 12.739 -10.718 1.00 0.00 O ATOM 1231 CB GLN A 82 17.063 11.473 -10.390 1.00 0.00 C ATOM 1232 CG GLN A 82 17.909 10.211 -10.427 1.00 0.00 C ATOM 1233 CD GLN A 82 17.394 9.135 -9.490 1.00 0.00 C ATOM 1234 OE1 GLN A 82 16.233 9.155 -9.082 1.00 0.00 O ATOM 1235 NE2 GLN A 82 18.258 8.187 -9.145 1.00 0.00 N ATOM 0 H GLN A 82 17.175 11.047 -12.816 1.00 0.00 H new ATOM 0 HA GLN A 82 15.168 10.593 -10.897 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.670 12.317 -10.716 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.767 11.672 -9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.929 9.822 -11.445 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.936 10.459 -10.160 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.211 8.210 -9.507 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.968 7.436 -8.518 1.00 0.00 H new ATOM 1244 N MET A 83 15.664 13.788 -11.631 1.00 0.00 N ATOM 1245 CA MET A 83 15.033 15.103 -11.609 1.00 0.00 C ATOM 1246 C MET A 83 13.540 14.995 -11.900 1.00 0.00 C ATOM 1247 O MET A 83 12.708 15.248 -11.028 1.00 0.00 O ATOM 1248 CB MET A 83 15.698 16.028 -12.630 1.00 0.00 C ATOM 1249 CG MET A 83 15.173 17.454 -12.590 1.00 0.00 C ATOM 1250 SD MET A 83 15.330 18.206 -10.958 1.00 0.00 S ATOM 1251 CE MET A 83 17.111 18.297 -10.797 1.00 0.00 C ATOM 0 H MET A 83 16.609 13.780 -12.016 1.00 0.00 H new ATOM 0 HA MET A 83 15.161 15.523 -10.611 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.773 16.040 -12.451 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.546 15.621 -13.630 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.716 18.057 -13.318 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.125 17.460 -12.889 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.370 18.590 -9.780 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.546 17.322 -11.015 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.502 19.034 -11.498 1.00 0.00 H new ATOM 1261 N SER A 84 13.207 14.617 -13.130 1.00 0.00 N ATOM 1262 CA SER A 84 11.813 14.480 -13.536 1.00 0.00 C ATOM 1263 C SER A 84 11.016 13.706 -12.491 1.00 0.00 C ATOM 1264 O SER A 84 10.003 14.188 -11.985 1.00 0.00 O ATOM 1265 CB SER A 84 11.722 13.773 -14.890 1.00 0.00 C ATOM 1266 OG SER A 84 10.527 14.120 -15.567 1.00 0.00 O ATOM 0 H SER A 84 13.883 14.400 -13.862 1.00 0.00 H new ATOM 0 HA SER A 84 11.386 15.479 -13.626 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.582 14.042 -15.503 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.760 12.694 -14.743 1.00 0.00 H new ATOM 0 HG SER A 84 10.727 14.774 -16.269 1.00 0.00 H new ATOM 1272 N ASN A 85 11.482 12.503 -12.171 1.00 0.00 N ATOM 1273 CA ASN A 85 10.814 11.661 -11.186 1.00 0.00 C ATOM 1274 C ASN A 85 10.507 12.448 -9.916 1.00 0.00 C ATOM 1275 O ASN A 85 9.548 12.150 -9.204 1.00 0.00 O ATOM 1276 CB ASN A 85 11.681 10.447 -10.850 1.00 0.00 C ATOM 1277 CG ASN A 85 11.485 9.306 -11.830 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.919 9.490 -12.908 1.00 0.00 O ATOM 1279 ND2 ASN A 85 11.953 8.120 -11.460 1.00 0.00 N ATOM 0 H ASN A 85 12.320 12.090 -12.580 1.00 0.00 H new ATOM 0 HA ASN A 85 9.873 11.319 -11.616 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.730 10.743 -10.847 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.444 10.102 -9.843 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.850 7.316 -12.079 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.416 8.013 -10.557 1.00 0.00 H new ATOM 1286 N PHE A 86 11.328 13.456 -9.638 1.00 0.00 N ATOM 1287 CA PHE A 86 11.145 14.287 -8.454 1.00 0.00 C ATOM 1288 C PHE A 86 10.123 15.390 -8.715 1.00 0.00 C ATOM 1289 O PHE A 86 9.318 15.725 -7.845 1.00 0.00 O ATOM 1290 CB PHE A 86 12.478 14.902 -8.026 1.00 0.00 C ATOM 1291 CG PHE A 86 13.529 13.883 -7.688 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.197 12.732 -6.992 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.847 14.076 -8.066 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.161 11.791 -6.680 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.815 13.139 -7.757 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.472 11.996 -7.063 1.00 0.00 C ATOM 0 H PHE A 86 12.126 13.717 -10.217 1.00 0.00 H new ATOM 0 HA PHE A 86 10.771 13.653 -7.650 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.848 15.541 -8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.312 15.542 -7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.173 12.568 -6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.122 14.969 -8.608 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.889 10.897 -6.138 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.839 13.301 -8.058 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.227 11.263 -6.820 1.00 0.00 H new ATOM 1306 N LEU A 87 10.162 15.950 -9.919 1.00 0.00 N ATOM 1307 CA LEU A 87 9.240 17.016 -10.297 1.00 0.00 C ATOM 1308 C LEU A 87 7.932 16.441 -10.830 1.00 0.00 C ATOM 1309 O LEU A 87 7.015 17.181 -11.185 1.00 0.00 O ATOM 1310 CB LEU A 87 9.880 17.920 -11.352 1.00 0.00 C ATOM 1311 CG LEU A 87 11.195 18.591 -10.953 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.798 19.330 -12.137 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.976 19.540 -9.784 1.00 0.00 C ATOM 0 H LEU A 87 10.822 15.684 -10.650 1.00 0.00 H new ATOM 0 HA LEU A 87 9.020 17.605 -9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.055 17.328 -12.250 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.164 18.698 -11.617 1.00 0.00 H new ATOM 0 HG LEU A 87 11.896 17.817 -10.640 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.733 19.801 -11.834 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.992 18.625 -12.945 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.102 20.094 -12.482 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.922 20.009 -9.514 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.259 20.309 -10.069 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.590 18.983 -8.930 1.00 0.00 H new ATOM 1325 N LYS A 88 7.851 15.116 -10.881 1.00 0.00 N ATOM 1326 CA LYS A 88 6.654 14.440 -11.366 1.00 0.00 C ATOM 1327 C LYS A 88 5.434 14.834 -10.541 1.00 0.00 C ATOM 1328 O LYS A 88 4.559 15.559 -11.015 1.00 0.00 O ATOM 1329 CB LYS A 88 6.846 12.922 -11.319 1.00 0.00 C ATOM 1330 CG LYS A 88 7.490 12.351 -12.571 1.00 0.00 C ATOM 1331 CD LYS A 88 6.502 12.276 -13.722 1.00 0.00 C ATOM 1332 CE LYS A 88 7.164 11.767 -14.993 1.00 0.00 C ATOM 1333 NZ LYS A 88 6.162 11.374 -16.022 1.00 0.00 N ATOM 0 H LYS A 88 8.601 14.488 -10.592 1.00 0.00 H new ATOM 0 HA LYS A 88 6.487 14.748 -12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.462 12.669 -10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.877 12.446 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.339 12.971 -12.859 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.879 11.355 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.676 11.618 -13.452 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.076 13.263 -13.902 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.816 12.541 -15.398 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.795 10.911 -14.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.653 11.033 -16.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.556 10.617 -15.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.576 12.197 -16.268 1.00 0.00 H new ATOM 1347 N SER A 89 5.382 14.354 -9.302 1.00 0.00 N ATOM 1348 CA SER A 89 4.268 14.655 -8.411 1.00 0.00 C ATOM 1349 C SER A 89 2.970 14.056 -8.944 1.00 0.00 C ATOM 1350 O SER A 89 1.892 14.625 -8.770 1.00 0.00 O ATOM 1351 CB SER A 89 4.114 16.168 -8.246 1.00 0.00 C ATOM 1352 OG SER A 89 3.073 16.478 -7.335 1.00 0.00 O ATOM 0 H SER A 89 6.099 13.755 -8.893 1.00 0.00 H new ATOM 0 HA SER A 89 4.482 14.210 -7.439 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.052 16.596 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.902 16.623 -9.214 1.00 0.00 H new ATOM 0 HG SER A 89 2.284 15.935 -7.543 1.00 0.00 H new ATOM 1358 N LYS A 90 3.081 12.902 -9.594 1.00 0.00 N ATOM 1359 CA LYS A 90 1.918 12.223 -10.152 1.00 0.00 C ATOM 1360 C LYS A 90 0.976 13.217 -10.823 1.00 0.00 C ATOM 1361 O LYS A 90 -0.235 13.189 -10.602 1.00 0.00 O ATOM 1362 CB LYS A 90 1.172 11.460 -9.054 1.00 0.00 C ATOM 1363 CG LYS A 90 0.142 10.479 -9.588 1.00 0.00 C ATOM 1364 CD LYS A 90 0.786 9.170 -10.013 1.00 0.00 C ATOM 1365 CE LYS A 90 1.081 8.280 -8.816 1.00 0.00 C ATOM 1366 NZ LYS A 90 -0.150 7.971 -8.037 1.00 0.00 N ATOM 0 H LYS A 90 3.965 12.418 -9.747 1.00 0.00 H new ATOM 0 HA LYS A 90 2.268 11.517 -10.905 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.895 10.919 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.675 12.176 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.608 10.284 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.378 10.922 -10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.126 8.646 -10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.711 9.376 -10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.537 7.351 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.807 8.772 -8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.010 7.123 -7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.381 8.775 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.940 7.799 -8.691 1.00 0.00 H new ATOM 1380 N THR A 91 1.541 14.096 -11.646 1.00 0.00 N ATOM 1381 CA THR A 91 0.752 15.100 -12.350 1.00 0.00 C ATOM 1382 C THR A 91 1.134 15.164 -13.824 1.00 0.00 C ATOM 1383 O THR A 91 2.287 14.934 -14.187 1.00 0.00 O ATOM 1384 CB THR A 91 0.930 16.496 -11.724 1.00 0.00 C ATOM 1385 OG1 THR A 91 0.721 16.428 -10.309 1.00 0.00 O ATOM 1386 CG2 THR A 91 -0.041 17.492 -12.338 1.00 0.00 C ATOM 0 H THR A 91 2.541 14.133 -11.841 1.00 0.00 H new ATOM 0 HA THR A 91 -0.292 14.801 -12.260 1.00 0.00 H new ATOM 0 HB THR A 91 1.947 16.833 -11.925 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.430 15.889 -9.899 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.103 18.471 -11.880 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.140 17.563 -13.411 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.064 17.158 -12.164 1.00 0.00 H new ATOM 1394 N ALA A 92 0.159 15.478 -14.670 1.00 0.00 N ATOM 1395 CA ALA A 92 0.394 15.576 -16.105 1.00 0.00 C ATOM 1396 C ALA A 92 0.936 16.951 -16.481 1.00 0.00 C ATOM 1397 O ALA A 92 0.813 17.386 -17.625 1.00 0.00 O ATOM 1398 CB ALA A 92 -0.888 15.284 -16.871 1.00 0.00 C ATOM 0 H ALA A 92 -0.802 15.669 -14.386 1.00 0.00 H new ATOM 0 HA ALA A 92 1.144 14.833 -16.376 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.698 15.361 -17.942 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.232 14.277 -16.635 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.654 16.005 -16.586 1.00 0.00 H new ATOM 1404 N GLY A 93 1.536 17.631 -15.509 1.00 0.00 N ATOM 1405 CA GLY A 93 2.087 18.950 -15.758 1.00 0.00 C ATOM 1406 C GLY A 93 2.044 19.838 -14.530 1.00 0.00 C ATOM 1407 O GLY A 93 1.248 20.775 -14.459 1.00 0.00 O ATOM 0 H GLY A 93 1.650 17.292 -14.554 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.119 18.852 -16.095 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.531 19.426 -16.566 1.00 0.00 H new ATOM 1411 N LYS A 94 2.900 19.543 -13.558 1.00 0.00 N ATOM 1412 CA LYS A 94 2.957 20.320 -12.325 1.00 0.00 C ATOM 1413 C LYS A 94 4.121 21.305 -12.356 1.00 0.00 C ATOM 1414 O LYS A 94 3.922 22.518 -12.299 1.00 0.00 O ATOM 1415 CB LYS A 94 3.094 19.390 -11.118 1.00 0.00 C ATOM 1416 CG LYS A 94 3.299 20.125 -9.804 1.00 0.00 C ATOM 1417 CD LYS A 94 1.977 20.569 -9.201 1.00 0.00 C ATOM 1418 CE LYS A 94 2.169 21.716 -8.221 1.00 0.00 C ATOM 1419 NZ LYS A 94 0.889 22.421 -7.934 1.00 0.00 N ATOM 0 H LYS A 94 3.565 18.771 -13.600 1.00 0.00 H new ATOM 0 HA LYS A 94 2.029 20.885 -12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.200 18.772 -11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.935 18.716 -11.283 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.821 19.476 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.935 20.995 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.299 20.878 -9.996 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.508 19.728 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.589 21.333 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.890 22.424 -8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.062 23.196 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.501 22.809 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.209 21.751 -7.522 1.00 0.00 H new ATOM 1433 N TYR A 95 5.336 20.775 -12.449 1.00 0.00 N ATOM 1434 CA TYR A 95 6.532 21.608 -12.487 1.00 0.00 C ATOM 1435 C TYR A 95 7.232 21.494 -13.838 1.00 0.00 C ATOM 1436 O TYR A 95 8.343 20.971 -13.932 1.00 0.00 O ATOM 1437 CB TYR A 95 7.494 21.207 -11.367 1.00 0.00 C ATOM 1438 CG TYR A 95 6.965 21.503 -9.982 1.00 0.00 C ATOM 1439 CD1 TYR A 95 7.210 22.727 -9.371 1.00 0.00 C ATOM 1440 CD2 TYR A 95 6.223 20.559 -9.283 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.730 23.002 -8.105 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.738 20.826 -8.017 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.994 22.049 -7.432 1.00 0.00 C ATOM 1444 OH TYR A 95 5.514 22.318 -6.171 1.00 0.00 O ATOM 0 H TYR A 95 5.518 19.773 -12.499 1.00 0.00 H new ATOM 0 HA TYR A 95 6.227 22.644 -12.342 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.706 20.141 -11.446 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.439 21.731 -11.506 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.785 23.476 -9.895 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.022 19.600 -9.737 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.930 23.958 -7.645 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.162 20.081 -7.488 1.00 0.00 H new ATOM 0 HH TYR A 95 5.016 21.542 -5.838 1.00 0.00 H new ATOM 1454 N ASP A 96 6.575 21.988 -14.881 1.00 0.00 N ATOM 1455 CA ASP A 96 7.133 21.944 -16.228 1.00 0.00 C ATOM 1456 C ASP A 96 8.136 23.075 -16.437 1.00 0.00 C ATOM 1457 O ASP A 96 9.333 22.835 -16.591 1.00 0.00 O ATOM 1458 CB ASP A 96 6.017 22.036 -17.269 1.00 0.00 C ATOM 1459 CG ASP A 96 6.545 22.332 -18.659 1.00 0.00 C ATOM 1460 OD1 ASP A 96 6.950 21.378 -19.355 1.00 0.00 O ATOM 1461 OD2 ASP A 96 6.554 23.518 -19.051 1.00 0.00 O ATOM 0 H ASP A 96 5.655 22.424 -14.820 1.00 0.00 H new ATOM 0 HA ASP A 96 7.653 20.994 -16.349 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.462 21.098 -17.286 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.315 22.816 -16.976 1.00 0.00 H new ATOM 1466 N ARG A 97 7.638 24.307 -16.443 1.00 0.00 N ATOM 1467 CA ARG A 97 8.489 25.474 -16.636 1.00 0.00 C ATOM 1468 C ARG A 97 9.834 25.288 -15.938 1.00 0.00 C ATOM 1469 O ARG A 97 10.867 25.746 -16.426 1.00 0.00 O ATOM 1470 CB ARG A 97 7.797 26.731 -16.104 1.00 0.00 C ATOM 1471 CG ARG A 97 7.280 26.586 -14.682 1.00 0.00 C ATOM 1472 CD ARG A 97 6.382 27.750 -14.294 1.00 0.00 C ATOM 1473 NE ARG A 97 7.147 28.880 -13.773 1.00 0.00 N ATOM 1474 CZ ARG A 97 6.591 29.936 -13.188 1.00 0.00 C ATOM 1475 NH1 ARG A 97 5.274 30.005 -13.051 1.00 0.00 N ATOM 1476 NH2 ARG A 97 7.353 30.925 -12.739 1.00 0.00 N ATOM 0 H ARG A 97 6.649 24.522 -16.316 1.00 0.00 H new ATOM 0 HA ARG A 97 8.666 25.590 -17.705 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.497 27.565 -16.144 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.964 26.982 -16.761 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.727 25.651 -14.588 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.122 26.529 -13.992 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.808 28.071 -15.163 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.665 27.420 -13.542 1.00 0.00 H new ATOM 0 HE ARG A 97 8.163 28.857 -13.863 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.685 29.247 -13.395 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.850 30.817 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.367 30.875 -12.843 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.925 31.735 -12.290 1.00 0.00 H new ATOM 1490 N VAL A 98 9.812 24.612 -14.794 1.00 0.00 N ATOM 1491 CA VAL A 98 11.028 24.364 -14.029 1.00 0.00 C ATOM 1492 C VAL A 98 11.808 23.186 -14.603 1.00 0.00 C ATOM 1493 O VAL A 98 13.016 23.276 -14.822 1.00 0.00 O ATOM 1494 CB VAL A 98 10.713 24.085 -12.548 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.988 23.764 -11.781 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.990 25.269 -11.924 1.00 0.00 C ATOM 0 H VAL A 98 8.965 24.226 -14.376 1.00 0.00 H new ATOM 0 HA VAL A 98 11.635 25.266 -14.099 1.00 0.00 H new ATOM 0 HB VAL A 98 10.056 23.217 -12.493 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.745 23.570 -10.736 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.461 22.882 -12.214 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.673 24.610 -11.843 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.775 25.054 -10.877 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.620 26.156 -11.990 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.056 25.447 -12.457 1.00 0.00 H new ATOM 1506 N TYR A 99 11.108 22.083 -14.844 1.00 0.00 N ATOM 1507 CA TYR A 99 11.735 20.886 -15.391 1.00 0.00 C ATOM 1508 C TYR A 99 12.403 21.183 -16.730 1.00 0.00 C ATOM 1509 O TYR A 99 13.592 20.928 -16.914 1.00 0.00 O ATOM 1510 CB TYR A 99 10.697 19.774 -15.562 1.00 0.00 C ATOM 1511 CG TYR A 99 11.197 18.599 -16.371 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.233 17.800 -15.905 1.00 0.00 C ATOM 1513 CD2 TYR A 99 10.633 18.288 -17.602 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.693 16.725 -16.641 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.086 17.214 -18.344 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.116 16.436 -17.859 1.00 0.00 C ATOM 1517 OH TYR A 99 12.571 15.366 -18.596 1.00 0.00 O ATOM 0 H TYR A 99 10.107 21.993 -14.669 1.00 0.00 H new ATOM 0 HA TYR A 99 12.501 20.555 -14.689 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.389 19.422 -14.578 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.811 20.186 -16.045 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.687 18.023 -14.951 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.827 18.896 -17.985 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.500 16.114 -16.264 1.00 0.00 H new ATOM 0 HE2 TYR A 99 10.636 16.985 -19.299 1.00 0.00 H new ATOM 0 HH TYR A 99 12.057 15.300 -19.428 1.00 0.00 H new ATOM 1527 N ASN A 100 11.627 21.726 -17.663 1.00 0.00 N ATOM 1528 CA ASN A 100 12.142 22.059 -18.986 1.00 0.00 C ATOM 1529 C ASN A 100 13.423 22.881 -18.880 1.00 0.00 C ATOM 1530 O ASN A 100 14.449 22.527 -19.458 1.00 0.00 O ATOM 1531 CB ASN A 100 11.091 22.832 -19.786 1.00 0.00 C ATOM 1532 CG ASN A 100 11.192 24.331 -19.576 1.00 0.00 C ATOM 1533 OD1 ASN A 100 10.595 24.882 -18.651 1.00 0.00 O ATOM 1534 ND2 ASN A 100 11.951 24.999 -20.438 1.00 0.00 N ATOM 0 H ASN A 100 10.640 21.945 -17.527 1.00 0.00 H new ATOM 0 HA ASN A 100 12.371 21.128 -19.504 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.208 22.608 -20.846 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.096 22.493 -19.496 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.057 26.009 -20.348 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.428 24.501 -21.190 1.00 0.00 H new ATOM 1541 N GLY A 101 13.354 23.981 -18.137 1.00 0.00 N ATOM 1542 CA GLY A 101 14.514 24.837 -17.968 1.00 0.00 C ATOM 1543 C GLY A 101 15.776 24.050 -17.673 1.00 0.00 C ATOM 1544 O GLY A 101 16.796 24.226 -18.340 1.00 0.00 O ATOM 0 H GLY A 101 12.515 24.295 -17.649 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.661 25.428 -18.872 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.329 25.539 -17.155 1.00 0.00 H new ATOM 1548 N TYR A 102 15.709 23.181 -16.671 1.00 0.00 N ATOM 1549 CA TYR A 102 16.856 22.368 -16.287 1.00 0.00 C ATOM 1550 C TYR A 102 17.356 21.538 -17.466 1.00 0.00 C ATOM 1551 O TYR A 102 18.558 21.452 -17.714 1.00 0.00 O ATOM 1552 CB TYR A 102 16.488 21.448 -15.121 1.00 0.00 C ATOM 1553 CG TYR A 102 17.645 20.612 -14.621 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.812 21.211 -14.162 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.571 19.225 -14.607 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.872 20.451 -13.705 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.625 18.458 -14.150 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.773 19.076 -13.700 1.00 0.00 C ATOM 1559 OH TYR A 102 20.826 18.315 -13.245 1.00 0.00 O ATOM 0 H TYR A 102 14.872 23.022 -16.110 1.00 0.00 H new ATOM 0 HA TYR A 102 17.656 23.039 -15.974 1.00 0.00 H new ATOM 0 HB2 TYR A 102 16.105 22.053 -14.299 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.680 20.786 -15.432 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.892 22.288 -14.162 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.674 18.738 -14.960 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.773 20.932 -13.354 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.551 17.381 -14.145 1.00 0.00 H new ATOM 0 HH TYR A 102 20.594 17.365 -13.307 1.00 0.00 H new ATOM 1569 N VAL A 103 16.422 20.930 -18.190 1.00 0.00 N ATOM 1570 CA VAL A 103 16.765 20.108 -19.345 1.00 0.00 C ATOM 1571 C VAL A 103 17.739 20.834 -20.266 1.00 0.00 C ATOM 1572 O VAL A 103 18.792 20.301 -20.617 1.00 0.00 O ATOM 1573 CB VAL A 103 15.511 19.717 -20.148 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.891 18.879 -21.359 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.522 18.973 -19.263 1.00 0.00 C ATOM 0 H VAL A 103 15.422 20.991 -17.998 1.00 0.00 H new ATOM 0 HA VAL A 103 17.238 19.204 -18.961 1.00 0.00 H new ATOM 0 HB VAL A 103 15.031 20.628 -20.504 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.991 18.612 -21.914 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.558 19.452 -22.003 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.396 17.971 -21.029 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.642 18.704 -19.847 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.990 18.068 -18.875 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.225 19.613 -18.432 1.00 0.00 H new ATOM 1585 N ILE A 104 17.381 22.054 -20.653 1.00 0.00 N ATOM 1586 CA ILE A 104 18.225 22.854 -21.532 1.00 0.00 C ATOM 1587 C ILE A 104 19.549 23.199 -20.859 1.00 0.00 C ATOM 1588 O ILE A 104 20.600 23.209 -21.501 1.00 0.00 O ATOM 1589 CB ILE A 104 17.521 24.158 -21.954 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.216 23.844 -22.688 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.440 24.995 -22.831 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.169 24.927 -22.550 1.00 0.00 C ATOM 0 H ILE A 104 16.513 22.510 -20.372 1.00 0.00 H new ATOM 0 HA ILE A 104 18.418 22.251 -22.419 1.00 0.00 H new ATOM 0 HB ILE A 104 17.283 24.732 -21.058 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.431 23.691 -23.745 1.00 0.00 H new ATOM 0 HG13 ILE A 104 15.810 22.907 -22.306 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.929 25.913 -23.121 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.345 25.243 -22.277 1.00 0.00 H new ATOM 0 HG23 ILE A 104 18.705 24.429 -23.724 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.271 24.637 -23.096 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.925 25.065 -21.497 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.555 25.861 -22.958 1.00 0.00 H new ATOM 1604 N HIS A 105 19.491 23.481 -19.561 1.00 0.00 N ATOM 1605 CA HIS A 105 20.687 23.824 -18.799 1.00 0.00 C ATOM 1606 C HIS A 105 21.792 22.798 -19.031 1.00 0.00 C ATOM 1607 O HIS A 105 22.974 23.141 -19.069 1.00 0.00 O ATOM 1608 CB HIS A 105 20.359 23.911 -17.308 1.00 0.00 C ATOM 1609 CG HIS A 105 21.530 24.302 -16.460 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.009 25.593 -16.387 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.318 23.564 -15.644 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.042 25.632 -15.564 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.250 24.413 -15.100 1.00 0.00 N ATOM 0 H HIS A 105 18.629 23.479 -19.015 1.00 0.00 H new ATOM 0 HA HIS A 105 21.041 24.796 -19.143 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.557 24.635 -17.162 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.982 22.946 -16.970 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.230 22.504 -15.456 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.618 26.511 -15.313 1.00 0.00 H new ATOM 0 HE2 HIS A 105 23.984 24.146 -14.444 1.00 0.00 H new ATOM 1622 N LEU A 106 21.400 21.538 -19.184 1.00 0.00 N ATOM 1623 CA LEU A 106 22.357 20.461 -19.411 1.00 0.00 C ATOM 1624 C LEU A 106 22.635 20.284 -20.901 1.00 0.00 C ATOM 1625 O LEU A 106 23.695 19.795 -21.291 1.00 0.00 O ATOM 1626 CB LEU A 106 21.832 19.152 -18.820 1.00 0.00 C ATOM 1627 CG LEU A 106 21.789 19.074 -17.293 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.864 17.955 -16.841 1.00 0.00 C ATOM 1629 CD2 LEU A 106 23.189 18.872 -16.731 1.00 0.00 C ATOM 0 H LEU A 106 20.426 21.237 -19.155 1.00 0.00 H new ATOM 0 HA LEU A 106 23.290 20.728 -18.915 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.825 18.983 -19.201 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.453 18.336 -19.188 1.00 0.00 H new ATOM 0 HG LEU A 106 21.398 20.017 -16.910 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.846 17.915 -15.752 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.857 18.143 -17.214 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.225 17.004 -17.233 1.00 0.00 H new ATOM 0 HD21 LEU A 106 23.140 18.819 -15.643 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.607 17.944 -17.121 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.823 19.708 -17.025 1.00 0.00 H new ATOM 1641 N ASP A 107 21.676 20.687 -21.727 1.00 0.00 N ATOM 1642 CA ASP A 107 21.818 20.576 -23.175 1.00 0.00 C ATOM 1643 C ASP A 107 23.189 21.072 -23.625 1.00 0.00 C ATOM 1644 O ASP A 107 23.753 20.571 -24.598 1.00 0.00 O ATOM 1645 CB ASP A 107 20.718 21.371 -23.879 1.00 0.00 C ATOM 1646 CG ASP A 107 20.841 21.318 -25.389 1.00 0.00 C ATOM 1647 OD1 ASP A 107 20.699 20.215 -25.957 1.00 0.00 O ATOM 1648 OD2 ASP A 107 21.080 22.379 -26.003 1.00 0.00 O ATOM 0 H ASP A 107 20.792 21.093 -21.420 1.00 0.00 H new ATOM 0 HA ASP A 107 21.725 19.524 -23.446 1.00 0.00 H new ATOM 0 HB2 ASP A 107 19.745 20.980 -23.583 1.00 0.00 H new ATOM 0 HB3 ASP A 107 20.757 22.410 -23.550 1.00 0.00 H new ATOM 1653 N TYR A 108 23.718 22.061 -22.913 1.00 0.00 N ATOM 1654 CA TYR A 108 25.021 22.627 -23.242 1.00 0.00 C ATOM 1655 C TYR A 108 26.014 21.530 -23.611 1.00 0.00 C ATOM 1656 O TYR A 108 27.179 21.805 -23.898 1.00 0.00 O ATOM 1657 CB TYR A 108 25.558 23.442 -22.064 1.00 0.00 C ATOM 1658 CG TYR A 108 26.229 22.600 -21.002 1.00 0.00 C ATOM 1659 CD1 TYR A 108 25.487 21.755 -20.187 1.00 0.00 C ATOM 1660 CD2 TYR A 108 27.604 22.652 -20.813 1.00 0.00 C ATOM 1661 CE1 TYR A 108 26.095 20.984 -19.214 1.00 0.00 C ATOM 1662 CE2 TYR A 108 28.221 21.884 -19.844 1.00 0.00 C ATOM 1663 CZ TYR A 108 27.463 21.052 -19.047 1.00 0.00 C ATOM 1664 OH TYR A 108 28.073 20.287 -18.080 1.00 0.00 O ATOM 0 H TYR A 108 23.265 22.487 -22.105 1.00 0.00 H new ATOM 0 HA TYR A 108 24.897 23.284 -24.103 1.00 0.00 H new ATOM 0 HB2 TYR A 108 26.271 24.178 -22.437 1.00 0.00 H new ATOM 0 HB3 TYR A 108 24.736 23.996 -21.611 1.00 0.00 H new ATOM 0 HD1 TYR A 108 24.416 21.699 -20.316 1.00 0.00 H new ATOM 0 HD2 TYR A 108 28.201 23.304 -21.434 1.00 0.00 H new ATOM 0 HE1 TYR A 108 25.503 20.332 -18.588 1.00 0.00 H new ATOM 0 HE2 TYR A 108 29.292 21.935 -19.711 1.00 0.00 H new ATOM 0 HH TYR A 108 29.039 20.451 -18.094 1.00 0.00 H new TER 1674 TYR A 108