USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 756 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 1 MET N :NH3+ -134:sc= -0.0795 (180deg=-0.705) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 159:sc= -0.115 (180deg=-0.421) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 130:sc= 0 USER MOD Single : A 8 MET CE :methyl 169:sc= 0 (180deg=-0.114) USER MOD Single : A 12 THR OG1 : rot -89:sc= 0.69 USER MOD Single : A 16 HIS : no HD1:sc= -0.0334 K(o=-0.033,f=-0.7) USER MOD Single : A 18 THR OG1 : rot -73:sc= -0.113 USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= -0.911 (180deg=-1.29) USER MOD Single : A 26 LYS NZ :NH3+ -130:sc= -2.42 (180deg=-3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0561 F(o=-1,f=-0.056) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-2.7!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -92:sc= 0.439 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -102:sc= 0.97 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc=-0.00712 (180deg=-0.135) USER MOD Single : A 67 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.62) USER MOD Single : A 70 GLN : amide:sc= -1.35 K(o=-1.4,f=-3.2!) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.0602 (180deg=-0.375) USER MOD Single : A 73 ASN : amide:sc= -4.76 X(o=-4.8,f=-4.7!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -160:sc= -0.126 (180deg=-0.635) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -1.22 F(o=-2!,f=-1.2) USER MOD Single : A 84 LYS NZ :NH3+ 149:sc= -0.313 (180deg=-1.3!) USER MOD Single : A 85 LYS NZ :NH3+ 165:sc= -0.0815 (180deg=-0.382) USER MOD Single : A 86 LYS NZ :NH3+ 166:sc= -0.0252 (180deg=-0.255) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.272 -2.543 12.709 1.00 0.00 N ATOM 2 CA MET A 1 -8.938 -1.106 12.876 1.00 0.00 C ATOM 3 C MET A 1 -8.257 -0.560 11.626 1.00 0.00 C ATOM 4 O MET A 1 -7.885 -1.317 10.729 1.00 0.00 O ATOM 5 CB MET A 1 -8.024 -0.913 14.089 1.00 0.00 C ATOM 6 CG MET A 1 -8.589 -1.485 15.379 1.00 0.00 C ATOM 7 SD MET A 1 -7.522 -1.175 16.800 1.00 0.00 S ATOM 8 CE MET A 1 -8.443 -1.993 18.100 1.00 0.00 C ATOM 0 H1 MET A 1 -10.246 -2.713 13.031 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.188 -2.805 11.706 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.616 -3.120 13.273 1.00 0.00 H new ATOM 0 HA MET A 1 -9.866 -0.558 13.035 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.061 -1.382 13.885 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.837 0.152 14.226 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.571 -1.051 15.565 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.732 -2.559 15.264 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.909 -1.889 19.045 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.430 -1.538 18.188 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.551 -3.051 17.859 1.00 0.00 H new ATOM 20 N GLU A 2 -8.096 0.759 11.571 1.00 0.00 N ATOM 21 CA GLU A 2 -7.457 1.403 10.431 1.00 0.00 C ATOM 22 C GLU A 2 -6.006 0.950 10.294 1.00 0.00 C ATOM 23 O GLU A 2 -5.489 0.825 9.184 1.00 0.00 O ATOM 24 CB GLU A 2 -7.519 2.926 10.577 1.00 0.00 C ATOM 25 CG GLU A 2 -6.755 3.679 9.498 1.00 0.00 C ATOM 26 CD GLU A 2 -7.253 3.366 8.099 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.290 3.931 7.697 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.602 2.557 7.406 1.00 0.00 O ATOM 0 H GLU A 2 -8.400 1.401 12.303 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.996 1.111 9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.562 3.241 10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.120 3.204 11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.841 4.750 9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.696 3.429 9.567 1.00 0.00 H new ATOM 35 N SER A 3 -5.358 0.701 11.429 1.00 0.00 N ATOM 36 CA SER A 3 -3.965 0.264 11.436 1.00 0.00 C ATOM 37 C SER A 3 -3.805 -1.069 10.713 1.00 0.00 C ATOM 38 O SER A 3 -2.841 -1.272 9.974 1.00 0.00 O ATOM 39 CB SER A 3 -3.452 0.142 12.873 1.00 0.00 C ATOM 40 OG SER A 3 -2.101 -0.285 12.897 1.00 0.00 O ATOM 0 H SER A 3 -5.775 0.794 12.355 1.00 0.00 H new ATOM 0 HA SER A 3 -3.376 1.014 10.909 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.542 1.104 13.378 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.070 -0.566 13.425 1.00 0.00 H new ATOM 0 HG SER A 3 -1.796 -0.354 13.826 1.00 0.00 H new ATOM 46 N GLU A 4 -4.752 -1.975 10.929 1.00 0.00 N ATOM 47 CA GLU A 4 -4.711 -3.286 10.294 1.00 0.00 C ATOM 48 C GLU A 4 -5.106 -3.190 8.823 1.00 0.00 C ATOM 49 O GLU A 4 -4.645 -3.975 7.996 1.00 0.00 O ATOM 50 CB GLU A 4 -5.637 -4.262 11.020 1.00 0.00 C ATOM 51 CG GLU A 4 -5.291 -4.455 12.487 1.00 0.00 C ATOM 52 CD GLU A 4 -6.110 -5.552 13.139 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.240 -5.265 13.586 1.00 0.00 O ATOM 54 OE2 GLU A 4 -5.620 -6.700 13.200 1.00 0.00 O ATOM 0 H GLU A 4 -5.556 -1.826 11.538 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.688 -3.657 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.663 -3.902 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.599 -5.228 10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.232 -4.694 12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.453 -3.519 13.021 1.00 0.00 H new ATOM 61 N TYR A 5 -5.958 -2.222 8.505 1.00 0.00 N ATOM 62 CA TYR A 5 -6.419 -2.028 7.134 1.00 0.00 C ATOM 63 C TYR A 5 -5.306 -1.478 6.247 1.00 0.00 C ATOM 64 O TYR A 5 -5.210 -1.828 5.071 1.00 0.00 O ATOM 65 CB TYR A 5 -7.625 -1.084 7.112 1.00 0.00 C ATOM 66 CG TYR A 5 -8.102 -0.732 5.719 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.590 -1.709 4.860 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.066 0.581 5.266 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.027 -1.388 3.588 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.502 0.911 3.997 1.00 0.00 C ATOM 71 CZ TYR A 5 -8.981 -0.077 3.162 1.00 0.00 C ATOM 72 OH TYR A 5 -9.416 0.248 1.897 1.00 0.00 O ATOM 0 H TYR A 5 -6.344 -1.559 9.177 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.716 -2.999 6.738 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.446 -1.546 7.661 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.365 -0.166 7.640 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.629 -2.736 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.691 1.357 5.917 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.402 -2.159 2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.468 1.937 3.661 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.043 0.999 1.950 1.00 0.00 H new ATOM 82 N ARG A 6 -4.465 -0.617 6.811 1.00 0.00 N ATOM 83 CA ARG A 6 -3.366 -0.018 6.060 1.00 0.00 C ATOM 84 C ARG A 6 -2.159 -0.953 5.989 1.00 0.00 C ATOM 85 O ARG A 6 -1.584 -1.158 4.921 1.00 0.00 O ATOM 86 CB ARG A 6 -2.957 1.316 6.692 1.00 0.00 C ATOM 87 CG ARG A 6 -2.522 1.198 8.144 1.00 0.00 C ATOM 88 CD ARG A 6 -2.125 2.548 8.720 1.00 0.00 C ATOM 89 NE ARG A 6 -1.669 2.442 10.104 1.00 0.00 N ATOM 90 CZ ARG A 6 -0.406 2.616 10.482 1.00 0.00 C ATOM 91 NH1 ARG A 6 0.530 2.893 9.582 1.00 0.00 N ATOM 92 NH2 ARG A 6 -0.076 2.511 11.761 1.00 0.00 N ATOM 0 H ARG A 6 -4.523 -0.318 7.785 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.717 0.157 5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.141 1.748 6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.795 2.010 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.334 0.774 8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.681 0.509 8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.333 2.983 8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.976 3.227 8.670 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.359 2.222 10.822 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.282 2.973 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.497 3.026 9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.791 2.297 12.456 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.893 2.645 12.050 1.00 0.00 H new ATOM 106 N GLU A 7 -1.787 -1.518 7.131 1.00 0.00 N ATOM 107 CA GLU A 7 -0.639 -2.416 7.208 1.00 0.00 C ATOM 108 C GLU A 7 -0.831 -3.661 6.345 1.00 0.00 C ATOM 109 O GLU A 7 0.044 -4.020 5.558 1.00 0.00 O ATOM 110 CB GLU A 7 -0.399 -2.831 8.661 1.00 0.00 C ATOM 111 CG GLU A 7 0.794 -3.756 8.842 1.00 0.00 C ATOM 112 CD GLU A 7 1.008 -4.155 10.288 1.00 0.00 C ATOM 113 OE1 GLU A 7 0.352 -5.116 10.743 1.00 0.00 O ATOM 114 OE2 GLU A 7 1.831 -3.506 10.967 1.00 0.00 O ATOM 0 H GLU A 7 -2.265 -1.370 8.020 1.00 0.00 H new ATOM 0 HA GLU A 7 0.228 -1.875 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.249 -1.936 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.293 -3.326 9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.649 -4.653 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.691 -3.263 8.468 1.00 0.00 H new ATOM 121 N MET A 8 -1.975 -4.315 6.501 1.00 0.00 N ATOM 122 CA MET A 8 -2.270 -5.532 5.750 1.00 0.00 C ATOM 123 C MET A 8 -2.390 -5.264 4.252 1.00 0.00 C ATOM 124 O MET A 8 -1.773 -5.956 3.442 1.00 0.00 O ATOM 125 CB MET A 8 -3.562 -6.170 6.267 1.00 0.00 C ATOM 126 CG MET A 8 -3.902 -7.492 5.598 1.00 0.00 C ATOM 127 SD MET A 8 -2.662 -8.764 5.903 1.00 0.00 S ATOM 128 CE MET A 8 -3.381 -10.156 5.035 1.00 0.00 C ATOM 0 H MET A 8 -2.715 -4.024 7.140 1.00 0.00 H new ATOM 0 HA MET A 8 -1.436 -6.218 5.900 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.473 -6.329 7.342 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.387 -5.474 6.115 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.870 -7.839 5.960 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.000 -7.336 4.524 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.647 -10.959 4.964 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.256 -10.511 5.579 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.678 -9.846 4.033 1.00 0.00 H new ATOM 138 N LEU A 9 -3.177 -4.258 3.888 1.00 0.00 N ATOM 139 CA LEU A 9 -3.389 -3.925 2.480 1.00 0.00 C ATOM 140 C LEU A 9 -2.080 -3.590 1.769 1.00 0.00 C ATOM 141 O LEU A 9 -1.930 -3.850 0.576 1.00 0.00 O ATOM 142 CB LEU A 9 -4.365 -2.756 2.339 1.00 0.00 C ATOM 143 CG LEU A 9 -4.934 -2.564 0.931 1.00 0.00 C ATOM 144 CD1 LEU A 9 -5.805 -3.748 0.541 1.00 0.00 C ATOM 145 CD2 LEU A 9 -5.724 -1.268 0.843 1.00 0.00 C ATOM 0 H LEU A 9 -3.678 -3.659 4.544 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.815 -4.809 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.192 -2.905 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.858 -1.839 2.639 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.101 -2.504 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.201 -3.594 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.209 -4.660 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.631 -3.840 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.120 -1.151 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.549 -1.295 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.071 -0.427 1.076 1.00 0.00 H new ATOM 157 N LEU A 10 -1.137 -3.007 2.501 1.00 0.00 N ATOM 158 CA LEU A 10 0.149 -2.630 1.923 1.00 0.00 C ATOM 159 C LEU A 10 1.104 -3.819 1.827 1.00 0.00 C ATOM 160 O LEU A 10 1.619 -4.121 0.751 1.00 0.00 O ATOM 161 CB LEU A 10 0.793 -1.510 2.746 1.00 0.00 C ATOM 162 CG LEU A 10 0.519 -0.087 2.246 1.00 0.00 C ATOM 163 CD1 LEU A 10 1.107 0.115 0.857 1.00 0.00 C ATOM 164 CD2 LEU A 10 -0.976 0.204 2.239 1.00 0.00 C ATOM 0 H LEU A 10 -1.237 -2.786 3.492 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.042 -2.275 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.441 -1.590 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.871 -1.669 2.764 1.00 0.00 H new ATOM 0 HG LEU A 10 1.001 0.612 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.902 1.131 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.185 -0.046 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.656 -0.595 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.147 1.219 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.481 -0.503 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.371 0.105 3.250 1.00 0.00 H new ATOM 176 N LEU A 11 1.332 -4.493 2.949 1.00 0.00 N ATOM 177 CA LEU A 11 2.246 -5.633 2.985 1.00 0.00 C ATOM 178 C LEU A 11 1.813 -6.738 2.023 1.00 0.00 C ATOM 179 O LEU A 11 2.645 -7.505 1.536 1.00 0.00 O ATOM 180 CB LEU A 11 2.363 -6.178 4.415 1.00 0.00 C ATOM 181 CG LEU A 11 1.317 -7.221 4.822 1.00 0.00 C ATOM 182 CD1 LEU A 11 1.805 -8.630 4.509 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.988 -7.092 6.300 1.00 0.00 C ATOM 0 H LEU A 11 0.898 -4.272 3.845 1.00 0.00 H new ATOM 0 HA LEU A 11 3.225 -5.282 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.353 -6.618 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.301 -5.340 5.109 1.00 0.00 H new ATOM 0 HG LEU A 11 0.411 -7.038 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.045 -9.353 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.993 -8.721 3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.727 -8.826 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.244 -7.840 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.892 -7.247 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.592 -6.096 6.499 1.00 0.00 H new ATOM 195 N THR A 12 0.513 -6.820 1.746 1.00 0.00 N ATOM 196 CA THR A 12 -0.008 -7.842 0.841 1.00 0.00 C ATOM 197 C THR A 12 0.537 -7.664 -0.573 1.00 0.00 C ATOM 198 O THR A 12 0.340 -8.521 -1.434 1.00 0.00 O ATOM 199 CB THR A 12 -1.547 -7.831 0.792 1.00 0.00 C ATOM 200 OG1 THR A 12 -2.030 -6.484 0.762 1.00 0.00 O ATOM 201 CG2 THR A 12 -2.131 -8.565 1.990 1.00 0.00 C ATOM 0 H THR A 12 -0.195 -6.195 2.132 1.00 0.00 H new ATOM 0 HA THR A 12 0.325 -8.802 1.236 1.00 0.00 H new ATOM 0 HB THR A 12 -1.863 -8.345 -0.116 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.150 -6.159 1.679 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.219 -8.544 1.934 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.787 -9.599 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.806 -8.078 2.909 1.00 0.00 H new ATOM 209 N GLY A 13 1.222 -6.548 -0.806 1.00 0.00 N ATOM 210 CA GLY A 13 1.787 -6.285 -2.116 1.00 0.00 C ATOM 211 C GLY A 13 3.295 -6.123 -2.078 1.00 0.00 C ATOM 212 O GLY A 13 3.994 -6.566 -2.987 1.00 0.00 O ATOM 0 H GLY A 13 1.395 -5.822 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.530 -7.102 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.338 -5.381 -2.527 1.00 0.00 H new ATOM 216 N LEU A 14 3.800 -5.487 -1.022 1.00 0.00 N ATOM 217 CA LEU A 14 5.238 -5.274 -0.873 1.00 0.00 C ATOM 218 C LEU A 14 5.960 -6.590 -0.594 1.00 0.00 C ATOM 219 O LEU A 14 7.004 -6.874 -1.183 1.00 0.00 O ATOM 220 CB LEU A 14 5.531 -4.283 0.262 1.00 0.00 C ATOM 221 CG LEU A 14 5.356 -2.796 -0.074 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.154 -2.417 -1.313 1.00 0.00 C ATOM 223 CD2 LEU A 14 3.885 -2.455 -0.258 1.00 0.00 C ATOM 0 H LEU A 14 3.236 -5.111 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 14 5.605 -4.859 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.880 -4.523 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.556 -4.440 0.598 1.00 0.00 H new ATOM 0 HG LEU A 14 5.741 -2.216 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.011 -1.358 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.212 -2.613 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.811 -3.009 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.784 -1.396 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.473 -3.051 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.343 -2.674 0.662 1.00 0.00 H new ATOM 235 N ASP A 15 5.398 -7.389 0.309 1.00 0.00 N ATOM 236 CA ASP A 15 5.992 -8.670 0.680 1.00 0.00 C ATOM 237 C ASP A 15 5.654 -9.765 -0.331 1.00 0.00 C ATOM 238 O ASP A 15 5.913 -10.943 -0.085 1.00 0.00 O ATOM 239 CB ASP A 15 5.518 -9.086 2.073 1.00 0.00 C ATOM 240 CG ASP A 15 5.955 -8.110 3.146 1.00 0.00 C ATOM 241 OD1 ASP A 15 7.068 -8.280 3.688 1.00 0.00 O ATOM 242 OD2 ASP A 15 5.185 -7.174 3.445 1.00 0.00 O ATOM 0 H ASP A 15 4.530 -7.171 0.798 1.00 0.00 H new ATOM 0 HA ASP A 15 7.074 -8.542 0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.431 -9.163 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.908 -10.077 2.306 1.00 0.00 H new ATOM 247 N HIS A 16 5.083 -9.377 -1.467 1.00 0.00 N ATOM 248 CA HIS A 16 4.717 -10.343 -2.497 1.00 0.00 C ATOM 249 C HIS A 16 5.518 -10.116 -3.778 1.00 0.00 C ATOM 250 O HIS A 16 5.735 -11.046 -4.555 1.00 0.00 O ATOM 251 CB HIS A 16 3.221 -10.259 -2.801 1.00 0.00 C ATOM 252 CG HIS A 16 2.716 -11.402 -3.627 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.898 -11.507 -4.988 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.025 -12.510 -3.256 1.00 0.00 C ATOM 255 CE1 HIS A 16 2.324 -12.649 -5.393 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.781 -13.295 -4.378 1.00 0.00 N ATOM 0 H HIS A 16 4.865 -8.407 -1.697 1.00 0.00 H new ATOM 0 HA HIS A 16 4.951 -11.337 -2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.668 -10.227 -1.862 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.016 -9.325 -3.323 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.714 -12.745 -2.249 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.308 -12.995 -6.416 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.285 -14.186 -4.410 1.00 0.00 H new ATOM 264 N ILE A 17 5.955 -8.880 -3.990 1.00 0.00 N ATOM 265 CA ILE A 17 6.725 -8.536 -5.180 1.00 0.00 C ATOM 266 C ILE A 17 8.226 -8.661 -4.929 1.00 0.00 C ATOM 267 O ILE A 17 8.670 -8.744 -3.783 1.00 0.00 O ATOM 268 CB ILE A 17 6.404 -7.109 -5.660 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.742 -6.086 -4.572 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.936 -7.009 -6.052 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.534 -4.649 -5.004 1.00 0.00 C ATOM 0 H ILE A 17 5.790 -8.100 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 17 6.438 -9.244 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 17 7.016 -6.888 -6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.127 -6.285 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.781 -6.219 -4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.718 -5.996 -6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.725 -7.714 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.312 -7.246 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.793 -3.981 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.169 -4.432 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.490 -4.499 -5.278 1.00 0.00 H new ATOM 283 N THR A 18 9.001 -8.674 -6.011 1.00 0.00 N ATOM 284 CA THR A 18 10.452 -8.799 -5.915 1.00 0.00 C ATOM 285 C THR A 18 11.099 -7.494 -5.462 1.00 0.00 C ATOM 286 O THR A 18 10.472 -6.435 -5.486 1.00 0.00 O ATOM 287 CB THR A 18 11.072 -9.222 -7.260 1.00 0.00 C ATOM 288 OG1 THR A 18 10.745 -8.265 -8.274 1.00 0.00 O ATOM 289 CG2 THR A 18 10.576 -10.598 -7.676 1.00 0.00 C ATOM 0 H THR A 18 8.647 -8.599 -6.965 1.00 0.00 H new ATOM 0 HA THR A 18 10.646 -9.571 -5.171 1.00 0.00 H new ATOM 0 HB THR A 18 12.154 -9.265 -7.137 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.799 -8.354 -8.515 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.028 -10.875 -8.629 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.853 -11.329 -6.917 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.491 -10.577 -7.781 1.00 0.00 H new ATOM 297 N GLU A 19 12.361 -7.584 -5.055 1.00 0.00 N ATOM 298 CA GLU A 19 13.111 -6.424 -4.586 1.00 0.00 C ATOM 299 C GLU A 19 13.213 -5.347 -5.662 1.00 0.00 C ATOM 300 O GLU A 19 13.034 -4.161 -5.386 1.00 0.00 O ATOM 301 CB GLU A 19 14.514 -6.848 -4.147 1.00 0.00 C ATOM 302 CG GLU A 19 14.520 -7.921 -3.070 1.00 0.00 C ATOM 303 CD GLU A 19 13.841 -7.468 -1.792 1.00 0.00 C ATOM 304 OE1 GLU A 19 14.525 -6.869 -0.936 1.00 0.00 O ATOM 305 OE2 GLU A 19 12.625 -7.713 -1.647 1.00 0.00 O ATOM 0 H GLU A 19 12.890 -8.456 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 19 12.572 -6.003 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.061 -7.215 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.050 -5.973 -3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.018 -8.812 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.549 -8.204 -2.850 1.00 0.00 H new ATOM 312 N GLU A 20 13.506 -5.765 -6.889 1.00 0.00 N ATOM 313 CA GLU A 20 13.643 -4.833 -8.003 1.00 0.00 C ATOM 314 C GLU A 20 12.355 -4.043 -8.232 1.00 0.00 C ATOM 315 O GLU A 20 12.394 -2.866 -8.589 1.00 0.00 O ATOM 316 CB GLU A 20 14.028 -5.586 -9.277 1.00 0.00 C ATOM 317 CG GLU A 20 13.036 -6.669 -9.669 1.00 0.00 C ATOM 318 CD GLU A 20 13.409 -7.360 -10.966 1.00 0.00 C ATOM 319 OE1 GLU A 20 14.197 -8.328 -10.918 1.00 0.00 O ATOM 320 OE2 GLU A 20 12.912 -6.935 -12.030 1.00 0.00 O ATOM 0 H GLU A 20 13.653 -6.743 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 20 14.432 -4.125 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.117 -4.873 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 20 15.010 -6.038 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.978 -7.409 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.044 -6.229 -9.768 1.00 0.00 H new ATOM 327 N GLU A 21 11.217 -4.696 -8.021 1.00 0.00 N ATOM 328 CA GLU A 21 9.918 -4.056 -8.208 1.00 0.00 C ATOM 329 C GLU A 21 9.588 -3.125 -7.045 1.00 0.00 C ATOM 330 O GLU A 21 8.854 -2.151 -7.210 1.00 0.00 O ATOM 331 CB GLU A 21 8.826 -5.115 -8.365 1.00 0.00 C ATOM 332 CG GLU A 21 9.029 -6.016 -9.572 1.00 0.00 C ATOM 333 CD GLU A 21 7.942 -7.065 -9.707 1.00 0.00 C ATOM 334 OE1 GLU A 21 7.987 -8.066 -8.962 1.00 0.00 O ATOM 335 OE2 GLU A 21 7.047 -6.885 -10.560 1.00 0.00 O ATOM 0 H GLU A 21 11.167 -5.669 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 21 9.965 -3.455 -9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.793 -5.728 -7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.859 -4.619 -8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.055 -5.407 -10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.997 -6.510 -9.493 1.00 0.00 H new ATOM 342 N LEU A 22 10.130 -3.433 -5.870 1.00 0.00 N ATOM 343 CA LEU A 22 9.890 -2.623 -4.678 1.00 0.00 C ATOM 344 C LEU A 22 10.215 -1.151 -4.925 1.00 0.00 C ATOM 345 O LEU A 22 9.412 -0.271 -4.612 1.00 0.00 O ATOM 346 CB LEU A 22 10.722 -3.146 -3.504 1.00 0.00 C ATOM 347 CG LEU A 22 10.256 -4.479 -2.912 1.00 0.00 C ATOM 348 CD1 LEU A 22 11.227 -4.957 -1.845 1.00 0.00 C ATOM 349 CD2 LEU A 22 8.857 -4.345 -2.330 1.00 0.00 C ATOM 0 H LEU A 22 10.738 -4.237 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 22 8.830 -2.701 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.755 -3.255 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.717 -2.395 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 22 10.229 -5.218 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.880 -5.906 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.215 -5.092 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.284 -4.217 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.543 -5.302 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.861 -3.591 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.163 -4.046 -3.116 1.00 0.00 H new ATOM 361 N LYS A 23 11.391 -0.886 -5.487 1.00 0.00 N ATOM 362 CA LYS A 23 11.812 0.484 -5.764 1.00 0.00 C ATOM 363 C LYS A 23 10.982 1.102 -6.883 1.00 0.00 C ATOM 364 O LYS A 23 10.755 2.312 -6.904 1.00 0.00 O ATOM 365 CB LYS A 23 13.298 0.525 -6.131 1.00 0.00 C ATOM 366 CG LYS A 23 13.648 -0.265 -7.382 1.00 0.00 C ATOM 367 CD LYS A 23 15.105 -0.069 -7.771 1.00 0.00 C ATOM 368 CE LYS A 23 15.448 -0.810 -9.054 1.00 0.00 C ATOM 369 NZ LYS A 23 15.350 -2.286 -8.889 1.00 0.00 N ATOM 0 H LYS A 23 12.067 -1.599 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 23 11.653 1.069 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.598 1.563 -6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.879 0.137 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.454 -1.324 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.005 0.048 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.308 0.994 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.748 -0.421 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.775 -0.489 -9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.459 -0.546 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.912 -2.756 -9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.714 -2.556 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.356 -2.579 -8.971 1.00 0.00 H new ATOM 383 N ARG A 24 10.533 0.267 -7.813 1.00 0.00 N ATOM 384 CA ARG A 24 9.727 0.733 -8.938 1.00 0.00 C ATOM 385 C ARG A 24 8.435 1.390 -8.460 1.00 0.00 C ATOM 386 O ARG A 24 8.072 2.472 -8.921 1.00 0.00 O ATOM 387 CB ARG A 24 9.402 -0.432 -9.875 1.00 0.00 C ATOM 388 CG ARG A 24 10.604 -0.940 -10.654 1.00 0.00 C ATOM 389 CD ARG A 24 10.237 -2.133 -11.524 1.00 0.00 C ATOM 390 NE ARG A 24 9.117 -1.838 -12.412 1.00 0.00 N ATOM 391 CZ ARG A 24 8.800 -2.575 -13.472 1.00 0.00 C ATOM 392 NH1 ARG A 24 9.522 -3.645 -13.780 1.00 0.00 N ATOM 393 NH2 ARG A 24 7.761 -2.242 -14.225 1.00 0.00 N ATOM 0 H ARG A 24 10.713 -0.737 -7.811 1.00 0.00 H new ATOM 0 HA ARG A 24 10.309 1.479 -9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.985 -1.252 -9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.630 -0.118 -10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.999 -0.139 -11.279 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.396 -1.223 -9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.102 -2.429 -12.118 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.982 -2.981 -10.888 1.00 0.00 H new ATOM 0 HE ARG A 24 8.544 -1.019 -12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.322 -3.904 -13.203 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.277 -4.209 -14.594 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.204 -1.420 -13.991 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.518 -2.808 -15.038 1.00 0.00 H new ATOM 407 N PHE A 25 7.746 0.729 -7.535 1.00 0.00 N ATOM 408 CA PHE A 25 6.490 1.245 -6.999 1.00 0.00 C ATOM 409 C PHE A 25 6.728 2.448 -6.087 1.00 0.00 C ATOM 410 O PHE A 25 6.001 3.438 -6.152 1.00 0.00 O ATOM 411 CB PHE A 25 5.749 0.145 -6.233 1.00 0.00 C ATOM 412 CG PHE A 25 4.549 0.639 -5.473 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.460 1.176 -6.142 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.515 0.571 -4.090 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.358 1.634 -5.442 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.417 1.027 -3.386 1.00 0.00 C ATOM 417 CZ PHE A 25 2.337 1.560 -4.063 1.00 0.00 C ATOM 0 H PHE A 25 8.036 -0.166 -7.140 1.00 0.00 H new ATOM 0 HA PHE A 25 5.877 1.572 -7.839 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.431 -0.624 -6.937 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.440 -0.328 -5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.472 1.237 -7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.357 0.157 -3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.515 2.049 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.403 0.967 -2.308 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.478 1.918 -3.515 1.00 0.00 H new ATOM 427 N LYS A 26 7.746 2.351 -5.239 1.00 0.00 N ATOM 428 CA LYS A 26 8.079 3.429 -4.313 1.00 0.00 C ATOM 429 C LYS A 26 8.398 4.714 -5.066 1.00 0.00 C ATOM 430 O LYS A 26 8.037 5.810 -4.636 1.00 0.00 O ATOM 431 CB LYS A 26 9.278 3.031 -3.453 1.00 0.00 C ATOM 432 CG LYS A 26 9.444 3.883 -2.204 1.00 0.00 C ATOM 433 CD LYS A 26 8.413 3.531 -1.143 1.00 0.00 C ATOM 434 CE LYS A 26 8.707 2.183 -0.502 1.00 0.00 C ATOM 435 NZ LYS A 26 9.977 2.204 0.275 1.00 0.00 N ATOM 0 H LYS A 26 8.356 1.536 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 26 7.214 3.604 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.172 1.987 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.185 3.102 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.446 3.743 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.351 4.937 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.401 4.305 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.420 3.512 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.883 1.906 0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.767 1.418 -1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.568 1.395 -0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.488 3.089 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.763 2.143 1.291 1.00 0.00 H new ATOM 449 N TYR A 27 9.077 4.564 -6.194 1.00 0.00 N ATOM 450 CA TYR A 27 9.467 5.699 -7.018 1.00 0.00 C ATOM 451 C TYR A 27 8.262 6.307 -7.732 1.00 0.00 C ATOM 452 O TYR A 27 8.237 7.505 -8.014 1.00 0.00 O ATOM 453 CB TYR A 27 10.514 5.255 -8.041 1.00 0.00 C ATOM 454 CG TYR A 27 10.945 6.346 -8.996 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.972 7.220 -8.663 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.327 6.500 -10.232 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.370 8.217 -9.532 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.720 7.496 -11.106 1.00 0.00 C ATOM 459 CZ TYR A 27 11.742 8.351 -10.751 1.00 0.00 C ATOM 460 OH TYR A 27 12.136 9.344 -11.619 1.00 0.00 O ATOM 0 H TYR A 27 9.371 3.659 -6.562 1.00 0.00 H new ATOM 0 HA TYR A 27 9.892 6.464 -6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.391 4.884 -7.510 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.113 4.421 -8.616 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.467 7.118 -7.709 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.527 5.831 -10.514 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.170 8.889 -9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.229 7.604 -12.062 1.00 0.00 H new ATOM 0 HH TYR A 27 11.593 9.301 -12.434 1.00 0.00 H new ATOM 470 N PHE A 28 7.262 5.478 -8.016 1.00 0.00 N ATOM 471 CA PHE A 28 6.065 5.941 -8.708 1.00 0.00 C ATOM 472 C PHE A 28 5.152 6.727 -7.771 1.00 0.00 C ATOM 473 O PHE A 28 4.789 7.868 -8.058 1.00 0.00 O ATOM 474 CB PHE A 28 5.306 4.755 -9.306 1.00 0.00 C ATOM 475 CG PHE A 28 4.560 5.098 -10.562 1.00 0.00 C ATOM 476 CD1 PHE A 28 5.171 4.976 -11.799 1.00 0.00 C ATOM 477 CD2 PHE A 28 3.250 5.545 -10.507 1.00 0.00 C ATOM 478 CE1 PHE A 28 4.489 5.293 -12.958 1.00 0.00 C ATOM 479 CE2 PHE A 28 2.562 5.862 -11.662 1.00 0.00 C ATOM 480 CZ PHE A 28 3.183 5.737 -12.890 1.00 0.00 C ATOM 0 H PHE A 28 7.257 4.486 -7.779 1.00 0.00 H new ATOM 0 HA PHE A 28 6.380 6.607 -9.512 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.011 3.952 -9.519 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.602 4.373 -8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.192 4.629 -11.858 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.761 5.647 -9.550 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.977 5.194 -13.916 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.540 6.207 -11.605 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.648 5.986 -13.795 1.00 0.00 H new ATOM 490 N ALA A 29 4.785 6.113 -6.650 1.00 0.00 N ATOM 491 CA ALA A 29 3.912 6.761 -5.678 1.00 0.00 C ATOM 492 C ALA A 29 4.601 7.955 -5.027 1.00 0.00 C ATOM 493 O ALA A 29 4.050 9.055 -4.987 1.00 0.00 O ATOM 494 CB ALA A 29 3.467 5.765 -4.617 1.00 0.00 C ATOM 0 H ALA A 29 5.078 5.170 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 29 3.033 7.127 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.816 6.264 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.925 4.947 -5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.341 5.369 -4.100 1.00 0.00 H new ATOM 500 N LEU A 30 5.808 7.732 -4.517 1.00 0.00 N ATOM 501 CA LEU A 30 6.567 8.795 -3.868 1.00 0.00 C ATOM 502 C LEU A 30 7.566 9.422 -4.836 1.00 0.00 C ATOM 503 O LEU A 30 8.699 8.958 -4.962 1.00 0.00 O ATOM 504 CB LEU A 30 7.308 8.256 -2.638 1.00 0.00 C ATOM 505 CG LEU A 30 6.453 7.484 -1.623 1.00 0.00 C ATOM 506 CD1 LEU A 30 5.139 8.204 -1.349 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.200 6.062 -2.101 1.00 0.00 C ATOM 0 H LEU A 30 6.280 6.828 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 30 5.860 9.561 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.110 7.602 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.777 9.095 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 30 7.009 7.436 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.555 7.633 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.345 9.196 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.575 8.299 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.592 5.534 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.675 6.087 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.152 5.545 -2.224 1.00 0.00 H new ATOM 519 N THR A 31 7.135 10.475 -5.523 1.00 0.00 N ATOM 520 CA THR A 31 7.992 11.167 -6.479 1.00 0.00 C ATOM 521 C THR A 31 8.761 12.301 -5.811 1.00 0.00 C ATOM 522 O THR A 31 9.967 12.451 -6.014 1.00 0.00 O ATOM 523 CB THR A 31 7.175 11.740 -7.651 1.00 0.00 C ATOM 524 OG1 THR A 31 6.305 12.777 -7.184 1.00 0.00 O ATOM 525 CG2 THR A 31 6.354 10.648 -8.318 1.00 0.00 C ATOM 0 H THR A 31 6.198 10.868 -5.436 1.00 0.00 H new ATOM 0 HA THR A 31 8.698 10.429 -6.861 1.00 0.00 H new ATOM 0 HB THR A 31 7.870 12.153 -8.382 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.791 13.136 -7.937 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.784 11.074 -9.144 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.020 9.873 -8.698 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.669 10.212 -7.591 1.00 0.00 H new ATOM 533 N GLU A 32 8.055 13.096 -5.014 1.00 0.00 N ATOM 534 CA GLU A 32 8.663 14.224 -4.322 1.00 0.00 C ATOM 535 C GLU A 32 9.089 13.842 -2.907 1.00 0.00 C ATOM 536 O GLU A 32 9.888 14.541 -2.283 1.00 0.00 O ATOM 537 CB GLU A 32 7.686 15.401 -4.273 1.00 0.00 C ATOM 538 CG GLU A 32 8.290 16.675 -3.701 1.00 0.00 C ATOM 539 CD GLU A 32 7.299 17.821 -3.660 1.00 0.00 C ATOM 540 OE1 GLU A 32 7.187 18.546 -4.673 1.00 0.00 O ATOM 541 OE2 GLU A 32 6.635 17.996 -2.617 1.00 0.00 O ATOM 0 H GLU A 32 7.058 12.978 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 32 9.554 14.517 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.323 15.602 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.821 15.119 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.655 16.479 -2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.152 16.966 -4.302 1.00 0.00 H new ATOM 548 N PHE A 33 8.558 12.731 -2.402 1.00 0.00 N ATOM 549 CA PHE A 33 8.893 12.279 -1.056 1.00 0.00 C ATOM 550 C PHE A 33 10.202 11.492 -1.052 1.00 0.00 C ATOM 551 O PHE A 33 10.893 11.431 -0.035 1.00 0.00 O ATOM 552 CB PHE A 33 7.760 11.417 -0.494 1.00 0.00 C ATOM 553 CG PHE A 33 6.430 12.114 -0.481 1.00 0.00 C ATOM 554 CD1 PHE A 33 6.196 13.173 0.381 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.412 11.710 -1.332 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.974 13.818 0.394 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.188 12.350 -1.322 1.00 0.00 C ATOM 558 CZ PHE A 33 3.969 13.406 -0.459 1.00 0.00 C ATOM 0 H PHE A 33 7.900 12.132 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 33 9.022 13.158 -0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.678 10.506 -1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.013 11.115 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.978 13.498 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.578 10.886 -2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.805 14.643 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.403 12.025 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.013 13.909 -0.451 1.00 0.00 H new ATOM 568 N GLN A 34 10.534 10.905 -2.200 1.00 0.00 N ATOM 569 CA GLN A 34 11.769 10.138 -2.356 1.00 0.00 C ATOM 570 C GLN A 34 12.059 9.261 -1.135 1.00 0.00 C ATOM 571 O GLN A 34 13.012 9.512 -0.398 1.00 0.00 O ATOM 572 CB GLN A 34 12.944 11.086 -2.611 1.00 0.00 C ATOM 573 CG GLN A 34 14.240 10.377 -2.976 1.00 0.00 C ATOM 574 CD GLN A 34 14.148 9.620 -4.288 1.00 0.00 C ATOM 575 OE1 GLN A 34 13.347 10.131 -5.216 1.00 0.00 O flip ATOM 576 NE2 GLN A 34 14.797 8.590 -4.468 1.00 0.00 N flip ATOM 0 H GLN A 34 9.960 10.946 -3.042 1.00 0.00 H new ATOM 0 HA GLN A 34 11.639 9.476 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.677 11.771 -3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.111 11.690 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.044 11.110 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.505 9.682 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.401 8.232 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.731 8.095 -5.357 1.00 0.00 H new ATOM 585 N ILE A 35 11.233 8.241 -0.916 1.00 0.00 N ATOM 586 CA ILE A 35 11.434 7.343 0.218 1.00 0.00 C ATOM 587 C ILE A 35 12.708 6.520 0.032 1.00 0.00 C ATOM 588 O ILE A 35 12.939 5.945 -1.031 1.00 0.00 O ATOM 589 CB ILE A 35 10.225 6.402 0.434 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.069 7.177 1.076 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.616 5.207 1.297 1.00 0.00 C ATOM 592 CD1 ILE A 35 7.836 6.335 1.349 1.00 0.00 C ATOM 0 H ILE A 35 10.428 8.017 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 35 11.534 7.966 1.107 1.00 0.00 H new ATOM 0 HB ILE A 35 9.900 6.023 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.414 7.612 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.793 8.005 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.750 4.559 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.412 4.648 0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.965 5.558 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.064 6.956 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.463 5.921 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.094 5.522 2.028 1.00 0.00 H new ATOM 604 N ALA A 36 13.529 6.475 1.077 1.00 0.00 N ATOM 605 CA ALA A 36 14.788 5.737 1.044 1.00 0.00 C ATOM 606 C ALA A 36 14.574 4.271 0.677 1.00 0.00 C ATOM 607 O ALA A 36 13.616 3.642 1.127 1.00 0.00 O ATOM 608 CB ALA A 36 15.486 5.851 2.390 1.00 0.00 C ATOM 0 H ALA A 36 13.343 6.944 1.963 1.00 0.00 H new ATOM 0 HA ALA A 36 15.418 6.177 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.425 5.299 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.688 6.900 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.845 5.436 3.168 1.00 0.00 H new ATOM 614 N ARG A 37 15.473 3.733 -0.147 1.00 0.00 N ATOM 615 CA ARG A 37 15.386 2.340 -0.575 1.00 0.00 C ATOM 616 C ARG A 37 15.607 1.391 0.597 1.00 0.00 C ATOM 617 O ARG A 37 15.006 0.319 0.663 1.00 0.00 O ATOM 618 CB ARG A 37 16.408 2.053 -1.681 1.00 0.00 C ATOM 619 CG ARG A 37 17.853 2.242 -1.246 1.00 0.00 C ATOM 620 CD ARG A 37 18.824 1.856 -2.351 1.00 0.00 C ATOM 621 NE ARG A 37 18.702 2.724 -3.520 1.00 0.00 N ATOM 622 CZ ARG A 37 19.372 2.536 -4.654 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.202 1.509 -4.776 1.00 0.00 N ATOM 624 NH2 ARG A 37 19.210 3.375 -5.668 1.00 0.00 N ATOM 0 H ARG A 37 16.269 4.242 -0.531 1.00 0.00 H new ATOM 0 HA ARG A 37 14.383 2.174 -0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.274 1.029 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.205 2.707 -2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.016 3.282 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.049 1.638 -0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.844 1.904 -1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.643 0.823 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 37 18.067 3.520 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.328 0.860 -3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.714 1.368 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.571 4.165 -5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 37 19.724 3.230 -6.537 1.00 0.00 H new ATOM 638 N SER A 38 16.478 1.789 1.519 1.00 0.00 N ATOM 639 CA SER A 38 16.779 0.977 2.693 1.00 0.00 C ATOM 640 C SER A 38 15.531 0.775 3.546 1.00 0.00 C ATOM 641 O SER A 38 15.396 -0.235 4.238 1.00 0.00 O ATOM 642 CB SER A 38 17.878 1.639 3.525 1.00 0.00 C ATOM 643 OG SER A 38 19.070 1.786 2.772 1.00 0.00 O ATOM 0 H SER A 38 16.989 2.671 1.476 1.00 0.00 H new ATOM 0 HA SER A 38 17.127 0.002 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.539 2.616 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 38 18.077 1.039 4.413 1.00 0.00 H new ATOM 0 HG SER A 38 19.756 2.213 3.326 1.00 0.00 H new ATOM 649 N THR A 39 14.623 1.744 3.488 1.00 0.00 N ATOM 650 CA THR A 39 13.381 1.689 4.252 1.00 0.00 C ATOM 651 C THR A 39 12.570 0.439 3.913 1.00 0.00 C ATOM 652 O THR A 39 11.721 0.009 4.694 1.00 0.00 O ATOM 653 CB THR A 39 12.516 2.937 3.988 1.00 0.00 C ATOM 654 OG1 THR A 39 13.288 4.124 4.204 1.00 0.00 O ATOM 655 CG2 THR A 39 11.295 2.956 4.892 1.00 0.00 C ATOM 0 H THR A 39 14.725 2.582 2.916 1.00 0.00 H new ATOM 0 HA THR A 39 13.658 1.655 5.306 1.00 0.00 H new ATOM 0 HB THR A 39 12.181 2.901 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.731 4.912 4.032 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.703 3.847 4.685 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.691 2.068 4.707 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.614 2.967 5.934 1.00 0.00 H new ATOM 663 N LEU A 40 12.848 -0.146 2.751 1.00 0.00 N ATOM 664 CA LEU A 40 12.141 -1.343 2.300 1.00 0.00 C ATOM 665 C LEU A 40 12.284 -2.495 3.294 1.00 0.00 C ATOM 666 O LEU A 40 11.598 -3.511 3.177 1.00 0.00 O ATOM 667 CB LEU A 40 12.660 -1.776 0.928 1.00 0.00 C ATOM 668 CG LEU A 40 12.311 -0.833 -0.224 1.00 0.00 C ATOM 669 CD1 LEU A 40 13.096 -1.205 -1.471 1.00 0.00 C ATOM 670 CD2 LEU A 40 10.816 -0.869 -0.505 1.00 0.00 C ATOM 0 H LEU A 40 13.560 0.190 2.102 1.00 0.00 H new ATOM 0 HA LEU A 40 11.083 -1.091 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.744 -1.874 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.261 -2.765 0.701 1.00 0.00 H new ATOM 0 HG LEU A 40 12.584 0.182 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.836 -0.524 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.164 -1.132 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.852 -2.226 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.584 -0.192 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.521 -1.883 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.271 -0.557 0.386 1.00 0.00 H new ATOM 682 N ASP A 41 13.175 -2.336 4.267 1.00 0.00 N ATOM 683 CA ASP A 41 13.396 -3.370 5.276 1.00 0.00 C ATOM 684 C ASP A 41 12.105 -3.674 6.031 1.00 0.00 C ATOM 685 O ASP A 41 11.816 -4.828 6.348 1.00 0.00 O ATOM 686 CB ASP A 41 14.484 -2.933 6.259 1.00 0.00 C ATOM 687 CG ASP A 41 14.800 -4.004 7.285 1.00 0.00 C ATOM 688 OD1 ASP A 41 15.512 -4.970 6.937 1.00 0.00 O ATOM 689 OD2 ASP A 41 14.339 -3.876 8.439 1.00 0.00 O ATOM 0 H ASP A 41 13.755 -1.505 4.380 1.00 0.00 H new ATOM 0 HA ASP A 41 13.723 -4.276 4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.390 -2.684 5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.164 -2.026 6.772 1.00 0.00 H new ATOM 694 N VAL A 42 11.336 -2.628 6.314 1.00 0.00 N ATOM 695 CA VAL A 42 10.074 -2.772 7.032 1.00 0.00 C ATOM 696 C VAL A 42 9.035 -1.792 6.504 1.00 0.00 C ATOM 697 O VAL A 42 7.996 -1.574 7.129 1.00 0.00 O ATOM 698 CB VAL A 42 10.256 -2.530 8.539 1.00 0.00 C ATOM 699 CG1 VAL A 42 11.054 -3.658 9.173 1.00 0.00 C ATOM 700 CG2 VAL A 42 10.929 -1.188 8.785 1.00 0.00 C ATOM 0 H VAL A 42 11.565 -1.668 6.056 1.00 0.00 H new ATOM 0 HA VAL A 42 9.732 -3.794 6.871 1.00 0.00 H new ATOM 0 HB VAL A 42 9.271 -2.510 9.005 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.171 -3.466 10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.527 -4.602 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 42 12.037 -3.716 8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.050 -1.033 9.857 1.00 0.00 H new ATOM 0 HG22 VAL A 42 11.907 -1.178 8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.313 -0.390 8.370 1.00 0.00 H new ATOM 710 N ALA A 43 9.327 -1.208 5.350 1.00 0.00 N ATOM 711 CA ALA A 43 8.438 -0.238 4.725 1.00 0.00 C ATOM 712 C ALA A 43 7.014 -0.754 4.602 1.00 0.00 C ATOM 713 O ALA A 43 6.061 -0.021 4.828 1.00 0.00 O ATOM 714 CB ALA A 43 8.966 0.148 3.352 1.00 0.00 C ATOM 0 H ALA A 43 10.181 -1.391 4.823 1.00 0.00 H new ATOM 0 HA ALA A 43 8.414 0.639 5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.293 0.873 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.958 0.587 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.025 -0.740 2.722 1.00 0.00 H new ATOM 720 N ASP A 44 6.866 -2.028 4.309 1.00 0.00 N ATOM 721 CA ASP A 44 5.541 -2.586 4.100 1.00 0.00 C ATOM 722 C ASP A 44 4.613 -2.393 5.299 1.00 0.00 C ATOM 723 O ASP A 44 3.515 -1.856 5.144 1.00 0.00 O ATOM 724 CB ASP A 44 5.654 -4.076 3.772 1.00 0.00 C ATOM 725 CG ASP A 44 6.411 -4.848 4.834 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.659 -4.852 4.790 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.754 -5.449 5.712 1.00 0.00 O ATOM 0 H ASP A 44 7.634 -2.692 4.210 1.00 0.00 H new ATOM 0 HA ASP A 44 5.098 -2.044 3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.655 -4.498 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.157 -4.196 2.812 1.00 0.00 H new ATOM 732 N ARG A 45 5.029 -2.819 6.488 1.00 0.00 N ATOM 733 CA ARG A 45 4.162 -2.686 7.658 1.00 0.00 C ATOM 734 C ARG A 45 4.151 -1.298 8.323 1.00 0.00 C ATOM 735 O ARG A 45 3.117 -0.630 8.361 1.00 0.00 O ATOM 736 CB ARG A 45 4.508 -3.759 8.699 1.00 0.00 C ATOM 737 CG ARG A 45 5.992 -3.880 9.013 1.00 0.00 C ATOM 738 CD ARG A 45 6.269 -5.070 9.917 1.00 0.00 C ATOM 739 NE ARG A 45 7.677 -5.157 10.295 1.00 0.00 N ATOM 740 CZ ARG A 45 8.141 -5.967 11.242 1.00 0.00 C ATOM 741 NH1 ARG A 45 7.310 -6.758 11.908 1.00 0.00 N ATOM 742 NH2 ARG A 45 9.436 -5.988 11.524 1.00 0.00 N ATOM 0 H ARG A 45 5.937 -3.249 6.667 1.00 0.00 H new ATOM 0 HA ARG A 45 3.152 -2.825 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.971 -3.538 9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.145 -4.723 8.342 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.555 -3.986 8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.340 -2.966 9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.657 -4.992 10.816 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.973 -5.988 9.408 1.00 0.00 H new ATOM 0 HE ARG A 45 8.344 -4.561 9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.313 -6.746 11.694 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.668 -7.378 12.634 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.079 -5.382 11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.790 -6.610 12.251 1.00 0.00 H new ATOM 756 N THR A 46 5.305 -0.870 8.842 1.00 0.00 N ATOM 757 CA THR A 46 5.405 0.392 9.590 1.00 0.00 C ATOM 758 C THR A 46 5.589 1.686 8.783 1.00 0.00 C ATOM 759 O THR A 46 4.777 2.607 8.886 1.00 0.00 O ATOM 760 CB THR A 46 6.542 0.310 10.627 1.00 0.00 C ATOM 761 OG1 THR A 46 6.757 1.594 11.225 1.00 0.00 O ATOM 762 CG2 THR A 46 7.832 -0.179 9.984 1.00 0.00 C ATOM 0 H THR A 46 6.186 -1.378 8.759 1.00 0.00 H new ATOM 0 HA THR A 46 4.417 0.478 10.042 1.00 0.00 H new ATOM 0 HB THR A 46 6.247 -0.403 11.397 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.480 1.531 11.883 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.618 -0.228 10.737 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.674 -1.170 9.560 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.129 0.511 9.194 1.00 0.00 H new ATOM 770 N GLU A 47 6.652 1.752 7.985 1.00 0.00 N ATOM 771 CA GLU A 47 7.004 2.982 7.266 1.00 0.00 C ATOM 772 C GLU A 47 6.072 3.380 6.117 1.00 0.00 C ATOM 773 O GLU A 47 5.487 4.461 6.152 1.00 0.00 O ATOM 774 CB GLU A 47 8.438 2.867 6.756 1.00 0.00 C ATOM 775 CG GLU A 47 9.478 3.333 7.765 1.00 0.00 C ATOM 776 CD GLU A 47 9.349 4.806 8.099 1.00 0.00 C ATOM 777 OE1 GLU A 47 8.571 5.141 9.016 1.00 0.00 O ATOM 778 OE2 GLU A 47 10.025 5.625 7.441 1.00 0.00 O ATOM 0 H GLU A 47 7.286 0.971 7.818 1.00 0.00 H new ATOM 0 HA GLU A 47 6.892 3.784 7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.639 1.829 6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.539 3.454 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.380 2.747 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.475 3.140 7.369 1.00 0.00 H new ATOM 785 N LEU A 48 5.932 2.533 5.109 1.00 0.00 N ATOM 786 CA LEU A 48 5.086 2.864 3.959 1.00 0.00 C ATOM 787 C LEU A 48 3.647 3.144 4.379 1.00 0.00 C ATOM 788 O LEU A 48 3.020 4.077 3.881 1.00 0.00 O ATOM 789 CB LEU A 48 5.114 1.746 2.913 1.00 0.00 C ATOM 790 CG LEU A 48 5.222 2.209 1.458 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.189 1.016 0.518 1.00 0.00 C ATOM 792 CD2 LEU A 48 4.107 3.188 1.112 1.00 0.00 C ATOM 0 H LEU A 48 6.385 1.620 5.058 1.00 0.00 H new ATOM 0 HA LEU A 48 5.495 3.772 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.956 1.089 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.208 1.149 3.020 1.00 0.00 H new ATOM 0 HG LEU A 48 6.175 2.724 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.267 1.363 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.025 0.353 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.252 0.475 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.207 3.501 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.141 2.704 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.174 4.060 1.762 1.00 0.00 H new ATOM 804 N ALA A 49 3.131 2.339 5.299 1.00 0.00 N ATOM 805 CA ALA A 49 1.758 2.500 5.768 1.00 0.00 C ATOM 806 C ALA A 49 1.528 3.873 6.398 1.00 0.00 C ATOM 807 O ALA A 49 0.622 4.601 5.999 1.00 0.00 O ATOM 808 CB ALA A 49 1.409 1.401 6.759 1.00 0.00 C ATOM 0 H ALA A 49 3.640 1.570 5.735 1.00 0.00 H new ATOM 0 HA ALA A 49 1.103 2.424 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.383 1.532 7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.509 0.429 6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.085 1.452 7.612 1.00 0.00 H new ATOM 814 N ASP A 50 2.348 4.218 7.386 1.00 0.00 N ATOM 815 CA ASP A 50 2.223 5.498 8.081 1.00 0.00 C ATOM 816 C ASP A 50 2.579 6.684 7.181 1.00 0.00 C ATOM 817 O ASP A 50 1.965 7.747 7.272 1.00 0.00 O ATOM 818 CB ASP A 50 3.113 5.511 9.324 1.00 0.00 C ATOM 819 CG ASP A 50 2.984 6.799 10.114 1.00 0.00 C ATOM 820 OD1 ASP A 50 3.703 7.768 9.790 1.00 0.00 O ATOM 821 OD2 ASP A 50 2.164 6.839 11.056 1.00 0.00 O ATOM 0 H ASP A 50 3.108 3.629 7.725 1.00 0.00 H new ATOM 0 HA ASP A 50 1.178 5.605 8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.852 4.668 9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.152 5.374 9.025 1.00 0.00 H new ATOM 826 N HIS A 51 3.570 6.494 6.315 1.00 0.00 N ATOM 827 CA HIS A 51 4.029 7.558 5.420 1.00 0.00 C ATOM 828 C HIS A 51 2.916 8.067 4.506 1.00 0.00 C ATOM 829 O HIS A 51 2.604 9.258 4.504 1.00 0.00 O ATOM 830 CB HIS A 51 5.204 7.067 4.570 1.00 0.00 C ATOM 831 CG HIS A 51 5.831 8.145 3.741 1.00 0.00 C ATOM 832 ND1 HIS A 51 5.409 8.484 2.475 1.00 0.00 N ATOM 833 CD2 HIS A 51 6.875 8.968 4.020 1.00 0.00 C ATOM 834 CE1 HIS A 51 6.190 9.480 2.035 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.096 9.810 2.935 1.00 0.00 N ATOM 0 H HIS A 51 4.073 5.613 6.212 1.00 0.00 H new ATOM 0 HA HIS A 51 4.348 8.388 6.050 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.961 6.636 5.225 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.859 6.269 3.913 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.443 8.969 4.938 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.090 9.952 1.068 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.811 10.533 2.852 1.00 0.00 H new ATOM 843 N LEU A 52 2.329 7.165 3.728 1.00 0.00 N ATOM 844 CA LEU A 52 1.269 7.531 2.794 1.00 0.00 C ATOM 845 C LEU A 52 0.142 8.308 3.480 1.00 0.00 C ATOM 846 O LEU A 52 -0.489 9.166 2.863 1.00 0.00 O ATOM 847 CB LEU A 52 0.719 6.287 2.086 1.00 0.00 C ATOM 848 CG LEU A 52 0.290 5.135 2.999 1.00 0.00 C ATOM 849 CD1 LEU A 52 -1.141 5.327 3.476 1.00 0.00 C ATOM 850 CD2 LEU A 52 0.436 3.804 2.275 1.00 0.00 C ATOM 0 H LEU A 52 2.569 6.174 3.725 1.00 0.00 H new ATOM 0 HA LEU A 52 1.708 8.192 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.138 6.585 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.480 5.917 1.399 1.00 0.00 H new ATOM 0 HG LEU A 52 0.941 5.130 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.423 4.496 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.217 6.262 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.810 5.361 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.127 2.994 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.192 3.804 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.477 3.659 1.986 1.00 0.00 H new ATOM 862 N ILE A 53 -0.109 8.005 4.754 1.00 0.00 N ATOM 863 CA ILE A 53 -1.166 8.682 5.505 1.00 0.00 C ATOM 864 C ILE A 53 -0.971 10.196 5.500 1.00 0.00 C ATOM 865 O ILE A 53 -1.937 10.955 5.419 1.00 0.00 O ATOM 866 CB ILE A 53 -1.228 8.194 6.969 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.485 6.687 7.017 1.00 0.00 C ATOM 868 CG2 ILE A 53 -2.312 8.945 7.733 1.00 0.00 C ATOM 869 CD1 ILE A 53 -1.401 6.101 8.410 1.00 0.00 C ATOM 0 H ILE A 53 0.402 7.300 5.285 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.103 8.436 5.006 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.268 8.396 7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.473 6.482 6.605 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.762 6.183 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.343 8.590 8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.091 10.012 7.724 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.278 8.771 7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.594 5.029 8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.405 6.274 8.818 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.143 6.578 9.051 1.00 0.00 H new ATOM 881 N GLN A 54 0.280 10.631 5.586 1.00 0.00 N ATOM 882 CA GLN A 54 0.594 12.055 5.598 1.00 0.00 C ATOM 883 C GLN A 54 0.445 12.670 4.210 1.00 0.00 C ATOM 884 O GLN A 54 0.173 13.864 4.077 1.00 0.00 O ATOM 885 CB GLN A 54 2.014 12.279 6.118 1.00 0.00 C ATOM 886 CG GLN A 54 2.240 11.747 7.524 1.00 0.00 C ATOM 887 CD GLN A 54 3.644 12.012 8.028 1.00 0.00 C ATOM 888 OE1 GLN A 54 4.548 11.197 7.843 1.00 0.00 O ATOM 889 NE2 GLN A 54 3.834 13.160 8.668 1.00 0.00 N ATOM 0 H GLN A 54 1.093 10.019 5.648 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.115 12.547 6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.720 11.800 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.233 13.347 6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.521 12.207 8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.049 10.674 7.538 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.056 13.806 8.799 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.758 13.396 9.029 1.00 0.00 H new ATOM 898 N SER A 55 0.624 11.850 3.181 1.00 0.00 N ATOM 899 CA SER A 55 0.523 12.320 1.803 1.00 0.00 C ATOM 900 C SER A 55 -0.897 12.768 1.461 1.00 0.00 C ATOM 901 O SER A 55 -1.110 13.912 1.059 1.00 0.00 O ATOM 902 CB SER A 55 0.970 11.220 0.838 1.00 0.00 C ATOM 903 OG SER A 55 2.307 10.827 1.096 1.00 0.00 O ATOM 0 H SER A 55 0.840 10.857 3.274 1.00 0.00 H new ATOM 0 HA SER A 55 1.179 13.184 1.699 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.310 10.358 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.884 11.576 -0.189 1.00 0.00 H new ATOM 0 HG SER A 55 2.916 11.353 0.537 1.00 0.00 H new ATOM 909 N ALA A 56 -1.866 11.869 1.618 1.00 0.00 N ATOM 910 CA ALA A 56 -3.258 12.193 1.308 1.00 0.00 C ATOM 911 C ALA A 56 -4.183 11.961 2.500 1.00 0.00 C ATOM 912 O ALA A 56 -5.141 12.706 2.705 1.00 0.00 O ATOM 913 CB ALA A 56 -3.729 11.377 0.114 1.00 0.00 C ATOM 0 H ALA A 56 -1.716 10.918 1.955 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.300 13.255 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.767 11.625 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.107 11.606 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.652 10.315 0.346 1.00 0.00 H new ATOM 919 N GLY A 57 -3.892 10.928 3.282 1.00 0.00 N ATOM 920 CA GLY A 57 -4.717 10.612 4.436 1.00 0.00 C ATOM 921 C GLY A 57 -4.702 9.132 4.760 1.00 0.00 C ATOM 922 O GLY A 57 -4.039 8.353 4.078 1.00 0.00 O ATOM 0 H GLY A 57 -3.099 10.302 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.363 11.175 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.742 10.931 4.246 1.00 0.00 H new ATOM 926 N ALA A 58 -5.432 8.738 5.797 1.00 0.00 N ATOM 927 CA ALA A 58 -5.479 7.336 6.193 1.00 0.00 C ATOM 928 C ALA A 58 -6.259 6.500 5.182 1.00 0.00 C ATOM 929 O ALA A 58 -5.684 5.697 4.452 1.00 0.00 O ATOM 930 CB ALA A 58 -6.095 7.197 7.577 1.00 0.00 C ATOM 0 H ALA A 58 -5.995 9.363 6.374 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.455 6.962 6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.123 6.144 7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.495 7.750 8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.109 7.597 7.566 1.00 0.00 H new ATOM 936 N ALA A 59 -7.572 6.701 5.141 1.00 0.00 N ATOM 937 CA ALA A 59 -8.432 5.960 4.224 1.00 0.00 C ATOM 938 C ALA A 59 -8.184 6.348 2.768 1.00 0.00 C ATOM 939 O ALA A 59 -8.232 5.503 1.876 1.00 0.00 O ATOM 940 CB ALA A 59 -9.892 6.181 4.583 1.00 0.00 C ATOM 0 H ALA A 59 -8.064 7.371 5.732 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.188 4.903 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.525 5.624 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.073 5.835 5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.127 7.243 4.514 1.00 0.00 H new ATOM 946 N SER A 60 -7.914 7.628 2.536 1.00 0.00 N ATOM 947 CA SER A 60 -7.684 8.136 1.185 1.00 0.00 C ATOM 948 C SER A 60 -6.446 7.523 0.531 1.00 0.00 C ATOM 949 O SER A 60 -6.531 6.954 -0.558 1.00 0.00 O ATOM 950 CB SER A 60 -7.547 9.660 1.214 1.00 0.00 C ATOM 951 OG SER A 60 -7.384 10.181 -0.093 1.00 0.00 O ATOM 0 H SER A 60 -7.849 8.336 3.267 1.00 0.00 H new ATOM 0 HA SER A 60 -8.548 7.848 0.585 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.431 10.099 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.692 9.940 1.830 1.00 0.00 H new ATOM 0 HG SER A 60 -7.300 11.156 -0.048 1.00 0.00 H new ATOM 957 N ALA A 61 -5.299 7.643 1.191 1.00 0.00 N ATOM 958 CA ALA A 61 -4.044 7.125 0.648 1.00 0.00 C ATOM 959 C ALA A 61 -4.035 5.602 0.528 1.00 0.00 C ATOM 960 O ALA A 61 -3.650 5.060 -0.508 1.00 0.00 O ATOM 961 CB ALA A 61 -2.872 7.591 1.497 1.00 0.00 C ATOM 0 H ALA A 61 -5.210 8.094 2.102 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.947 7.524 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.944 7.199 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.836 8.680 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.995 7.229 2.518 1.00 0.00 H new ATOM 967 N VAL A 62 -4.454 4.912 1.585 1.00 0.00 N ATOM 968 CA VAL A 62 -4.468 3.450 1.583 1.00 0.00 C ATOM 969 C VAL A 62 -5.329 2.888 0.449 1.00 0.00 C ATOM 970 O VAL A 62 -5.028 1.827 -0.098 1.00 0.00 O ATOM 971 CB VAL A 62 -4.961 2.886 2.933 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.080 1.369 2.882 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.023 3.307 4.055 1.00 0.00 C ATOM 0 H VAL A 62 -4.787 5.338 2.450 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.437 3.134 1.424 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.952 3.295 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.429 0.999 3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.791 1.086 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.106 0.935 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.383 2.902 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.022 2.926 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.992 4.395 4.114 1.00 0.00 H new ATOM 983 N THR A 63 -6.392 3.603 0.090 1.00 0.00 N ATOM 984 CA THR A 63 -7.281 3.154 -0.979 1.00 0.00 C ATOM 985 C THR A 63 -6.683 3.423 -2.358 1.00 0.00 C ATOM 986 O THR A 63 -6.605 2.522 -3.193 1.00 0.00 O ATOM 987 CB THR A 63 -8.666 3.824 -0.892 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.523 5.243 -0.761 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.459 3.275 0.285 1.00 0.00 C ATOM 0 H THR A 63 -6.658 4.489 0.520 1.00 0.00 H new ATOM 0 HA THR A 63 -7.400 2.079 -0.844 1.00 0.00 H new ATOM 0 HB THR A 63 -9.209 3.602 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.663 5.501 0.174 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.433 3.762 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 63 -9.596 2.201 0.162 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.917 3.468 1.211 1.00 0.00 H new ATOM 997 N LYS A 64 -6.262 4.662 -2.592 1.00 0.00 N ATOM 998 CA LYS A 64 -5.673 5.037 -3.875 1.00 0.00 C ATOM 999 C LYS A 64 -4.404 4.236 -4.145 1.00 0.00 C ATOM 1000 O LYS A 64 -4.015 4.041 -5.296 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.357 6.532 -3.904 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.307 6.950 -2.890 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.535 8.169 -3.364 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.555 8.656 -2.310 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.570 7.603 -1.937 1.00 0.00 N ATOM 0 H LYS A 64 -6.317 5.422 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.400 4.813 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.014 6.803 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.273 7.092 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.787 7.169 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.617 6.124 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.995 7.925 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.233 8.969 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.025 9.532 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.104 8.970 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.822 8.021 -1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.051 6.851 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.149 7.201 -2.799 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.762 3.780 -3.073 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.536 2.999 -3.185 1.00 0.00 C ATOM 1021 C ALA A 65 -2.740 1.800 -4.102 1.00 0.00 C ATOM 1022 O ALA A 65 -1.811 1.352 -4.776 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.074 2.542 -1.810 1.00 0.00 C ATOM 0 H ALA A 65 -4.072 3.939 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.764 3.634 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.158 1.960 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.885 3.412 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.848 1.926 -1.352 1.00 0.00 H new ATOM 1029 N ILE A 66 -3.963 1.284 -4.117 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.302 0.134 -4.945 1.00 0.00 C ATOM 1031 C ILE A 66 -4.308 0.503 -6.425 1.00 0.00 C ATOM 1032 O ILE A 66 -3.848 -0.267 -7.267 1.00 0.00 O ATOM 1033 CB ILE A 66 -5.684 -0.440 -4.567 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -5.713 -0.846 -3.090 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.034 -1.625 -5.460 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -4.774 -1.983 -2.744 1.00 0.00 C ATOM 0 H ILE A 66 -4.739 1.646 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.538 -0.622 -4.765 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.433 0.336 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.457 0.021 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.730 -1.134 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.012 -2.016 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.058 -1.302 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.283 -2.405 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.854 -2.210 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.042 -2.866 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.750 -1.693 -2.977 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.828 1.687 -6.734 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.907 2.160 -8.113 1.00 0.00 C ATOM 1050 C ASN A 67 -3.526 2.241 -8.757 1.00 0.00 C ATOM 1051 O ASN A 67 -3.356 1.902 -9.929 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.581 3.532 -8.161 1.00 0.00 C ATOM 1053 CG ASN A 67 -6.953 3.524 -7.516 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -7.653 2.511 -7.532 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -7.345 4.656 -6.943 1.00 0.00 N ATOM 0 H ASN A 67 -5.203 2.339 -6.045 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.502 1.441 -8.677 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.949 4.262 -7.656 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.672 3.853 -9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.259 4.710 -6.493 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.732 5.472 -6.953 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.547 2.704 -7.991 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.181 2.835 -8.489 1.00 0.00 C ATOM 1064 C ILE A 68 -0.472 1.484 -8.558 1.00 0.00 C ATOM 1065 O ILE A 68 0.091 1.119 -9.590 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.358 3.792 -7.604 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.065 5.145 -7.490 1.00 0.00 C ATOM 1068 CG2 ILE A 68 1.047 3.964 -8.168 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.468 6.059 -6.440 1.00 0.00 C ATOM 0 H ILE A 68 -2.672 2.996 -7.022 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.253 3.244 -9.497 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.274 3.361 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.029 5.646 -8.457 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.116 4.977 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.614 4.643 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.546 2.996 -8.202 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.987 4.377 -9.175 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.021 6.998 -6.418 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.528 5.579 -5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.576 6.259 -6.682 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.509 0.747 -7.453 1.00 0.00 N ATOM 1082 CA PHE A 69 0.150 -0.555 -7.361 1.00 0.00 C ATOM 1083 C PHE A 69 -0.376 -1.555 -8.389 1.00 0.00 C ATOM 1084 O PHE A 69 0.371 -2.415 -8.857 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.029 -1.135 -5.956 1.00 0.00 C ATOM 1086 CG PHE A 69 0.742 -2.404 -5.728 1.00 0.00 C ATOM 1087 CD1 PHE A 69 2.125 -2.384 -5.660 1.00 0.00 C ATOM 1088 CD2 PHE A 69 0.084 -3.615 -5.585 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.839 -3.549 -5.454 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.793 -4.784 -5.377 1.00 0.00 C ATOM 1091 CZ PHE A 69 2.173 -4.750 -5.312 1.00 0.00 C ATOM 0 H PHE A 69 -0.992 1.031 -6.601 1.00 0.00 H new ATOM 0 HA PHE A 69 1.206 -0.389 -7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.284 -0.392 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.088 -1.327 -5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.651 -1.447 -5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.994 -3.646 -5.637 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.917 -3.520 -5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.269 -5.722 -5.266 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.730 -5.661 -5.150 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.651 -1.447 -8.740 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.251 -2.376 -9.694 1.00 0.00 C ATOM 1103 C GLN A 70 -1.724 -2.162 -11.115 1.00 0.00 C ATOM 1104 O GLN A 70 -1.148 -3.066 -11.715 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.785 -2.274 -9.661 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.347 -0.942 -10.131 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.860 -0.888 -10.052 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.428 -0.504 -9.031 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.521 -1.276 -11.137 1.00 0.00 N ATOM 0 H GLN A 70 -2.286 -0.733 -8.383 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.961 -3.382 -9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.201 -3.067 -10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.125 -2.456 -8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.926 -0.140 -9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.034 -0.762 -11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.009 -1.587 -11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.541 -1.263 -11.145 1.00 0.00 H new ATOM 1118 N LYS A 71 -1.893 -0.957 -11.635 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.472 -0.640 -12.995 1.00 0.00 C ATOM 1120 C LYS A 71 0.047 -0.665 -13.151 1.00 0.00 C ATOM 1121 O LYS A 71 0.558 -0.570 -14.267 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.012 0.733 -13.399 1.00 0.00 C ATOM 1123 CG LYS A 71 -1.818 1.060 -14.872 1.00 0.00 C ATOM 1124 CD LYS A 71 -2.445 2.397 -15.238 1.00 0.00 C ATOM 1125 CE LYS A 71 -1.733 3.557 -14.559 1.00 0.00 C ATOM 1126 NZ LYS A 71 -0.296 3.629 -14.946 1.00 0.00 N ATOM 0 H LYS A 71 -2.321 -0.177 -11.135 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.881 -1.409 -13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.075 0.779 -13.163 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.519 1.498 -12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.753 1.082 -15.103 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.260 0.272 -15.481 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.410 2.531 -16.319 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.496 2.397 -14.950 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.228 4.492 -14.823 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.813 3.449 -13.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.081 4.568 -14.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.239 2.901 -14.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.204 3.468 -15.969 1.00 0.00 H new ATOM 1140 N LEU A 72 0.775 -0.802 -12.045 1.00 0.00 N ATOM 1141 CA LEU A 72 2.233 -0.781 -12.115 1.00 0.00 C ATOM 1142 C LEU A 72 2.897 -2.147 -11.982 1.00 0.00 C ATOM 1143 O LEU A 72 3.857 -2.437 -12.696 1.00 0.00 O ATOM 1144 CB LEU A 72 2.755 0.093 -10.983 1.00 0.00 C ATOM 1145 CG LEU A 72 3.344 1.439 -11.397 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.638 1.241 -12.173 1.00 0.00 C ATOM 1147 CD2 LEU A 72 2.342 2.239 -12.219 1.00 0.00 C ATOM 0 H LEU A 72 0.389 -0.926 -11.109 1.00 0.00 H new ATOM 0 HA LEU A 72 2.482 -0.402 -13.106 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.938 0.275 -10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.519 -0.465 -10.442 1.00 0.00 H new ATOM 0 HG LEU A 72 3.569 2.004 -10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.043 2.212 -12.459 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.361 0.717 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.439 0.652 -13.069 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.784 3.194 -12.502 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.079 1.680 -13.117 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.444 2.416 -11.627 1.00 0.00 H new ATOM 1159 N ASN A 73 2.403 -2.986 -11.083 1.00 0.00 N ATOM 1160 CA ASN A 73 3.030 -4.291 -10.883 1.00 0.00 C ATOM 1161 C ASN A 73 2.084 -5.480 -11.035 1.00 0.00 C ATOM 1162 O ASN A 73 2.380 -6.421 -11.772 1.00 0.00 O ATOM 1163 CB ASN A 73 3.681 -4.336 -9.499 1.00 0.00 C ATOM 1164 CG ASN A 73 4.645 -5.495 -9.348 1.00 0.00 C ATOM 1165 OD1 ASN A 73 4.490 -6.538 -9.984 1.00 0.00 O ATOM 1166 ND2 ASN A 73 5.650 -5.318 -8.499 1.00 0.00 N ATOM 0 H ASN A 73 1.592 -2.798 -10.493 1.00 0.00 H new ATOM 0 HA ASN A 73 3.770 -4.392 -11.677 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.212 -3.401 -9.320 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.904 -4.412 -8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 73 6.332 -6.063 -8.353 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.741 -4.437 -7.992 1.00 0.00 H new ATOM 1173 N TYR A 74 0.952 -5.441 -10.341 1.00 0.00 N ATOM 1174 CA TYR A 74 0.022 -6.572 -10.360 1.00 0.00 C ATOM 1175 C TYR A 74 -1.444 -6.163 -10.464 1.00 0.00 C ATOM 1176 O TYR A 74 -2.226 -6.415 -9.546 1.00 0.00 O ATOM 1177 CB TYR A 74 0.233 -7.448 -9.125 1.00 0.00 C ATOM 1178 CG TYR A 74 1.361 -8.443 -9.276 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.261 -9.500 -10.174 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.522 -8.331 -8.522 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.287 -10.415 -10.315 1.00 0.00 C ATOM 1182 CE2 TYR A 74 3.553 -9.242 -8.660 1.00 0.00 C ATOM 1183 CZ TYR A 74 3.430 -10.282 -9.557 1.00 0.00 C ATOM 1184 OH TYR A 74 4.452 -11.193 -9.696 1.00 0.00 O ATOM 0 H TYR A 74 0.656 -4.653 -9.765 1.00 0.00 H new ATOM 0 HA TYR A 74 0.248 -7.135 -11.266 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.436 -6.808 -8.266 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.690 -7.987 -8.910 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.367 -9.608 -10.771 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.621 -7.519 -7.817 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.193 -11.231 -11.016 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.450 -9.139 -8.068 1.00 0.00 H new ATOM 0 HH TYR A 74 5.186 -10.956 -9.091 1.00 0.00 H new ATOM 1194 N MET A 75 -1.815 -5.523 -11.565 1.00 0.00 N ATOM 1195 CA MET A 75 -3.199 -5.098 -11.767 1.00 0.00 C ATOM 1196 C MET A 75 -4.169 -6.256 -11.539 1.00 0.00 C ATOM 1197 O MET A 75 -5.358 -6.041 -11.302 1.00 0.00 O ATOM 1198 CB MET A 75 -3.378 -4.540 -13.180 1.00 0.00 C ATOM 1199 CG MET A 75 -2.932 -5.498 -14.272 1.00 0.00 C ATOM 1200 SD MET A 75 -3.177 -4.829 -15.929 1.00 0.00 S ATOM 1201 CE MET A 75 -4.960 -4.672 -15.974 1.00 0.00 C ATOM 0 H MET A 75 -1.183 -5.286 -12.330 1.00 0.00 H new ATOM 0 HA MET A 75 -3.422 -4.317 -11.040 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.428 -4.291 -13.333 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.814 -3.612 -13.270 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.877 -5.735 -14.133 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.484 -6.433 -14.177 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.294 -4.618 -17.010 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.414 -5.537 -15.491 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.259 -3.765 -15.449 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.657 -7.481 -11.614 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.473 -8.674 -11.412 1.00 0.00 C ATOM 1213 C HIS A 76 -4.672 -8.973 -9.923 1.00 0.00 C ATOM 1214 O HIS A 76 -5.800 -9.155 -9.464 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.824 -9.875 -12.103 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.534 -11.170 -11.854 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -4.005 -12.203 -11.112 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -5.757 -11.590 -12.264 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -4.903 -13.198 -11.096 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.984 -12.875 -11.780 1.00 0.00 N ATOM 0 H HIS A 76 -2.676 -7.674 -11.814 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.453 -8.487 -11.851 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.790 -9.690 -13.177 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.793 -9.965 -11.762 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.445 -11.018 -12.869 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.760 -14.141 -10.589 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.815 -13.449 -11.924 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.570 -9.020 -9.176 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.620 -9.311 -7.743 1.00 0.00 C ATOM 1230 C ILE A 77 -4.366 -8.226 -6.968 1.00 0.00 C ATOM 1231 O ILE A 77 -5.211 -8.527 -6.124 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.200 -9.467 -7.154 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.516 -10.702 -7.749 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -2.251 -9.560 -5.634 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -0.094 -10.905 -7.267 1.00 0.00 C ATOM 0 H ILE A 77 -2.630 -8.860 -9.539 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.161 -10.251 -7.637 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.617 -8.584 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.103 -11.586 -7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.513 -10.616 -8.836 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.240 -9.669 -5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.701 -8.654 -5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.849 -10.424 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.324 -11.798 -7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.509 -10.039 -7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.091 -11.024 -6.184 1.00 0.00 H new ATOM 1247 N ALA A 78 -4.051 -6.969 -7.260 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.682 -5.842 -6.581 1.00 0.00 C ATOM 1249 C ALA A 78 -6.205 -5.917 -6.653 1.00 0.00 C ATOM 1250 O ALA A 78 -6.895 -5.450 -5.749 1.00 0.00 O ATOM 1251 CB ALA A 78 -4.185 -4.529 -7.165 1.00 0.00 C ATOM 0 H ALA A 78 -3.361 -6.704 -7.963 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.402 -5.891 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.664 -3.697 -6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.104 -4.461 -7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.430 -4.487 -8.226 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.727 -6.500 -7.730 1.00 0.00 N ATOM 1258 CA ASN A 79 -8.174 -6.628 -7.902 1.00 0.00 C ATOM 1259 C ASN A 79 -8.808 -7.362 -6.723 1.00 0.00 C ATOM 1260 O ASN A 79 -9.869 -6.974 -6.234 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.497 -7.367 -9.203 1.00 0.00 C ATOM 1262 CG ASN A 79 -8.091 -6.584 -10.436 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -8.143 -5.259 -10.343 1.00 0.00 O flip ATOM 1264 ND2 ASN A 79 -7.740 -7.163 -11.464 1.00 0.00 N flip ATOM 0 H ASN A 79 -6.174 -6.890 -8.493 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.591 -5.622 -7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.987 -8.330 -9.205 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.567 -7.572 -9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.714 -8.182 -11.492 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.475 -6.623 -12.288 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.163 -8.433 -6.282 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.661 -9.221 -5.159 1.00 0.00 C ATOM 1273 C ALA A 80 -8.475 -8.485 -3.834 1.00 0.00 C ATOM 1274 O ALA A 80 -9.277 -8.633 -2.912 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.966 -10.572 -5.115 1.00 0.00 C ATOM 0 H ALA A 80 -7.292 -8.778 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.730 -9.376 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.347 -11.150 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.160 -11.111 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.892 -10.425 -4.998 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.411 -7.691 -3.749 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.095 -6.948 -2.531 1.00 0.00 C ATOM 1283 C LEU A 81 -8.066 -5.794 -2.283 1.00 0.00 C ATOM 1284 O LEU A 81 -8.514 -5.589 -1.155 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.663 -6.414 -2.603 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.583 -7.476 -2.826 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -3.218 -6.823 -2.970 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.574 -8.483 -1.684 1.00 0.00 C ATOM 0 H LEU A 81 -6.750 -7.545 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.193 -7.641 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.604 -5.684 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.443 -5.883 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.812 -8.008 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.462 -7.592 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.228 -6.143 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.984 -6.265 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.799 -9.229 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.372 -7.967 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.545 -8.975 -1.625 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.385 -5.039 -3.332 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.291 -3.898 -3.204 1.00 0.00 C ATOM 1302 C GLU A 82 -10.631 -4.319 -2.607 1.00 0.00 C ATOM 1303 O GLU A 82 -11.333 -3.506 -2.004 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.511 -3.221 -4.560 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.216 -4.100 -5.579 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.533 -3.364 -6.866 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -11.605 -2.727 -6.938 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -9.709 -3.425 -7.802 1.00 0.00 O ATOM 0 H GLU A 82 -8.032 -5.195 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.823 -3.183 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.096 -2.313 -4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.546 -2.916 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.589 -4.963 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.141 -4.481 -5.146 1.00 0.00 H new ATOM 1315 N GLU A 83 -10.985 -5.590 -2.781 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.243 -6.115 -2.258 1.00 0.00 C ATOM 1317 C GLU A 83 -12.341 -5.901 -0.750 1.00 0.00 C ATOM 1318 O GLU A 83 -13.430 -5.692 -0.214 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.373 -7.606 -2.580 1.00 0.00 C ATOM 1320 CG GLU A 83 -12.246 -7.924 -4.060 1.00 0.00 C ATOM 1321 CD GLU A 83 -12.449 -9.396 -4.359 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -11.515 -10.188 -4.110 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.543 -9.759 -4.841 1.00 0.00 O ATOM 0 H GLU A 83 -10.418 -6.275 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.058 -5.573 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.607 -8.155 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.339 -7.963 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.978 -7.339 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.260 -7.618 -4.410 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.197 -5.960 -0.072 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.146 -5.774 1.373 1.00 0.00 C ATOM 1332 C LYS A 84 -11.759 -4.438 1.787 1.00 0.00 C ATOM 1333 O LYS A 84 -12.300 -4.311 2.885 1.00 0.00 O ATOM 1334 CB LYS A 84 -9.698 -5.854 1.862 1.00 0.00 C ATOM 1335 CG LYS A 84 -9.574 -5.983 3.369 1.00 0.00 C ATOM 1336 CD LYS A 84 -8.135 -6.234 3.789 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.073 -6.992 5.101 1.00 0.00 C ATOM 1338 NZ LYS A 84 -8.806 -8.284 5.021 1.00 0.00 N ATOM 0 H LYS A 84 -10.290 -6.136 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.731 -6.571 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.210 -6.708 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.163 -4.962 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.940 -5.073 3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.204 -6.801 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.620 -6.801 3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.611 -5.283 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.032 -7.179 5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.499 -6.380 5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.354 -8.979 5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.793 -8.142 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.784 -8.636 4.043 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.664 -3.446 0.905 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.208 -2.120 1.182 1.00 0.00 C ATOM 1354 C LYS A 85 -13.678 -2.206 1.584 1.00 0.00 C ATOM 1355 O LYS A 85 -14.139 -1.454 2.443 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.054 -1.214 -0.041 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.533 0.210 0.193 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.387 1.067 -1.056 1.00 0.00 C ATOM 1359 CE LYS A 85 -13.299 0.587 -2.176 1.00 0.00 C ATOM 1360 NZ LYS A 85 -14.728 0.572 -1.762 1.00 0.00 N ATOM 0 H LYS A 85 -11.216 -3.536 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.647 -1.693 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.005 -1.192 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.611 -1.644 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.578 0.196 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.964 0.656 1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.621 2.104 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.351 1.044 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.180 1.235 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.000 -0.415 -2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.333 0.489 -2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.899 -0.238 -1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.953 1.454 -1.260 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.407 -3.125 0.958 1.00 0.00 N ATOM 1375 CA LYS A 86 -15.823 -3.310 1.257 1.00 0.00 C ATOM 1376 C LYS A 86 -16.019 -3.670 2.726 1.00 0.00 C ATOM 1377 O LYS A 86 -16.982 -3.236 3.360 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.416 -4.406 0.368 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.459 -4.038 -1.107 1.00 0.00 C ATOM 1380 CD LYS A 86 -16.971 -5.189 -1.959 1.00 0.00 C ATOM 1381 CE LYS A 86 -18.414 -5.539 -1.625 1.00 0.00 C ATOM 1382 NZ LYS A 86 -19.333 -4.391 -1.861 1.00 0.00 N ATOM 0 H LYS A 86 -14.041 -3.752 0.242 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.340 -2.372 1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.830 -5.317 0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.427 -4.630 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.101 -3.168 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.461 -3.754 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.896 -4.923 -3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.340 -6.064 -1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.731 -6.388 -2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.480 -5.849 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.317 -4.727 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.203 -3.683 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.121 -3.961 -2.784 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.097 -4.465 3.261 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.159 -4.881 4.657 1.00 0.00 C ATOM 1398 C GLU A 87 -14.718 -3.748 5.578 1.00 0.00 C ATOM 1399 O GLU A 87 -15.159 -3.658 6.723 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.281 -6.114 4.884 1.00 0.00 C ATOM 1401 CG GLU A 87 -14.365 -6.667 6.298 1.00 0.00 C ATOM 1402 CD GLU A 87 -13.541 -7.927 6.480 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -12.351 -7.814 6.840 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -14.088 -9.030 6.263 1.00 0.00 O ATOM 0 H GLU A 87 -14.297 -4.834 2.747 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.193 -5.135 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.573 -6.893 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.245 -5.858 4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.023 -5.908 7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.406 -6.880 6.540 1.00 0.00 H new ATOM 1411 N ALA A 88 -13.842 -2.887 5.072 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.343 -1.756 5.847 1.00 0.00 C ATOM 1413 C ALA A 88 -14.483 -0.837 6.274 1.00 0.00 C ATOM 1414 O ALA A 88 -14.396 -0.163 7.299 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.309 -0.981 5.045 1.00 0.00 C ATOM 0 H ALA A 88 -13.462 -2.950 4.127 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.869 -2.146 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.946 -0.140 5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.475 -1.637 4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.764 -0.609 4.127 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.545 -0.813 5.476 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.707 0.026 5.760 1.00 0.00 C ATOM 1423 C GLU A 89 -17.222 -0.186 7.184 1.00 0.00 C ATOM 1424 O GLU A 89 -17.348 0.765 7.954 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.821 -0.265 4.754 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.417 -0.006 3.312 1.00 0.00 C ATOM 1427 CD GLU A 89 -17.040 1.441 3.065 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -17.942 2.242 2.741 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -15.843 1.774 3.195 1.00 0.00 O ATOM 0 H GLU A 89 -15.626 -1.367 4.623 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.396 1.067 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.129 -1.306 4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.688 0.349 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.574 -0.647 3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.240 -0.281 2.653 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.517 -1.437 7.526 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.026 -1.765 8.855 1.00 0.00 C ATOM 1438 C ARG A 90 -16.954 -1.575 9.928 1.00 0.00 C ATOM 1439 O ARG A 90 -17.270 -1.385 11.103 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.544 -3.205 8.887 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.495 -4.236 8.507 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.050 -5.650 8.574 1.00 0.00 C ATOM 1443 NE ARG A 90 -18.456 -6.018 9.927 1.00 0.00 N ATOM 1444 CZ ARG A 90 -18.774 -7.257 10.291 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -18.728 -8.246 9.407 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -19.135 -7.509 11.543 1.00 0.00 N ATOM 0 H ARG A 90 -17.413 -2.238 6.904 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.847 -1.082 9.071 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -18.914 -3.427 9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.391 -3.293 8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.134 -4.034 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.639 -4.148 9.176 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -18.905 -5.735 7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -17.296 -6.352 8.219 1.00 0.00 H new ATOM 0 HE ARG A 90 -18.498 -5.283 10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -18.448 -8.057 8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.973 -9.195 9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -19.169 -6.752 12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.379 -8.459 11.822 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.690 -1.626 9.520 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.578 -1.463 10.453 1.00 0.00 C ATOM 1462 C LYS A 91 -14.420 -0.006 10.876 1.00 0.00 C ATOM 1463 O LYS A 91 -14.198 0.289 12.051 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.277 -1.965 9.822 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.270 -3.461 9.551 1.00 0.00 C ATOM 1466 CD LYS A 91 -11.973 -3.908 8.895 1.00 0.00 C ATOM 1467 CE LYS A 91 -10.785 -3.746 9.831 1.00 0.00 C ATOM 1468 NZ LYS A 91 -10.971 -4.505 11.099 1.00 0.00 N ATOM 0 H LYS A 91 -15.409 -1.779 8.551 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.799 -2.055 11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.109 -1.434 8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.445 -1.720 10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.409 -4.001 10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.111 -3.718 8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.059 -4.952 8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.804 -3.327 7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.879 -4.090 9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.642 -2.689 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.045 -4.671 11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.573 -3.957 11.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.425 -5.418 10.894 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.535 0.899 9.912 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.399 2.327 10.179 1.00 0.00 C ATOM 1484 C LEU A 92 -15.745 2.948 10.532 1.00 0.00 C ATOM 1485 O LEU A 92 -15.847 4.158 10.734 1.00 0.00 O ATOM 1486 CB LEU A 92 -13.799 3.042 8.965 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.293 2.849 8.769 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -11.973 1.403 8.418 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.774 3.785 7.690 1.00 0.00 C ATOM 0 H LEU A 92 -14.723 0.670 8.936 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.730 2.446 11.031 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.313 2.694 8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.003 4.109 9.055 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.794 3.089 9.708 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.897 1.291 8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.308 0.750 9.224 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.484 1.131 7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.702 3.635 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.284 3.574 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.964 4.818 7.982 1.00 0.00 H new