USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 790 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 87 SER OG : rot 24:sc= 1.35 USER MOD Set 1.2: A 91 LYS NZ :NH3+ -150:sc= 0.573 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot -100:sc= 0.705 USER MOD Set 2.2: A 9 GLN : amide:sc= 0.795 K(o=1.9,f=1.4) USER MOD Set 2.3: A 10 SER OG : rot 180:sc= 0.384 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc=0.000473 USER MOD Single : A 15 THR OG1 : rot -84:sc= 1.29 USER MOD Single : A 16 SER OG : rot 88:sc= 1.21 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.99 (180deg=1.55) USER MOD Single : A 34 MET CE :methyl -165:sc= 0 (180deg=-0.432) USER MOD Single : A 44 GLN : amide:sc= -0.0986 X(o=-0.099,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.07) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 3.62 (180deg=3.49) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.16) USER MOD Single : A 60 ASN : amide:sc= 0.557 K(o=0.56,f=-5.2!) USER MOD Single : A 61 GLN : amide:sc= 1.12 K(o=1.1,f=-0.047) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -143:sc= 0.228 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 134:sc= 1.28 USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.22) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= 2.53 (180deg=2.4) USER MOD Single : A 97 GLN : amide:sc= -1.08! K(o=-1.1!,f=-0.0038) USER MOD Single : A 101 ASN : amide:sc= -0.13 K(o=-0.13,f=-4.1!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc=-0.00214 X(o=-0.0021,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 7.005 2.627 0.631 1.00 0.00 N ATOM 31 CA ILE A 3 7.805 2.999 1.779 1.00 0.00 C ATOM 32 C ILE A 3 7.128 4.252 2.350 1.00 0.00 C ATOM 33 O ILE A 3 6.653 5.119 1.609 1.00 0.00 O ATOM 34 CB ILE A 3 9.284 3.244 1.369 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.981 2.011 0.736 1.00 0.00 C ATOM 36 CG2 ILE A 3 10.124 3.653 2.596 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.664 1.727 -0.738 1.00 0.00 C ATOM 0 HA ILE A 3 7.851 2.211 2.531 1.00 0.00 H new ATOM 0 HB ILE A 3 9.235 4.034 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 3 11.059 2.141 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 3 9.711 1.130 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 3 11.157 3.820 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.719 4.570 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.090 2.858 3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.211 0.842 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.594 1.556 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 3 9.962 2.582 -1.345 1.00 0.00 H new ATOM 49 N VAL A 4 7.101 4.343 3.672 1.00 0.00 N ATOM 50 CA VAL A 4 6.444 5.367 4.469 1.00 0.00 C ATOM 51 C VAL A 4 7.473 5.809 5.516 1.00 0.00 C ATOM 52 O VAL A 4 8.477 5.124 5.743 1.00 0.00 O ATOM 53 CB VAL A 4 5.145 4.773 5.076 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.309 5.782 5.882 1.00 0.00 C ATOM 55 CG2 VAL A 4 4.226 4.170 3.994 1.00 0.00 C ATOM 0 H VAL A 4 7.572 3.653 4.257 1.00 0.00 H new ATOM 0 HA VAL A 4 6.132 6.239 3.894 1.00 0.00 H new ATOM 0 HB VAL A 4 5.506 4.000 5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.419 5.288 6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.903 6.167 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.012 6.607 5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.329 3.766 4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.945 4.946 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.754 3.372 3.472 1.00 0.00 H new ATOM 65 N LYS A 5 7.239 6.948 6.162 1.00 0.00 N ATOM 66 CA LYS A 5 8.085 7.475 7.229 1.00 0.00 C ATOM 67 C LYS A 5 7.213 7.629 8.467 1.00 0.00 C ATOM 68 O LYS A 5 6.024 7.937 8.336 1.00 0.00 O ATOM 69 CB LYS A 5 8.685 8.815 6.795 1.00 0.00 C ATOM 70 CG LYS A 5 9.855 9.247 7.704 1.00 0.00 C ATOM 71 CD LYS A 5 10.976 9.905 6.892 1.00 0.00 C ATOM 72 CE LYS A 5 11.693 8.841 6.040 1.00 0.00 C ATOM 73 NZ LYS A 5 12.485 9.448 4.938 1.00 0.00 N ATOM 0 H LYS A 5 6.438 7.544 5.954 1.00 0.00 H new ATOM 0 HA LYS A 5 8.915 6.803 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.035 8.739 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.910 9.582 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.493 9.944 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.248 8.379 8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.564 10.683 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.687 10.389 7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.352 8.251 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.956 8.155 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.951 8.696 4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.853 9.990 4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.206 10.083 5.337 1.00 0.00 H new ATOM 87 N ALA A 6 7.783 7.440 9.652 1.00 0.00 N ATOM 88 CA ALA A 6 7.065 7.566 10.914 1.00 0.00 C ATOM 89 C ALA A 6 7.994 8.087 12.006 1.00 0.00 C ATOM 90 O ALA A 6 9.218 8.100 11.850 1.00 0.00 O ATOM 91 CB ALA A 6 6.485 6.204 11.317 1.00 0.00 C ATOM 0 H ALA A 6 8.766 7.193 9.764 1.00 0.00 H new ATOM 0 HA ALA A 6 6.250 8.279 10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.949 6.302 12.261 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.799 5.858 10.544 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.295 5.484 11.433 1.00 0.00 H new ATOM 97 N THR A 7 7.393 8.468 13.128 1.00 0.00 N ATOM 98 CA THR A 7 8.061 8.789 14.379 1.00 0.00 C ATOM 99 C THR A 7 7.287 8.099 15.499 1.00 0.00 C ATOM 100 O THR A 7 6.244 7.497 15.248 1.00 0.00 O ATOM 101 CB THR A 7 8.110 10.312 14.598 1.00 0.00 C ATOM 102 OG1 THR A 7 6.828 10.898 14.467 1.00 0.00 O ATOM 103 CG2 THR A 7 9.055 11.021 13.631 1.00 0.00 C ATOM 0 H THR A 7 6.380 8.565 13.190 1.00 0.00 H new ATOM 0 HA THR A 7 9.093 8.439 14.362 1.00 0.00 H new ATOM 0 HB THR A 7 8.483 10.442 15.614 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.742 11.302 13.578 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.047 12.092 13.834 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.066 10.634 13.761 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.728 10.844 12.607 1.00 0.00 H new ATOM 111 N ASP A 8 7.721 8.248 16.749 1.00 0.00 N ATOM 112 CA ASP A 8 6.968 7.821 17.930 1.00 0.00 C ATOM 113 C ASP A 8 5.507 8.306 17.910 1.00 0.00 C ATOM 114 O ASP A 8 4.615 7.633 18.429 1.00 0.00 O ATOM 115 CB ASP A 8 7.662 8.346 19.190 1.00 0.00 C ATOM 116 CG ASP A 8 6.864 8.004 20.460 1.00 0.00 C ATOM 117 OD1 ASP A 8 6.830 6.822 20.868 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.288 8.928 21.077 1.00 0.00 O ATOM 0 H ASP A 8 8.619 8.675 16.975 1.00 0.00 H new ATOM 0 HA ASP A 8 6.947 6.731 17.926 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.662 7.917 19.261 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.783 9.427 19.116 1.00 0.00 H new ATOM 123 N GLN A 9 5.259 9.455 17.273 1.00 0.00 N ATOM 124 CA GLN A 9 3.947 10.071 17.130 1.00 0.00 C ATOM 125 C GLN A 9 2.975 9.233 16.282 1.00 0.00 C ATOM 126 O GLN A 9 1.762 9.334 16.473 1.00 0.00 O ATOM 127 CB GLN A 9 4.098 11.453 16.467 1.00 0.00 C ATOM 128 CG GLN A 9 5.091 12.397 17.168 1.00 0.00 C ATOM 129 CD GLN A 9 5.302 13.678 16.360 1.00 0.00 C ATOM 130 OE1 GLN A 9 4.824 14.752 16.717 1.00 0.00 O ATOM 131 NE2 GLN A 9 6.021 13.592 15.251 1.00 0.00 N ATOM 0 H GLN A 9 5.999 9.998 16.828 1.00 0.00 H new ATOM 0 HA GLN A 9 3.530 10.151 18.134 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.418 11.313 15.435 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.121 11.934 16.435 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.719 12.648 18.161 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.046 11.889 17.304 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.412 12.694 14.965 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.183 14.423 14.683 1.00 0.00 H new ATOM 140 N SER A 10 3.486 8.417 15.356 1.00 0.00 N ATOM 141 CA SER A 10 2.706 7.771 14.306 1.00 0.00 C ATOM 142 C SER A 10 3.013 6.283 14.105 1.00 0.00 C ATOM 143 O SER A 10 2.206 5.575 13.500 1.00 0.00 O ATOM 144 CB SER A 10 2.986 8.564 13.025 1.00 0.00 C ATOM 145 OG SER A 10 4.380 8.768 12.811 1.00 0.00 O ATOM 0 H SER A 10 4.478 8.184 15.318 1.00 0.00 H new ATOM 0 HA SER A 10 1.654 7.783 14.590 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.563 8.034 12.172 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.484 9.530 13.081 1.00 0.00 H new ATOM 0 HG SER A 10 4.513 9.276 11.984 1.00 0.00 H new ATOM 151 N PHE A 11 4.144 5.790 14.614 1.00 0.00 N ATOM 152 CA PHE A 11 4.665 4.458 14.329 1.00 0.00 C ATOM 153 C PHE A 11 3.642 3.370 14.639 1.00 0.00 C ATOM 154 O PHE A 11 3.425 2.478 13.818 1.00 0.00 O ATOM 155 CB PHE A 11 5.960 4.251 15.127 1.00 0.00 C ATOM 156 CG PHE A 11 6.680 2.960 14.812 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.516 2.893 13.683 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.529 1.834 15.642 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.208 1.710 13.389 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.219 0.647 15.342 1.00 0.00 C ATOM 161 CZ PHE A 11 8.060 0.585 14.218 1.00 0.00 C ATOM 0 H PHE A 11 4.736 6.322 15.252 1.00 0.00 H new ATOM 0 HA PHE A 11 4.879 4.382 13.263 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.632 5.086 14.931 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.726 4.273 16.191 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.625 3.755 13.041 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.885 1.882 16.507 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.855 1.663 12.525 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.103 -0.219 15.977 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.592 -0.327 13.991 1.00 0.00 H new ATOM 171 N SER A 12 2.972 3.453 15.790 1.00 0.00 N ATOM 172 CA SER A 12 2.004 2.452 16.211 1.00 0.00 C ATOM 173 C SER A 12 0.813 2.381 15.252 1.00 0.00 C ATOM 174 O SER A 12 0.341 1.290 14.932 1.00 0.00 O ATOM 175 CB SER A 12 1.550 2.756 17.643 1.00 0.00 C ATOM 176 OG SER A 12 2.669 3.030 18.477 1.00 0.00 O ATOM 0 H SER A 12 3.089 4.219 16.453 1.00 0.00 H new ATOM 0 HA SER A 12 2.481 1.472 16.190 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.873 3.610 17.642 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.992 1.908 18.041 1.00 0.00 H new ATOM 0 HG SER A 12 2.360 3.223 19.387 1.00 0.00 H new ATOM 182 N ALA A 13 0.349 3.529 14.753 1.00 0.00 N ATOM 183 CA ALA A 13 -0.739 3.577 13.793 1.00 0.00 C ATOM 184 C ALA A 13 -0.287 2.989 12.459 1.00 0.00 C ATOM 185 O ALA A 13 -1.000 2.181 11.865 1.00 0.00 O ATOM 186 CB ALA A 13 -1.241 5.015 13.624 1.00 0.00 C ATOM 0 H ALA A 13 0.720 4.445 15.006 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.568 2.976 14.166 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.056 5.033 12.901 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.598 5.391 14.583 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.426 5.645 13.268 1.00 0.00 H new ATOM 192 N GLU A 14 0.914 3.361 12.007 1.00 0.00 N ATOM 193 CA GLU A 14 1.443 2.896 10.733 1.00 0.00 C ATOM 194 C GLU A 14 1.640 1.379 10.739 1.00 0.00 C ATOM 195 O GLU A 14 1.405 0.736 9.715 1.00 0.00 O ATOM 196 CB GLU A 14 2.758 3.612 10.365 1.00 0.00 C ATOM 197 CG GLU A 14 2.583 5.079 9.933 1.00 0.00 C ATOM 198 CD GLU A 14 1.604 5.281 8.759 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.415 4.349 7.944 1.00 0.00 O ATOM 200 OE2 GLU A 14 1.016 6.381 8.649 1.00 0.00 O ATOM 0 H GLU A 14 1.539 3.988 12.514 1.00 0.00 H new ATOM 0 HA GLU A 14 0.706 3.144 9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.430 3.576 11.223 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.243 3.063 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.232 5.658 10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.556 5.482 9.653 1.00 0.00 H new ATOM 207 N THR A 15 2.014 0.798 11.879 1.00 0.00 N ATOM 208 CA THR A 15 2.306 -0.619 12.016 1.00 0.00 C ATOM 209 C THR A 15 1.063 -1.468 12.314 1.00 0.00 C ATOM 210 O THR A 15 1.181 -2.687 12.460 1.00 0.00 O ATOM 211 CB THR A 15 3.446 -0.806 13.031 1.00 0.00 C ATOM 212 OG1 THR A 15 3.192 -0.152 14.254 1.00 0.00 O ATOM 213 CG2 THR A 15 4.773 -0.273 12.470 1.00 0.00 C ATOM 0 H THR A 15 2.123 1.317 12.750 1.00 0.00 H new ATOM 0 HA THR A 15 2.648 -0.999 11.053 1.00 0.00 H new ATOM 0 HB THR A 15 3.512 -1.879 13.213 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.454 0.790 14.182 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.563 -0.417 13.207 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.025 -0.813 11.557 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.673 0.789 12.247 1.00 0.00 H new ATOM 221 N SER A 16 -0.132 -0.865 12.346 1.00 0.00 N ATOM 222 CA SER A 16 -1.382 -1.538 12.677 1.00 0.00 C ATOM 223 C SER A 16 -2.242 -1.777 11.428 1.00 0.00 C ATOM 224 O SER A 16 -3.471 -1.757 11.498 1.00 0.00 O ATOM 225 CB SER A 16 -2.116 -0.763 13.781 1.00 0.00 C ATOM 226 OG SER A 16 -1.350 -0.739 14.971 1.00 0.00 O ATOM 0 H SER A 16 -0.253 0.126 12.137 1.00 0.00 H new ATOM 0 HA SER A 16 -1.161 -2.530 13.071 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.311 0.256 13.448 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.084 -1.226 13.975 1.00 0.00 H new ATOM 0 HG SER A 16 -0.737 0.026 14.950 1.00 0.00 H new ATOM 232 N GLU A 17 -1.601 -1.999 10.274 1.00 0.00 N ATOM 233 CA GLU A 17 -2.268 -2.178 8.984 1.00 0.00 C ATOM 234 C GLU A 17 -1.710 -3.405 8.247 1.00 0.00 C ATOM 235 O GLU A 17 -1.262 -3.317 7.102 1.00 0.00 O ATOM 236 CB GLU A 17 -2.227 -0.876 8.157 1.00 0.00 C ATOM 237 CG GLU A 17 -3.017 0.264 8.819 1.00 0.00 C ATOM 238 CD GLU A 17 -3.261 1.432 7.851 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.278 2.051 7.388 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.436 1.746 7.551 1.00 0.00 O ATOM 0 H GLU A 17 -0.585 -2.060 10.212 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.325 -2.387 9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.191 -0.566 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.633 -1.067 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.974 -0.117 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.472 0.624 9.692 1.00 0.00 H new ATOM 247 N GLY A 18 -1.717 -4.561 8.922 1.00 0.00 N ATOM 248 CA GLY A 18 -1.267 -5.834 8.367 1.00 0.00 C ATOM 249 C GLY A 18 0.166 -6.096 8.803 1.00 0.00 C ATOM 250 O GLY A 18 0.595 -5.575 9.837 1.00 0.00 O ATOM 0 H GLY A 18 -2.042 -4.634 9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.916 -6.641 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.330 -5.812 7.279 1.00 0.00 H new ATOM 254 N VAL A 19 0.896 -6.928 8.055 1.00 0.00 N ATOM 255 CA VAL A 19 2.341 -7.035 8.241 1.00 0.00 C ATOM 256 C VAL A 19 2.944 -5.725 7.733 1.00 0.00 C ATOM 257 O VAL A 19 2.573 -5.218 6.670 1.00 0.00 O ATOM 258 CB VAL A 19 2.950 -8.267 7.536 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.490 -8.305 7.646 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.405 -9.558 8.169 1.00 0.00 C ATOM 0 H VAL A 19 0.514 -7.529 7.325 1.00 0.00 H new ATOM 0 HA VAL A 19 2.572 -7.187 9.295 1.00 0.00 H new ATOM 0 HB VAL A 19 2.672 -8.192 6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.870 -9.190 7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.910 -7.411 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.779 -8.341 8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.840 -10.422 7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.668 -9.584 9.226 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.320 -9.585 8.064 1.00 0.00 H new ATOM 270 N VAL A 20 3.900 -5.197 8.485 1.00 0.00 N ATOM 271 CA VAL A 20 4.612 -3.967 8.207 1.00 0.00 C ATOM 272 C VAL A 20 6.072 -4.257 8.542 1.00 0.00 C ATOM 273 O VAL A 20 6.360 -5.006 9.475 1.00 0.00 O ATOM 274 CB VAL A 20 4.004 -2.829 9.055 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.697 -1.487 8.776 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.496 -2.661 8.769 1.00 0.00 C ATOM 0 H VAL A 20 4.212 -5.641 9.348 1.00 0.00 H new ATOM 0 HA VAL A 20 4.535 -3.641 7.170 1.00 0.00 H new ATOM 0 HB VAL A 20 4.154 -3.108 10.098 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.244 -0.709 9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.757 -1.568 9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.583 -1.231 7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.097 -1.852 9.381 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.350 -2.424 7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.975 -3.588 9.008 1.00 0.00 H new ATOM 286 N LEU A 21 7.003 -3.679 7.791 1.00 0.00 N ATOM 287 CA LEU A 21 8.428 -3.911 7.962 1.00 0.00 C ATOM 288 C LEU A 21 9.064 -2.551 8.203 1.00 0.00 C ATOM 289 O LEU A 21 9.243 -1.755 7.281 1.00 0.00 O ATOM 290 CB LEU A 21 8.969 -4.657 6.738 1.00 0.00 C ATOM 291 CG LEU A 21 10.497 -4.849 6.794 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.925 -5.841 7.868 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.015 -5.298 5.427 1.00 0.00 C ATOM 0 H LEU A 21 6.784 -3.028 7.037 1.00 0.00 H new ATOM 0 HA LEU A 21 8.663 -4.549 8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.486 -5.631 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.708 -4.105 5.835 1.00 0.00 H new ATOM 0 HG LEU A 21 10.934 -3.886 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.011 -5.937 7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.597 -5.484 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.474 -6.812 7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.096 -5.432 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.544 -6.242 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.775 -4.541 4.680 1.00 0.00 H new ATOM 305 N ALA A 22 9.323 -2.244 9.467 1.00 0.00 N ATOM 306 CA ALA A 22 9.967 -1.012 9.849 1.00 0.00 C ATOM 307 C ALA A 22 11.468 -1.129 9.601 1.00 0.00 C ATOM 308 O ALA A 22 12.042 -2.209 9.756 1.00 0.00 O ATOM 309 CB ALA A 22 9.693 -0.728 11.320 1.00 0.00 C ATOM 0 H ALA A 22 9.088 -2.850 10.253 1.00 0.00 H new ATOM 0 HA ALA A 22 9.572 -0.189 9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.180 0.204 11.608 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.618 -0.640 11.479 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.084 -1.544 11.927 1.00 0.00 H new ATOM 315 N ASP A 23 12.095 0.005 9.301 1.00 0.00 N ATOM 316 CA ASP A 23 13.512 0.166 9.008 1.00 0.00 C ATOM 317 C ASP A 23 14.022 1.298 9.899 1.00 0.00 C ATOM 318 O ASP A 23 13.841 2.485 9.612 1.00 0.00 O ATOM 319 CB ASP A 23 13.731 0.478 7.521 1.00 0.00 C ATOM 320 CG ASP A 23 15.164 0.969 7.249 1.00 0.00 C ATOM 321 OD1 ASP A 23 16.126 0.349 7.751 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.316 1.959 6.497 1.00 0.00 O ATOM 0 H ASP A 23 11.593 0.891 9.254 1.00 0.00 H new ATOM 0 HA ASP A 23 14.060 -0.754 9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.534 -0.415 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.019 1.238 7.199 1.00 0.00 H new ATOM 327 N PHE A 24 14.563 0.916 11.051 1.00 0.00 N ATOM 328 CA PHE A 24 15.214 1.811 11.988 1.00 0.00 C ATOM 329 C PHE A 24 16.550 2.180 11.353 1.00 0.00 C ATOM 330 O PHE A 24 17.406 1.311 11.134 1.00 0.00 O ATOM 331 CB PHE A 24 15.354 1.135 13.364 1.00 0.00 C ATOM 332 CG PHE A 24 14.033 1.030 14.114 1.00 0.00 C ATOM 333 CD1 PHE A 24 13.010 0.181 13.647 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.794 1.837 15.244 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.746 0.192 14.261 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.527 1.851 15.854 1.00 0.00 C ATOM 337 CZ PHE A 24 11.494 1.048 15.343 1.00 0.00 C ATOM 0 H PHE A 24 14.558 -0.055 11.363 1.00 0.00 H new ATOM 0 HA PHE A 24 14.637 2.717 12.176 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.770 0.136 13.231 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.065 1.699 13.969 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.198 -0.481 12.814 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.589 2.449 15.644 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.966 -0.461 13.898 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.348 2.479 16.715 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.508 1.090 15.782 1.00 0.00 H new ATOM 347 N TRP A 25 16.687 3.463 11.018 1.00 0.00 N ATOM 348 CA TRP A 25 17.781 4.020 10.242 1.00 0.00 C ATOM 349 C TRP A 25 18.042 5.447 10.734 1.00 0.00 C ATOM 350 O TRP A 25 17.406 5.898 11.684 1.00 0.00 O ATOM 351 CB TRP A 25 17.450 3.918 8.731 1.00 0.00 C ATOM 352 CG TRP A 25 17.346 5.184 7.924 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.294 5.669 7.089 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.308 6.212 7.963 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.875 6.870 6.555 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.703 7.296 7.127 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.102 6.362 8.671 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.964 8.482 7.029 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.341 7.545 8.576 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.785 8.615 7.778 1.00 0.00 C ATOM 0 H TRP A 25 16.005 4.169 11.295 1.00 0.00 H new ATOM 0 HA TRP A 25 18.706 3.460 10.380 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.213 3.293 8.267 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.503 3.387 8.636 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.237 5.188 6.873 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.375 7.378 5.825 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.752 5.556 9.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.297 9.283 6.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.411 7.630 9.119 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.221 9.535 7.742 1.00 0.00 H new ATOM 371 N ALA A 26 18.986 6.154 10.117 1.00 0.00 N ATOM 372 CA ALA A 26 19.200 7.583 10.278 1.00 0.00 C ATOM 373 C ALA A 26 19.905 8.060 9.008 1.00 0.00 C ATOM 374 O ALA A 26 20.683 7.289 8.438 1.00 0.00 O ATOM 375 CB ALA A 26 20.074 7.857 11.503 1.00 0.00 C ATOM 0 H ALA A 26 19.646 5.727 9.467 1.00 0.00 H new ATOM 0 HA ALA A 26 18.256 8.107 10.428 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.225 8.931 11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.582 7.469 12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.039 7.366 11.379 1.00 0.00 H new ATOM 381 N PRO A 27 19.704 9.301 8.543 1.00 0.00 N ATOM 382 CA PRO A 27 20.281 9.748 7.281 1.00 0.00 C ATOM 383 C PRO A 27 21.812 9.869 7.289 1.00 0.00 C ATOM 384 O PRO A 27 22.401 9.937 6.209 1.00 0.00 O ATOM 385 CB PRO A 27 19.569 11.058 6.933 1.00 0.00 C ATOM 386 CG PRO A 27 19.021 11.561 8.269 1.00 0.00 C ATOM 387 CD PRO A 27 18.784 10.290 9.081 1.00 0.00 C ATOM 0 HA PRO A 27 20.118 8.995 6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.257 11.778 6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.768 10.895 6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.730 12.224 8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.098 12.125 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.971 10.462 10.141 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.751 9.954 8.990 1.00 0.00 H new ATOM 395 N TRP A 28 22.485 9.835 8.448 1.00 0.00 N ATOM 396 CA TRP A 28 23.947 9.741 8.486 1.00 0.00 C ATOM 397 C TRP A 28 24.454 8.355 8.051 1.00 0.00 C ATOM 398 O TRP A 28 25.628 8.217 7.701 1.00 0.00 O ATOM 399 CB TRP A 28 24.478 10.092 9.885 1.00 0.00 C ATOM 400 CG TRP A 28 24.145 9.140 10.999 1.00 0.00 C ATOM 401 CD1 TRP A 28 23.134 9.296 11.882 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.814 7.897 11.389 1.00 0.00 C ATOM 403 NE1 TRP A 28 23.133 8.256 12.788 1.00 0.00 N ATOM 404 CE2 TRP A 28 24.128 7.344 12.515 1.00 0.00 C ATOM 405 CE3 TRP A 28 25.928 7.173 10.910 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.509 6.132 13.110 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.317 5.952 11.495 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.608 5.428 12.590 1.00 0.00 C ATOM 0 H TRP A 28 22.041 9.871 9.366 1.00 0.00 H new ATOM 0 HA TRP A 28 24.332 10.466 7.769 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.563 10.176 9.824 1.00 0.00 H new ATOM 0 HB3 TRP A 28 24.096 11.077 10.155 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.430 10.115 11.879 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.476 8.173 13.564 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.494 7.564 10.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.964 5.745 13.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.166 5.415 11.099 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.907 4.488 13.030 1.00 0.00 H new ATOM 419 N CYS A 29 23.593 7.332 8.104 1.00 0.00 N ATOM 420 CA CYS A 29 23.940 5.934 7.889 1.00 0.00 C ATOM 421 C CYS A 29 24.504 5.704 6.480 1.00 0.00 C ATOM 422 O CYS A 29 24.132 6.408 5.535 1.00 0.00 O ATOM 423 CB CYS A 29 22.675 5.099 8.102 1.00 0.00 C ATOM 424 SG CYS A 29 22.893 3.306 8.141 1.00 0.00 S ATOM 0 H CYS A 29 22.602 7.466 8.305 1.00 0.00 H new ATOM 0 HA CYS A 29 24.718 5.639 8.593 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.216 5.408 9.041 1.00 0.00 H new ATOM 0 HB3 CYS A 29 21.969 5.340 7.308 1.00 0.00 H new ATOM 429 N GLY A 30 25.333 4.666 6.328 1.00 0.00 N ATOM 430 CA GLY A 30 25.871 4.228 5.043 1.00 0.00 C ATOM 431 C GLY A 30 25.145 2.977 4.545 1.00 0.00 C ATOM 432 O GLY A 30 24.414 3.078 3.562 1.00 0.00 O ATOM 0 H GLY A 30 25.653 4.098 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 30 25.769 5.028 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 30 26.936 4.020 5.142 1.00 0.00 H new ATOM 436 N PRO A 31 25.248 1.813 5.219 1.00 0.00 N ATOM 437 CA PRO A 31 24.571 0.584 4.796 1.00 0.00 C ATOM 438 C PRO A 31 23.052 0.728 4.637 1.00 0.00 C ATOM 439 O PRO A 31 22.459 0.086 3.771 1.00 0.00 O ATOM 440 CB PRO A 31 24.932 -0.472 5.844 1.00 0.00 C ATOM 441 CG PRO A 31 26.270 0.016 6.394 1.00 0.00 C ATOM 442 CD PRO A 31 26.134 1.537 6.343 1.00 0.00 C ATOM 0 HA PRO A 31 24.907 0.305 3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.176 -0.536 6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.018 -1.464 5.401 1.00 0.00 H new ATOM 0 HG2 PRO A 31 26.441 -0.339 7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.106 -0.334 5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.720 1.925 7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.105 2.013 6.203 1.00 0.00 H new ATOM 450 N CYS A 32 22.410 1.613 5.409 1.00 0.00 N ATOM 451 CA CYS A 32 20.983 1.895 5.261 1.00 0.00 C ATOM 452 C CYS A 32 20.637 2.388 3.844 1.00 0.00 C ATOM 453 O CYS A 32 19.534 2.153 3.355 1.00 0.00 O ATOM 454 CB CYS A 32 20.528 2.942 6.278 1.00 0.00 C ATOM 455 SG CYS A 32 20.972 2.666 8.019 1.00 0.00 S ATOM 0 H CYS A 32 22.864 2.149 6.148 1.00 0.00 H new ATOM 0 HA CYS A 32 20.459 0.956 5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 32 20.937 3.906 5.975 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.443 3.022 6.216 1.00 0.00 H new ATOM 460 N LYS A 33 21.572 3.072 3.174 1.00 0.00 N ATOM 461 CA LYS A 33 21.387 3.557 1.814 1.00 0.00 C ATOM 462 C LYS A 33 21.437 2.390 0.832 1.00 0.00 C ATOM 463 O LYS A 33 20.658 2.376 -0.116 1.00 0.00 O ATOM 464 CB LYS A 33 22.457 4.610 1.457 1.00 0.00 C ATOM 465 CG LYS A 33 22.638 5.736 2.495 1.00 0.00 C ATOM 466 CD LYS A 33 21.428 6.678 2.622 1.00 0.00 C ATOM 467 CE LYS A 33 21.513 7.603 3.850 1.00 0.00 C ATOM 468 NZ LYS A 33 22.800 8.335 3.949 1.00 0.00 N ATOM 0 H LYS A 33 22.483 3.303 3.570 1.00 0.00 H new ATOM 0 HA LYS A 33 20.409 4.033 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.413 4.103 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.197 5.059 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.839 5.289 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.516 6.324 2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.351 7.286 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.516 6.084 2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.696 8.323 3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.371 7.010 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.700 9.124 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.542 7.688 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.061 8.706 3.013 1.00 0.00 H new ATOM 482 N MET A 34 22.312 1.400 1.050 1.00 0.00 N ATOM 483 CA MET A 34 22.476 0.289 0.116 1.00 0.00 C ATOM 484 C MET A 34 21.287 -0.673 0.169 1.00 0.00 C ATOM 485 O MET A 34 20.930 -1.255 -0.853 1.00 0.00 O ATOM 486 CB MET A 34 23.838 -0.404 0.312 1.00 0.00 C ATOM 487 CG MET A 34 23.874 -1.611 1.259 1.00 0.00 C ATOM 488 SD MET A 34 25.553 -2.129 1.704 1.00 0.00 S ATOM 489 CE MET A 34 25.155 -3.474 2.850 1.00 0.00 C ATOM 0 H MET A 34 22.917 1.350 1.869 1.00 0.00 H new ATOM 0 HA MET A 34 22.483 0.691 -0.897 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.197 -0.729 -0.665 1.00 0.00 H new ATOM 0 HB3 MET A 34 24.546 0.338 0.681 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.325 -1.366 2.168 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.357 -2.447 0.789 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.043 -3.737 3.425 1.00 0.00 H new ATOM 0 HE2 MET A 34 24.365 -3.152 3.529 1.00 0.00 H new ATOM 0 HE3 MET A 34 24.817 -4.344 2.287 1.00 0.00 H new ATOM 499 N ILE A 35 20.650 -0.824 1.336 1.00 0.00 N ATOM 500 CA ILE A 35 19.433 -1.626 1.479 1.00 0.00 C ATOM 501 C ILE A 35 18.186 -0.876 0.974 1.00 0.00 C ATOM 502 O ILE A 35 17.190 -1.522 0.664 1.00 0.00 O ATOM 503 CB ILE A 35 19.305 -2.184 2.920 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.242 -3.301 3.035 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.043 -1.074 3.944 1.00 0.00 C ATOM 506 CD1 ILE A 35 18.399 -4.166 4.292 1.00 0.00 C ATOM 0 H ILE A 35 20.964 -0.394 2.206 1.00 0.00 H new ATOM 0 HA ILE A 35 19.512 -2.497 0.829 1.00 0.00 H new ATOM 0 HB ILE A 35 20.270 -2.634 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.250 -2.849 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.301 -3.940 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 35 18.960 -1.510 4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 35 19.868 -0.361 3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.115 -0.560 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.621 -4.929 4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 35 19.378 -4.646 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 35 18.311 -3.539 5.179 1.00 0.00 H new ATOM 518 N ALA A 36 18.208 0.457 0.839 1.00 0.00 N ATOM 519 CA ALA A 36 17.052 1.221 0.365 1.00 0.00 C ATOM 520 C ALA A 36 16.507 0.739 -0.998 1.00 0.00 C ATOM 521 O ALA A 36 15.306 0.475 -1.075 1.00 0.00 O ATOM 522 CB ALA A 36 17.353 2.725 0.366 1.00 0.00 C ATOM 0 H ALA A 36 19.023 1.031 1.054 1.00 0.00 H new ATOM 0 HA ALA A 36 16.246 1.034 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.479 3.271 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.594 3.047 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.199 2.927 -0.290 1.00 0.00 H new ATOM 528 N PRO A 37 17.316 0.541 -2.062 1.00 0.00 N ATOM 529 CA PRO A 37 16.795 -0.003 -3.314 1.00 0.00 C ATOM 530 C PRO A 37 16.326 -1.454 -3.168 1.00 0.00 C ATOM 531 O PRO A 37 15.427 -1.880 -3.891 1.00 0.00 O ATOM 532 CB PRO A 37 17.919 0.145 -4.346 1.00 0.00 C ATOM 533 CG PRO A 37 19.184 0.195 -3.495 1.00 0.00 C ATOM 534 CD PRO A 37 18.714 0.906 -2.227 1.00 0.00 C ATOM 0 HA PRO A 37 15.905 0.540 -3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 37 17.937 -0.694 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.800 1.051 -4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.566 -0.803 -3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.984 0.743 -3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.303 0.596 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 37 18.828 1.986 -2.320 1.00 0.00 H new ATOM 542 N VAL A 38 16.883 -2.213 -2.222 1.00 0.00 N ATOM 543 CA VAL A 38 16.422 -3.561 -1.920 1.00 0.00 C ATOM 544 C VAL A 38 15.013 -3.486 -1.314 1.00 0.00 C ATOM 545 O VAL A 38 14.157 -4.290 -1.676 1.00 0.00 O ATOM 546 CB VAL A 38 17.432 -4.301 -1.013 1.00 0.00 C ATOM 547 CG1 VAL A 38 17.104 -5.794 -0.932 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.877 -4.176 -1.530 1.00 0.00 C ATOM 0 H VAL A 38 17.667 -1.906 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 38 16.360 -4.148 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 38 17.352 -3.832 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.829 -6.291 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.103 -5.925 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.146 -6.230 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.550 -4.711 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.944 -4.604 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.161 -3.124 -1.565 1.00 0.00 H new ATOM 558 N LEU A 39 14.730 -2.505 -0.448 1.00 0.00 N ATOM 559 CA LEU A 39 13.389 -2.265 0.074 1.00 0.00 C ATOM 560 C LEU A 39 12.437 -1.788 -1.021 1.00 0.00 C ATOM 561 O LEU A 39 11.266 -2.154 -0.996 1.00 0.00 O ATOM 562 CB LEU A 39 13.421 -1.262 1.240 1.00 0.00 C ATOM 563 CG LEU A 39 14.123 -1.808 2.497 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.304 -0.688 3.526 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.358 -2.979 3.136 1.00 0.00 C ATOM 0 H LEU A 39 15.431 -1.856 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 39 13.012 -3.216 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.929 -0.354 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.399 -0.981 1.496 1.00 0.00 H new ATOM 0 HG LEU A 39 15.096 -2.186 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.801 -1.084 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.911 0.108 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.329 -0.290 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.896 -3.327 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.361 -2.647 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.274 -3.794 2.417 1.00 0.00 H new ATOM 577 N GLU A 40 12.904 -1.013 -2.001 1.00 0.00 N ATOM 578 CA GLU A 40 12.079 -0.667 -3.157 1.00 0.00 C ATOM 579 C GLU A 40 11.742 -1.915 -3.980 1.00 0.00 C ATOM 580 O GLU A 40 10.602 -2.091 -4.414 1.00 0.00 O ATOM 581 CB GLU A 40 12.741 0.415 -4.023 1.00 0.00 C ATOM 582 CG GLU A 40 12.766 1.782 -3.325 1.00 0.00 C ATOM 583 CD GLU A 40 13.356 2.872 -4.237 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.598 3.487 -5.024 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.574 3.146 -4.167 1.00 0.00 O ATOM 0 H GLU A 40 13.843 -0.616 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 40 11.144 -0.249 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.760 0.113 -4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.204 0.501 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.754 2.060 -3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.355 1.714 -2.410 1.00 0.00 H new ATOM 592 N GLU A 41 12.703 -2.813 -4.197 1.00 0.00 N ATOM 593 CA GLU A 41 12.437 -4.086 -4.857 1.00 0.00 C ATOM 594 C GLU A 41 11.459 -4.924 -4.029 1.00 0.00 C ATOM 595 O GLU A 41 10.574 -5.568 -4.588 1.00 0.00 O ATOM 596 CB GLU A 41 13.735 -4.863 -5.115 1.00 0.00 C ATOM 597 CG GLU A 41 14.536 -4.311 -6.301 1.00 0.00 C ATOM 598 CD GLU A 41 15.829 -5.115 -6.540 1.00 0.00 C ATOM 599 OE1 GLU A 41 15.777 -6.366 -6.555 1.00 0.00 O ATOM 600 OE2 GLU A 41 16.901 -4.502 -6.749 1.00 0.00 O ATOM 0 H GLU A 41 13.676 -2.679 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 41 11.981 -3.874 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.355 -4.833 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.495 -5.910 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.920 -4.337 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.786 -3.266 -6.116 1.00 0.00 H new ATOM 607 N LEU A 42 11.580 -4.882 -2.700 1.00 0.00 N ATOM 608 CA LEU A 42 10.682 -5.585 -1.798 1.00 0.00 C ATOM 609 C LEU A 42 9.262 -5.031 -1.924 1.00 0.00 C ATOM 610 O LEU A 42 8.319 -5.816 -1.999 1.00 0.00 O ATOM 611 CB LEU A 42 11.198 -5.506 -0.351 1.00 0.00 C ATOM 612 CG LEU A 42 10.365 -6.352 0.626 1.00 0.00 C ATOM 613 CD1 LEU A 42 10.440 -7.849 0.305 1.00 0.00 C ATOM 614 CD2 LEU A 42 10.876 -6.124 2.049 1.00 0.00 C ATOM 0 H LEU A 42 12.311 -4.354 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 42 10.653 -6.638 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.235 -5.841 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.189 -4.467 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 42 9.325 -6.040 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.836 -8.406 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.062 -8.025 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.476 -8.183 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.289 -6.721 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.924 -6.419 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.780 -5.069 2.305 1.00 0.00 H new ATOM 626 N ASP A 43 9.088 -3.709 -2.009 1.00 0.00 N ATOM 627 CA ASP A 43 7.785 -3.096 -2.272 1.00 0.00 C ATOM 628 C ASP A 43 7.201 -3.604 -3.583 1.00 0.00 C ATOM 629 O ASP A 43 6.030 -3.972 -3.655 1.00 0.00 O ATOM 630 CB ASP A 43 7.875 -1.570 -2.364 1.00 0.00 C ATOM 631 CG ASP A 43 6.491 -0.982 -2.682 1.00 0.00 C ATOM 632 OD1 ASP A 43 5.529 -1.264 -1.934 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.372 -0.220 -3.667 1.00 0.00 O ATOM 0 H ASP A 43 9.846 -3.035 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 43 7.146 -3.372 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.246 -1.162 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.587 -1.285 -3.138 1.00 0.00 H new ATOM 638 N GLN A 44 8.032 -3.669 -4.619 1.00 0.00 N ATOM 639 CA GLN A 44 7.607 -4.092 -5.946 1.00 0.00 C ATOM 640 C GLN A 44 7.246 -5.591 -6.002 1.00 0.00 C ATOM 641 O GLN A 44 6.687 -6.044 -7.003 1.00 0.00 O ATOM 642 CB GLN A 44 8.671 -3.675 -6.969 1.00 0.00 C ATOM 643 CG GLN A 44 8.718 -2.141 -7.096 1.00 0.00 C ATOM 644 CD GLN A 44 9.941 -1.689 -7.890 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.901 -1.527 -9.108 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.058 -1.489 -7.212 1.00 0.00 N ATOM 0 H GLN A 44 9.022 -3.429 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 44 6.677 -3.586 -6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.647 -4.051 -6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.447 -4.120 -7.938 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.812 -1.786 -7.587 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.740 -1.692 -6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.073 -1.628 -6.202 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.905 -1.196 -7.699 1.00 0.00 H new ATOM 655 N GLU A 45 7.522 -6.355 -4.940 1.00 0.00 N ATOM 656 CA GLU A 45 7.267 -7.786 -4.830 1.00 0.00 C ATOM 657 C GLU A 45 6.178 -8.096 -3.801 1.00 0.00 C ATOM 658 O GLU A 45 5.429 -9.055 -3.995 1.00 0.00 O ATOM 659 CB GLU A 45 8.595 -8.491 -4.507 1.00 0.00 C ATOM 660 CG GLU A 45 9.463 -8.517 -5.781 1.00 0.00 C ATOM 661 CD GLU A 45 10.867 -9.121 -5.605 1.00 0.00 C ATOM 662 OE1 GLU A 45 11.039 -10.122 -4.873 1.00 0.00 O ATOM 663 OE2 GLU A 45 11.807 -8.628 -6.269 1.00 0.00 O ATOM 0 H GLU A 45 7.949 -5.970 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 45 6.883 -8.163 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.116 -7.967 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.408 -9.506 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.935 -9.082 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.567 -7.497 -6.151 1.00 0.00 H new ATOM 670 N MET A 46 6.035 -7.271 -2.759 1.00 0.00 N ATOM 671 CA MET A 46 5.191 -7.570 -1.600 1.00 0.00 C ATOM 672 C MET A 46 4.221 -6.453 -1.244 1.00 0.00 C ATOM 673 O MET A 46 3.373 -6.665 -0.380 1.00 0.00 O ATOM 674 CB MET A 46 6.068 -7.853 -0.369 1.00 0.00 C ATOM 675 CG MET A 46 7.133 -8.932 -0.593 1.00 0.00 C ATOM 676 SD MET A 46 6.528 -10.551 -1.143 1.00 0.00 S ATOM 677 CE MET A 46 5.768 -11.129 0.389 1.00 0.00 C ATOM 0 H MET A 46 6.507 -6.369 -2.697 1.00 0.00 H new ATOM 0 HA MET A 46 4.602 -8.443 -1.881 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.561 -6.929 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.427 -8.157 0.458 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.845 -8.563 -1.332 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.683 -9.070 0.338 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.341 -12.120 0.232 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.523 -11.179 1.173 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.980 -10.438 0.688 1.00 0.00 H new ATOM 687 N GLY A 47 4.303 -5.277 -1.868 1.00 0.00 N ATOM 688 CA GLY A 47 3.546 -4.085 -1.489 1.00 0.00 C ATOM 689 C GLY A 47 2.027 -4.260 -1.510 1.00 0.00 C ATOM 690 O GLY A 47 1.311 -3.460 -0.912 1.00 0.00 O ATOM 0 H GLY A 47 4.913 -5.124 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.849 -3.782 -0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.814 -3.271 -2.163 1.00 0.00 H new ATOM 694 N ASP A 48 1.525 -5.312 -2.157 1.00 0.00 N ATOM 695 CA ASP A 48 0.111 -5.677 -2.162 1.00 0.00 C ATOM 696 C ASP A 48 -0.371 -6.097 -0.765 1.00 0.00 C ATOM 697 O ASP A 48 -1.548 -5.946 -0.436 1.00 0.00 O ATOM 698 CB ASP A 48 -0.115 -6.812 -3.164 1.00 0.00 C ATOM 699 CG ASP A 48 -1.588 -7.245 -3.194 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.413 -6.555 -3.833 1.00 0.00 O ATOM 701 OD2 ASP A 48 -1.915 -8.291 -2.594 1.00 0.00 O ATOM 0 H ASP A 48 2.105 -5.948 -2.704 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.469 -4.802 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.191 -6.488 -4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.511 -7.664 -2.899 1.00 0.00 H new ATOM 706 N LYS A 49 0.548 -6.591 0.073 1.00 0.00 N ATOM 707 CA LYS A 49 0.306 -7.043 1.441 1.00 0.00 C ATOM 708 C LYS A 49 1.183 -6.298 2.452 1.00 0.00 C ATOM 709 O LYS A 49 0.846 -6.295 3.635 1.00 0.00 O ATOM 710 CB LYS A 49 0.605 -8.552 1.524 1.00 0.00 C ATOM 711 CG LYS A 49 -0.251 -9.468 0.630 1.00 0.00 C ATOM 712 CD LYS A 49 -1.629 -9.833 1.216 1.00 0.00 C ATOM 713 CE LYS A 49 -2.722 -8.761 1.069 1.00 0.00 C ATOM 714 NZ LYS A 49 -3.334 -8.739 -0.280 1.00 0.00 N ATOM 0 H LYS A 49 1.526 -6.690 -0.201 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.735 -6.838 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.653 -8.707 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.479 -8.869 2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.399 -8.979 -0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.303 -10.387 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.976 -10.748 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.505 -10.056 2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.500 -8.939 1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.294 -7.782 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.014 -7.954 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.591 -8.609 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.827 -9.638 -0.452 1.00 0.00 H new ATOM 728 N LEU A 50 2.286 -5.679 2.018 1.00 0.00 N ATOM 729 CA LEU A 50 3.310 -5.121 2.895 1.00 0.00 C ATOM 730 C LEU A 50 3.306 -3.593 2.845 1.00 0.00 C ATOM 731 O LEU A 50 2.949 -2.989 1.834 1.00 0.00 O ATOM 732 CB LEU A 50 4.678 -5.680 2.448 1.00 0.00 C ATOM 733 CG LEU A 50 5.875 -5.354 3.363 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.681 -5.942 4.765 1.00 0.00 C ATOM 735 CD2 LEU A 50 7.159 -5.909 2.744 1.00 0.00 C ATOM 0 H LEU A 50 2.492 -5.552 1.027 1.00 0.00 H new ATOM 0 HA LEU A 50 3.107 -5.406 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.595 -6.764 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.895 -5.299 1.450 1.00 0.00 H new ATOM 0 HG LEU A 50 5.947 -4.270 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.542 -5.695 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.779 -5.525 5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.584 -7.025 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.005 -5.678 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.072 -6.990 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.317 -5.455 1.766 1.00 0.00 H new ATOM 747 N LYS A 51 3.778 -2.966 3.920 1.00 0.00 N ATOM 748 CA LYS A 51 4.105 -1.545 4.013 1.00 0.00 C ATOM 749 C LYS A 51 5.499 -1.511 4.629 1.00 0.00 C ATOM 750 O LYS A 51 5.790 -2.343 5.493 1.00 0.00 O ATOM 751 CB LYS A 51 3.071 -0.833 4.905 1.00 0.00 C ATOM 752 CG LYS A 51 3.326 0.681 5.043 1.00 0.00 C ATOM 753 CD LYS A 51 2.606 1.296 6.248 1.00 0.00 C ATOM 754 CE LYS A 51 1.079 1.242 6.127 1.00 0.00 C ATOM 755 NZ LYS A 51 0.447 1.867 7.304 1.00 0.00 N ATOM 0 H LYS A 51 3.952 -3.461 4.795 1.00 0.00 H new ATOM 0 HA LYS A 51 4.085 -1.034 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.075 -0.991 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.081 -1.288 5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.398 0.857 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.998 1.185 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.912 0.771 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.919 2.334 6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.761 1.756 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.751 0.206 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.583 1.733 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.814 1.425 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.664 2.884 7.315 1.00 0.00 H new ATOM 769 N ILE A 52 6.349 -0.572 4.225 1.00 0.00 N ATOM 770 CA ILE A 52 7.699 -0.443 4.758 1.00 0.00 C ATOM 771 C ILE A 52 7.725 0.913 5.469 1.00 0.00 C ATOM 772 O ILE A 52 7.177 1.876 4.937 1.00 0.00 O ATOM 773 CB ILE A 52 8.720 -0.614 3.607 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.594 -2.021 2.964 1.00 0.00 C ATOM 775 CG2 ILE A 52 10.159 -0.364 4.093 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.439 -2.228 1.701 1.00 0.00 C ATOM 0 H ILE A 52 6.119 0.124 3.515 1.00 0.00 H new ATOM 0 HA ILE A 52 7.979 -1.211 5.479 1.00 0.00 H new ATOM 0 HB ILE A 52 8.491 0.133 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.880 -2.770 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.547 -2.200 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.851 -0.492 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.241 0.652 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.405 -1.074 4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.287 -3.239 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.139 -1.507 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.493 -2.085 1.941 1.00 0.00 H new ATOM 788 N VAL A 53 8.310 1.008 6.665 1.00 0.00 N ATOM 789 CA VAL A 53 8.189 2.195 7.524 1.00 0.00 C ATOM 790 C VAL A 53 9.577 2.594 8.031 1.00 0.00 C ATOM 791 O VAL A 53 10.098 2.011 8.980 1.00 0.00 O ATOM 792 CB VAL A 53 7.164 1.931 8.655 1.00 0.00 C ATOM 793 CG1 VAL A 53 7.067 3.103 9.645 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.752 1.700 8.091 1.00 0.00 C ATOM 0 H VAL A 53 8.882 0.266 7.068 1.00 0.00 H new ATOM 0 HA VAL A 53 7.802 3.043 6.960 1.00 0.00 H new ATOM 0 HB VAL A 53 7.527 1.041 9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.335 2.867 10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.040 3.271 10.106 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.757 4.003 9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.058 1.518 8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.433 2.582 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.763 0.836 7.426 1.00 0.00 H new ATOM 804 N LYS A 54 10.207 3.581 7.395 1.00 0.00 N ATOM 805 CA LYS A 54 11.491 4.099 7.857 1.00 0.00 C ATOM 806 C LYS A 54 11.245 4.956 9.099 1.00 0.00 C ATOM 807 O LYS A 54 10.277 5.723 9.130 1.00 0.00 O ATOM 808 CB LYS A 54 12.189 4.889 6.736 1.00 0.00 C ATOM 809 CG LYS A 54 12.484 3.990 5.520 1.00 0.00 C ATOM 810 CD LYS A 54 13.209 4.712 4.377 1.00 0.00 C ATOM 811 CE LYS A 54 14.596 5.255 4.750 1.00 0.00 C ATOM 812 NZ LYS A 54 15.612 4.191 4.954 1.00 0.00 N ATOM 0 H LYS A 54 9.847 4.038 6.557 1.00 0.00 H new ATOM 0 HA LYS A 54 12.160 3.280 8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.559 5.724 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.120 5.313 7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.089 3.143 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.545 3.585 5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.315 4.024 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.588 5.540 4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.938 5.927 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.513 5.847 5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.360 4.542 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.161 3.357 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.028 3.928 4.038 1.00 0.00 H new ATOM 826 N ILE A 55 12.115 4.867 10.104 1.00 0.00 N ATOM 827 CA ILE A 55 12.033 5.683 11.313 1.00 0.00 C ATOM 828 C ILE A 55 13.453 6.076 11.736 1.00 0.00 C ATOM 829 O ILE A 55 14.356 5.233 11.799 1.00 0.00 O ATOM 830 CB ILE A 55 11.184 4.973 12.400 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.127 5.829 13.685 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.637 3.534 12.711 1.00 0.00 C ATOM 833 CD1 ILE A 55 9.983 5.439 14.629 1.00 0.00 C ATOM 0 H ILE A 55 12.904 4.220 10.101 1.00 0.00 H new ATOM 0 HA ILE A 55 11.499 6.615 11.130 1.00 0.00 H new ATOM 0 HB ILE A 55 10.181 4.876 11.985 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.074 5.736 14.217 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.018 6.878 13.409 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.993 3.108 13.480 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.572 2.929 11.807 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.667 3.546 13.066 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.003 6.081 15.510 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.030 5.559 14.114 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.102 4.399 14.935 1.00 0.00 H new ATOM 845 N ASP A 56 13.649 7.383 11.942 1.00 0.00 N ATOM 846 CA ASP A 56 14.955 8.000 12.170 1.00 0.00 C ATOM 847 C ASP A 56 15.303 7.904 13.651 1.00 0.00 C ATOM 848 O ASP A 56 14.730 8.634 14.465 1.00 0.00 O ATOM 849 CB ASP A 56 14.954 9.467 11.719 1.00 0.00 C ATOM 850 CG ASP A 56 16.304 10.175 11.963 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.275 9.539 12.432 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.386 11.384 11.648 1.00 0.00 O ATOM 0 H ASP A 56 12.882 8.056 11.955 1.00 0.00 H new ATOM 0 HA ASP A 56 15.704 7.470 11.582 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.712 9.515 10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.168 10.004 12.250 1.00 0.00 H new ATOM 857 N VAL A 57 16.208 7.001 14.022 1.00 0.00 N ATOM 858 CA VAL A 57 16.553 6.752 15.416 1.00 0.00 C ATOM 859 C VAL A 57 17.078 8.011 16.111 1.00 0.00 C ATOM 860 O VAL A 57 16.901 8.132 17.322 1.00 0.00 O ATOM 861 CB VAL A 57 17.523 5.558 15.556 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.896 4.284 14.975 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.900 5.772 14.910 1.00 0.00 C ATOM 0 H VAL A 57 16.723 6.420 13.360 1.00 0.00 H new ATOM 0 HA VAL A 57 15.633 6.476 15.932 1.00 0.00 H new ATOM 0 HB VAL A 57 17.692 5.459 16.628 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.594 3.453 15.082 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.974 4.055 15.510 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.674 4.437 13.919 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.513 4.883 15.058 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.777 5.954 13.842 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.389 6.631 15.371 1.00 0.00 H new ATOM 873 N ASP A 58 17.666 8.968 15.383 1.00 0.00 N ATOM 874 CA ASP A 58 18.245 10.176 15.978 1.00 0.00 C ATOM 875 C ASP A 58 17.180 11.068 16.631 1.00 0.00 C ATOM 876 O ASP A 58 17.500 11.882 17.497 1.00 0.00 O ATOM 877 CB ASP A 58 19.024 10.971 14.925 1.00 0.00 C ATOM 878 CG ASP A 58 19.756 12.172 15.550 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.698 11.962 16.347 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.432 13.332 15.210 1.00 0.00 O ATOM 0 H ASP A 58 17.753 8.926 14.368 1.00 0.00 H new ATOM 0 HA ASP A 58 18.928 9.852 16.763 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.747 10.318 14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.339 11.323 14.153 1.00 0.00 H new ATOM 885 N GLU A 59 15.908 10.876 16.269 1.00 0.00 N ATOM 886 CA GLU A 59 14.762 11.602 16.818 1.00 0.00 C ATOM 887 C GLU A 59 13.769 10.640 17.491 1.00 0.00 C ATOM 888 O GLU A 59 12.702 11.065 17.936 1.00 0.00 O ATOM 889 CB GLU A 59 14.080 12.404 15.697 1.00 0.00 C ATOM 890 CG GLU A 59 14.980 13.502 15.112 1.00 0.00 C ATOM 891 CD GLU A 59 14.182 14.471 14.219 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.880 14.138 13.050 1.00 0.00 O ATOM 893 OE2 GLU A 59 13.855 15.591 14.674 1.00 0.00 O ATOM 0 H GLU A 59 15.641 10.189 15.564 1.00 0.00 H new ATOM 0 HA GLU A 59 15.114 12.292 17.584 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.782 11.723 14.900 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.168 12.858 16.085 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.451 14.058 15.923 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.781 13.046 14.530 1.00 0.00 H new ATOM 900 N ASN A 60 14.102 9.345 17.570 1.00 0.00 N ATOM 901 CA ASN A 60 13.191 8.279 17.997 1.00 0.00 C ATOM 902 C ASN A 60 13.937 7.296 18.897 1.00 0.00 C ATOM 903 O ASN A 60 13.759 6.079 18.801 1.00 0.00 O ATOM 904 CB ASN A 60 12.535 7.597 16.784 1.00 0.00 C ATOM 905 CG ASN A 60 11.600 8.549 16.054 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.475 8.783 16.480 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.040 9.128 14.951 1.00 0.00 N ATOM 0 H ASN A 60 15.033 9.003 17.333 1.00 0.00 H new ATOM 0 HA ASN A 60 12.377 8.707 18.581 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.307 7.246 16.100 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.979 6.719 17.114 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.441 9.779 14.443 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.979 8.924 14.608 1.00 0.00 H new ATOM 914 N GLN A 61 14.796 7.832 19.771 1.00 0.00 N ATOM 915 CA GLN A 61 15.557 7.057 20.744 1.00 0.00 C ATOM 916 C GLN A 61 14.630 6.211 21.622 1.00 0.00 C ATOM 917 O GLN A 61 15.005 5.105 22.003 1.00 0.00 O ATOM 918 CB GLN A 61 16.408 7.995 21.619 1.00 0.00 C ATOM 919 CG GLN A 61 17.563 8.660 20.853 1.00 0.00 C ATOM 920 CD GLN A 61 18.664 7.660 20.490 1.00 0.00 C ATOM 921 OE1 GLN A 61 19.487 7.283 21.321 1.00 0.00 O ATOM 922 NE2 GLN A 61 18.700 7.203 19.250 1.00 0.00 N ATOM 0 H GLN A 61 14.982 8.834 19.819 1.00 0.00 H new ATOM 0 HA GLN A 61 16.216 6.381 20.199 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.767 8.770 22.039 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.815 7.429 22.457 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.177 9.120 19.943 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.986 9.460 21.460 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.012 7.523 18.568 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.416 6.531 18.975 1.00 0.00 H new ATOM 931 N GLU A 62 13.421 6.698 21.923 1.00 0.00 N ATOM 932 CA GLU A 62 12.459 5.964 22.734 1.00 0.00 C ATOM 933 C GLU A 62 11.993 4.710 21.994 1.00 0.00 C ATOM 934 O GLU A 62 12.042 3.618 22.557 1.00 0.00 O ATOM 935 CB GLU A 62 11.262 6.863 23.093 1.00 0.00 C ATOM 936 CG GLU A 62 11.632 8.071 23.970 1.00 0.00 C ATOM 937 CD GLU A 62 12.201 7.660 25.342 1.00 0.00 C ATOM 938 OE1 GLU A 62 11.423 7.247 26.231 1.00 0.00 O ATOM 939 OE2 GLU A 62 13.430 7.769 25.555 1.00 0.00 O ATOM 0 H GLU A 62 13.088 7.610 21.610 1.00 0.00 H new ATOM 0 HA GLU A 62 12.943 5.657 23.661 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.801 7.222 22.173 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.514 6.265 23.613 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.366 8.684 23.446 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.748 8.691 24.119 1.00 0.00 H new ATOM 946 N THR A 63 11.593 4.832 20.727 1.00 0.00 N ATOM 947 CA THR A 63 11.109 3.714 19.929 1.00 0.00 C ATOM 948 C THR A 63 12.251 2.721 19.677 1.00 0.00 C ATOM 949 O THR A 63 12.050 1.516 19.756 1.00 0.00 O ATOM 950 CB THR A 63 10.539 4.234 18.599 1.00 0.00 C ATOM 951 OG1 THR A 63 10.044 5.560 18.728 1.00 0.00 O ATOM 952 CG2 THR A 63 9.425 3.344 18.040 1.00 0.00 C ATOM 0 H THR A 63 11.598 5.720 20.225 1.00 0.00 H new ATOM 0 HA THR A 63 10.315 3.199 20.470 1.00 0.00 H new ATOM 0 HB THR A 63 11.374 4.218 17.899 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.690 5.862 17.866 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.062 3.762 17.101 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.814 2.341 17.865 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.605 3.295 18.756 1.00 0.00 H new ATOM 960 N ALA A 64 13.468 3.202 19.419 1.00 0.00 N ATOM 961 CA ALA A 64 14.647 2.354 19.305 1.00 0.00 C ATOM 962 C ALA A 64 14.877 1.584 20.610 1.00 0.00 C ATOM 963 O ALA A 64 15.004 0.357 20.594 1.00 0.00 O ATOM 964 CB ALA A 64 15.854 3.227 18.932 1.00 0.00 C ATOM 0 H ALA A 64 13.660 4.194 19.283 1.00 0.00 H new ATOM 0 HA ALA A 64 14.502 1.613 18.519 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.742 2.601 18.844 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.664 3.723 17.980 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.014 3.977 19.707 1.00 0.00 H new ATOM 970 N GLY A 65 14.853 2.280 21.749 1.00 0.00 N ATOM 971 CA GLY A 65 14.997 1.683 23.069 1.00 0.00 C ATOM 972 C GLY A 65 13.895 0.665 23.368 1.00 0.00 C ATOM 973 O GLY A 65 14.145 -0.308 24.081 1.00 0.00 O ATOM 0 H GLY A 65 14.730 3.292 21.775 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.969 1.195 23.141 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.978 2.468 23.825 1.00 0.00 H new ATOM 977 N LYS A 66 12.706 0.834 22.776 1.00 0.00 N ATOM 978 CA LYS A 66 11.552 -0.045 22.945 1.00 0.00 C ATOM 979 C LYS A 66 11.888 -1.495 22.588 1.00 0.00 C ATOM 980 O LYS A 66 11.316 -2.406 23.189 1.00 0.00 O ATOM 981 CB LYS A 66 10.379 0.488 22.105 1.00 0.00 C ATOM 982 CG LYS A 66 9.029 -0.039 22.612 1.00 0.00 C ATOM 983 CD LYS A 66 7.875 0.749 21.985 1.00 0.00 C ATOM 984 CE LYS A 66 6.528 0.170 22.439 1.00 0.00 C ATOM 985 NZ LYS A 66 5.375 0.923 21.883 1.00 0.00 N ATOM 0 H LYS A 66 12.519 1.614 22.146 1.00 0.00 H new ATOM 0 HA LYS A 66 11.262 -0.046 23.996 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.378 1.578 22.133 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.515 0.196 21.064 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.930 -1.097 22.367 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.985 0.043 23.698 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.943 1.798 22.272 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.947 0.711 20.898 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.461 -0.873 22.130 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.477 0.184 23.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.488 0.496 22.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.422 1.913 22.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.406 0.889 20.844 1.00 0.00 H new ATOM 999 N TYR A 67 12.841 -1.711 21.673 1.00 0.00 N ATOM 1000 CA TYR A 67 13.270 -3.047 21.247 1.00 0.00 C ATOM 1001 C TYR A 67 14.780 -3.250 21.448 1.00 0.00 C ATOM 1002 O TYR A 67 15.342 -4.228 20.950 1.00 0.00 O ATOM 1003 CB TYR A 67 12.856 -3.298 19.787 1.00 0.00 C ATOM 1004 CG TYR A 67 11.584 -2.595 19.358 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.328 -3.037 19.810 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.682 -1.420 18.593 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.167 -2.308 19.492 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.533 -0.682 18.286 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.265 -1.124 18.725 1.00 0.00 C ATOM 1010 OH TYR A 67 8.155 -0.391 18.429 1.00 0.00 O ATOM 0 H TYR A 67 13.340 -0.955 21.204 1.00 0.00 H new ATOM 0 HA TYR A 67 12.768 -3.782 21.877 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.668 -2.980 19.134 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.729 -4.370 19.639 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.254 -3.937 20.402 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.647 -1.086 18.241 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.202 -2.652 19.833 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.616 0.229 17.711 1.00 0.00 H new ATOM 0 HH TYR A 67 8.235 -0.027 17.522 1.00 0.00 H new ATOM 1020 N GLY A 68 15.453 -2.334 22.154 1.00 0.00 N ATOM 1021 CA GLY A 68 16.895 -2.371 22.360 1.00 0.00 C ATOM 1022 C GLY A 68 17.681 -2.215 21.054 1.00 0.00 C ATOM 1023 O GLY A 68 18.763 -2.789 20.924 1.00 0.00 O ATOM 0 H GLY A 68 15.000 -1.538 22.602 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.180 -1.576 23.049 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.167 -3.315 22.833 1.00 0.00 H new ATOM 1027 N VAL A 69 17.148 -1.476 20.075 1.00 0.00 N ATOM 1028 CA VAL A 69 17.878 -1.107 18.867 1.00 0.00 C ATOM 1029 C VAL A 69 19.017 -0.176 19.303 1.00 0.00 C ATOM 1030 O VAL A 69 18.765 0.871 19.903 1.00 0.00 O ATOM 1031 CB VAL A 69 16.930 -0.441 17.841 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.667 -0.075 16.546 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.721 -1.329 17.502 1.00 0.00 C ATOM 0 H VAL A 69 16.193 -1.118 20.103 1.00 0.00 H new ATOM 0 HA VAL A 69 18.292 -1.982 18.366 1.00 0.00 H new ATOM 0 HB VAL A 69 16.567 0.470 18.316 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.970 0.390 15.849 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.474 0.622 16.771 1.00 0.00 H new ATOM 0 HG13 VAL A 69 18.082 -0.977 16.096 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.086 -0.818 16.778 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.069 -2.271 17.078 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.150 -1.528 18.409 1.00 0.00 H new ATOM 1043 N MET A 70 20.263 -0.559 19.005 1.00 0.00 N ATOM 1044 CA MET A 70 21.477 0.184 19.366 1.00 0.00 C ATOM 1045 C MET A 70 22.431 0.324 18.166 1.00 0.00 C ATOM 1046 O MET A 70 23.506 0.913 18.296 1.00 0.00 O ATOM 1047 CB MET A 70 22.182 -0.516 20.544 1.00 0.00 C ATOM 1048 CG MET A 70 21.379 -0.482 21.852 1.00 0.00 C ATOM 1049 SD MET A 70 21.136 1.169 22.567 1.00 0.00 S ATOM 1050 CE MET A 70 20.036 0.736 23.944 1.00 0.00 C ATOM 0 H MET A 70 20.461 -1.418 18.492 1.00 0.00 H new ATOM 0 HA MET A 70 21.187 1.190 19.668 1.00 0.00 H new ATOM 0 HB2 MET A 70 22.377 -1.554 20.274 1.00 0.00 H new ATOM 0 HB3 MET A 70 23.150 -0.043 20.710 1.00 0.00 H new ATOM 0 HG2 MET A 70 20.402 -0.930 21.671 1.00 0.00 H new ATOM 0 HG3 MET A 70 21.885 -1.108 22.587 1.00 0.00 H new ATOM 0 HE1 MET A 70 19.779 1.637 24.501 1.00 0.00 H new ATOM 0 HE2 MET A 70 19.127 0.279 23.553 1.00 0.00 H new ATOM 0 HE3 MET A 70 20.541 0.032 24.605 1.00 0.00 H new ATOM 1060 N SER A 71 22.030 -0.183 16.997 1.00 0.00 N ATOM 1061 CA SER A 71 22.758 -0.153 15.740 1.00 0.00 C ATOM 1062 C SER A 71 21.726 -0.015 14.616 1.00 0.00 C ATOM 1063 O SER A 71 20.544 -0.308 14.826 1.00 0.00 O ATOM 1064 CB SER A 71 23.568 -1.450 15.569 1.00 0.00 C ATOM 1065 OG SER A 71 24.448 -1.676 16.662 1.00 0.00 O ATOM 0 H SER A 71 21.130 -0.654 16.905 1.00 0.00 H new ATOM 0 HA SER A 71 23.458 0.682 15.718 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.885 -2.294 15.473 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.144 -1.399 14.645 1.00 0.00 H new ATOM 0 HG SER A 71 24.943 -2.509 16.517 1.00 0.00 H new ATOM 1071 N ILE A 72 22.161 0.402 13.427 1.00 0.00 N ATOM 1072 CA ILE A 72 21.325 0.542 12.237 1.00 0.00 C ATOM 1073 C ILE A 72 22.147 0.116 11.000 1.00 0.00 C ATOM 1074 O ILE A 72 23.379 0.175 11.067 1.00 0.00 O ATOM 1075 CB ILE A 72 20.772 1.982 12.111 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.886 3.054 12.061 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.759 2.289 13.232 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.365 4.439 11.669 1.00 0.00 C ATOM 0 H ILE A 72 23.134 0.659 13.261 1.00 0.00 H new ATOM 0 HA ILE A 72 20.455 -0.109 12.316 1.00 0.00 H new ATOM 0 HB ILE A 72 20.253 2.029 11.153 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.368 3.116 13.037 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.650 2.744 11.348 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.388 3.307 13.118 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.925 1.590 13.171 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.247 2.187 14.201 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.193 5.148 11.651 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.908 4.390 10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.622 4.767 12.396 1.00 0.00 H new ATOM 1090 N PRO A 73 21.525 -0.296 9.875 1.00 0.00 N ATOM 1091 CA PRO A 73 20.092 -0.508 9.702 1.00 0.00 C ATOM 1092 C PRO A 73 19.619 -1.663 10.582 1.00 0.00 C ATOM 1093 O PRO A 73 20.324 -2.662 10.735 1.00 0.00 O ATOM 1094 CB PRO A 73 19.888 -0.829 8.216 1.00 0.00 C ATOM 1095 CG PRO A 73 21.230 -1.411 7.778 1.00 0.00 C ATOM 1096 CD PRO A 73 22.240 -0.688 8.669 1.00 0.00 C ATOM 0 HA PRO A 73 19.515 0.369 9.995 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.076 -1.542 8.069 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.635 0.065 7.645 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.266 -2.491 7.924 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.422 -1.226 6.721 1.00 0.00 H new ATOM 0 HD2 PRO A 73 23.080 -1.340 8.911 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.650 0.185 8.161 1.00 0.00 H new ATOM 1104 N THR A 74 18.420 -1.529 11.138 1.00 0.00 N ATOM 1105 CA THR A 74 17.790 -2.576 11.931 1.00 0.00 C ATOM 1106 C THR A 74 16.337 -2.657 11.479 1.00 0.00 C ATOM 1107 O THR A 74 15.676 -1.632 11.320 1.00 0.00 O ATOM 1108 CB THR A 74 17.980 -2.257 13.425 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.339 -2.446 13.757 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.149 -3.151 14.347 1.00 0.00 C ATOM 0 H THR A 74 17.855 -0.685 11.050 1.00 0.00 H new ATOM 0 HA THR A 74 18.238 -3.559 11.785 1.00 0.00 H new ATOM 0 HB THR A 74 17.651 -1.228 13.572 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.653 -1.689 14.294 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.331 -2.872 15.385 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.091 -3.026 14.118 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.433 -4.193 14.196 1.00 0.00 H new ATOM 1118 N LEU A 75 15.847 -3.868 11.229 1.00 0.00 N ATOM 1119 CA LEU A 75 14.518 -4.096 10.691 1.00 0.00 C ATOM 1120 C LEU A 75 13.672 -4.716 11.792 1.00 0.00 C ATOM 1121 O LEU A 75 14.113 -5.657 12.458 1.00 0.00 O ATOM 1122 CB LEU A 75 14.539 -5.004 9.455 1.00 0.00 C ATOM 1123 CG LEU A 75 15.193 -4.446 8.172 1.00 0.00 C ATOM 1124 CD1 LEU A 75 14.971 -2.957 7.910 1.00 0.00 C ATOM 1125 CD2 LEU A 75 16.692 -4.763 8.091 1.00 0.00 C ATOM 0 H LEU A 75 16.372 -4.726 11.398 1.00 0.00 H new ATOM 0 HA LEU A 75 14.097 -3.145 10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.056 -5.925 9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.510 -5.274 9.218 1.00 0.00 H new ATOM 0 HG LEU A 75 14.661 -4.976 7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.473 -2.672 6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.903 -2.759 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 75 15.379 -2.377 8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.102 -4.348 7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.204 -4.323 8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.836 -5.843 8.098 1.00 0.00 H new ATOM 1137 N LEU A 76 12.450 -4.217 11.962 1.00 0.00 N ATOM 1138 CA LEU A 76 11.488 -4.737 12.929 1.00 0.00 C ATOM 1139 C LEU A 76 10.309 -5.105 12.056 1.00 0.00 C ATOM 1140 O LEU A 76 9.841 -4.278 11.277 1.00 0.00 O ATOM 1141 CB LEU A 76 11.083 -3.674 13.978 1.00 0.00 C ATOM 1142 CG LEU A 76 11.988 -3.480 15.214 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.871 -4.667 16.173 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.455 -3.253 14.850 1.00 0.00 C ATOM 0 H LEU A 76 12.095 -3.427 11.423 1.00 0.00 H new ATOM 0 HA LEU A 76 11.885 -5.568 13.512 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.009 -2.714 13.467 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.083 -3.923 14.334 1.00 0.00 H new ATOM 0 HG LEU A 76 11.631 -2.577 15.709 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.519 -4.504 17.034 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.838 -4.763 16.509 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.172 -5.580 15.660 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.040 -3.123 15.761 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.830 -4.114 14.297 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.543 -2.359 14.232 1.00 0.00 H new ATOM 1156 N VAL A 77 9.848 -6.341 12.143 1.00 0.00 N ATOM 1157 CA VAL A 77 8.732 -6.822 11.362 1.00 0.00 C ATOM 1158 C VAL A 77 7.585 -6.845 12.355 1.00 0.00 C ATOM 1159 O VAL A 77 7.699 -7.462 13.419 1.00 0.00 O ATOM 1160 CB VAL A 77 9.035 -8.198 10.735 1.00 0.00 C ATOM 1161 CG1 VAL A 77 8.168 -8.360 9.476 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.516 -8.389 10.354 1.00 0.00 C ATOM 0 H VAL A 77 10.246 -7.043 12.767 1.00 0.00 H new ATOM 0 HA VAL A 77 8.499 -6.195 10.501 1.00 0.00 H new ATOM 0 HB VAL A 77 8.806 -8.953 11.487 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.369 -9.329 9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.115 -8.299 9.749 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.405 -7.567 8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.655 -9.379 9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.806 -7.630 9.628 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.136 -8.294 11.245 1.00 0.00 H new ATOM 1172 N LEU A 78 6.509 -6.128 12.052 1.00 0.00 N ATOM 1173 CA LEU A 78 5.368 -5.976 12.930 1.00 0.00 C ATOM 1174 C LEU A 78 4.160 -6.534 12.204 1.00 0.00 C ATOM 1175 O LEU A 78 4.129 -6.559 10.973 1.00 0.00 O ATOM 1176 CB LEU A 78 5.144 -4.503 13.329 1.00 0.00 C ATOM 1177 CG LEU A 78 6.315 -3.893 14.130 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.271 -3.102 13.229 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.817 -2.985 15.260 1.00 0.00 C ATOM 0 H LEU A 78 6.409 -5.628 11.169 1.00 0.00 H new ATOM 0 HA LEU A 78 5.541 -6.518 13.860 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.985 -3.912 12.427 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.233 -4.431 13.923 1.00 0.00 H new ATOM 0 HG LEU A 78 6.857 -4.733 14.565 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.081 -2.689 13.831 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.685 -3.764 12.468 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.728 -2.290 12.746 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.670 -2.575 15.800 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.228 -2.170 14.839 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.198 -3.564 15.945 1.00 0.00 H new ATOM 1191 N LYS A 79 3.148 -6.949 12.955 1.00 0.00 N ATOM 1192 CA LYS A 79 1.854 -7.312 12.409 1.00 0.00 C ATOM 1193 C LYS A 79 0.803 -6.709 13.317 1.00 0.00 C ATOM 1194 O LYS A 79 0.826 -6.957 14.520 1.00 0.00 O ATOM 1195 CB LYS A 79 1.716 -8.837 12.300 1.00 0.00 C ATOM 1196 CG LYS A 79 0.404 -9.208 11.598 1.00 0.00 C ATOM 1197 CD LYS A 79 0.249 -10.721 11.429 1.00 0.00 C ATOM 1198 CE LYS A 79 -1.093 -11.031 10.748 1.00 0.00 C ATOM 1199 NZ LYS A 79 -1.295 -12.485 10.549 1.00 0.00 N ATOM 0 H LYS A 79 3.207 -7.043 13.969 1.00 0.00 H new ATOM 0 HA LYS A 79 1.733 -6.926 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.561 -9.246 11.745 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.742 -9.283 13.294 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.437 -8.820 12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.369 -8.729 10.620 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.071 -11.116 10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.297 -11.212 12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.907 -10.632 11.354 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.135 -10.524 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.205 -12.647 10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.524 -12.866 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.298 -12.965 11.472 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.115 -5.942 12.730 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.302 -5.397 13.394 1.00 0.00 C ATOM 1215 C ASP A 80 -0.963 -4.728 14.743 1.00 0.00 C ATOM 1216 O ASP A 80 -1.708 -4.819 15.720 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.385 -6.486 13.493 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.733 -5.939 13.999 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.187 -4.880 13.511 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.380 -6.602 14.842 1.00 0.00 O ATOM 0 H ASP A 80 -0.052 -5.673 11.748 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.710 -4.589 12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.527 -6.941 12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.042 -7.274 14.164 1.00 0.00 H new ATOM 1225 N GLY A 81 0.203 -4.073 14.802 1.00 0.00 N ATOM 1226 CA GLY A 81 0.615 -3.235 15.918 1.00 0.00 C ATOM 1227 C GLY A 81 1.553 -3.909 16.926 1.00 0.00 C ATOM 1228 O GLY A 81 1.910 -3.256 17.908 1.00 0.00 O ATOM 0 H GLY A 81 0.896 -4.117 14.055 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.109 -2.347 15.523 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.276 -2.895 16.446 1.00 0.00 H new ATOM 1232 N GLU A 82 1.978 -5.164 16.722 1.00 0.00 N ATOM 1233 CA GLU A 82 2.944 -5.838 17.597 1.00 0.00 C ATOM 1234 C GLU A 82 4.163 -6.262 16.782 1.00 0.00 C ATOM 1235 O GLU A 82 4.018 -6.622 15.616 1.00 0.00 O ATOM 1236 CB GLU A 82 2.282 -7.024 18.325 1.00 0.00 C ATOM 1237 CG GLU A 82 2.185 -8.347 17.537 1.00 0.00 C ATOM 1238 CD GLU A 82 1.428 -9.418 18.342 1.00 0.00 C ATOM 1239 OE1 GLU A 82 2.056 -10.132 19.158 1.00 0.00 O ATOM 1240 OE2 GLU A 82 0.198 -9.571 18.168 1.00 0.00 O ATOM 0 H GLU A 82 1.660 -5.741 15.943 1.00 0.00 H new ATOM 0 HA GLU A 82 3.284 -5.148 18.369 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.837 -7.214 19.243 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.275 -6.726 18.617 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.676 -8.173 16.589 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.186 -8.706 17.299 1.00 0.00 H new ATOM 1247 N VAL A 83 5.360 -6.236 17.376 1.00 0.00 N ATOM 1248 CA VAL A 83 6.544 -6.827 16.762 1.00 0.00 C ATOM 1249 C VAL A 83 6.319 -8.333 16.707 1.00 0.00 C ATOM 1250 O VAL A 83 5.991 -8.960 17.718 1.00 0.00 O ATOM 1251 CB VAL A 83 7.823 -6.459 17.541 1.00 0.00 C ATOM 1252 CG1 VAL A 83 9.073 -7.087 16.907 1.00 0.00 C ATOM 1253 CG2 VAL A 83 8.031 -4.940 17.582 1.00 0.00 C ATOM 0 H VAL A 83 5.531 -5.809 18.286 1.00 0.00 H new ATOM 0 HA VAL A 83 6.691 -6.437 15.755 1.00 0.00 H new ATOM 0 HB VAL A 83 7.687 -6.847 18.550 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.954 -6.805 17.484 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.973 -8.172 16.904 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.180 -6.730 15.883 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.940 -4.712 18.138 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.122 -4.558 16.565 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.179 -4.469 18.072 1.00 0.00 H new ATOM 1263 N VAL A 84 6.539 -8.903 15.527 1.00 0.00 N ATOM 1264 CA VAL A 84 6.489 -10.330 15.290 1.00 0.00 C ATOM 1265 C VAL A 84 7.876 -10.874 14.910 1.00 0.00 C ATOM 1266 O VAL A 84 8.119 -12.052 15.171 1.00 0.00 O ATOM 1267 CB VAL A 84 5.364 -10.666 14.286 1.00 0.00 C ATOM 1268 CG1 VAL A 84 3.980 -10.283 14.830 1.00 0.00 C ATOM 1269 CG2 VAL A 84 5.546 -10.010 12.907 1.00 0.00 C ATOM 0 H VAL A 84 6.763 -8.365 14.690 1.00 0.00 H new ATOM 0 HA VAL A 84 6.227 -10.851 16.211 1.00 0.00 H new ATOM 0 HB VAL A 84 5.430 -11.746 14.156 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.217 -10.536 14.094 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.788 -10.829 15.754 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.951 -9.212 15.029 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.718 -10.293 12.257 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.566 -8.926 13.019 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.484 -10.346 12.465 1.00 0.00 H new ATOM 1279 N GLU A 85 8.821 -10.054 14.409 1.00 0.00 N ATOM 1280 CA GLU A 85 10.203 -10.492 14.158 1.00 0.00 C ATOM 1281 C GLU A 85 11.170 -9.296 14.161 1.00 0.00 C ATOM 1282 O GLU A 85 10.735 -8.145 14.103 1.00 0.00 O ATOM 1283 CB GLU A 85 10.296 -11.271 12.821 1.00 0.00 C ATOM 1284 CG GLU A 85 10.570 -12.777 12.988 1.00 0.00 C ATOM 1285 CD GLU A 85 11.986 -13.125 13.495 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.533 -12.413 14.365 1.00 0.00 O ATOM 1287 OE2 GLU A 85 12.545 -14.156 13.056 1.00 0.00 O ATOM 0 H GLU A 85 8.647 -9.078 14.170 1.00 0.00 H new ATOM 0 HA GLU A 85 10.496 -11.163 14.966 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.364 -11.141 12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.088 -10.834 12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.839 -13.190 13.683 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.412 -13.269 12.029 1.00 0.00 H new ATOM 1294 N THR A 86 12.478 -9.568 14.187 1.00 0.00 N ATOM 1295 CA THR A 86 13.552 -8.578 14.247 1.00 0.00 C ATOM 1296 C THR A 86 14.742 -9.070 13.401 1.00 0.00 C ATOM 1297 O THR A 86 14.949 -10.278 13.256 1.00 0.00 O ATOM 1298 CB THR A 86 13.974 -8.379 15.723 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.851 -8.191 16.571 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.914 -7.181 15.916 1.00 0.00 C ATOM 0 H THR A 86 12.830 -10.525 14.166 1.00 0.00 H new ATOM 0 HA THR A 86 13.211 -7.623 13.847 1.00 0.00 H new ATOM 0 HB THR A 86 14.501 -9.295 15.992 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.155 -8.070 17.495 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.176 -7.091 16.970 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.820 -7.331 15.328 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.414 -6.270 15.587 1.00 0.00 H new ATOM 1308 N SER A 87 15.537 -8.156 12.838 1.00 0.00 N ATOM 1309 CA SER A 87 16.827 -8.430 12.206 1.00 0.00 C ATOM 1310 C SER A 87 17.711 -7.182 12.302 1.00 0.00 C ATOM 1311 O SER A 87 17.199 -6.068 12.389 1.00 0.00 O ATOM 1312 CB SER A 87 16.611 -8.850 10.750 1.00 0.00 C ATOM 1313 OG SER A 87 16.181 -10.198 10.721 1.00 0.00 O ATOM 0 H SER A 87 15.288 -7.167 12.810 1.00 0.00 H new ATOM 0 HA SER A 87 17.330 -9.249 12.720 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.868 -8.207 10.278 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.536 -8.737 10.184 1.00 0.00 H new ATOM 0 HG SER A 87 15.758 -10.425 11.575 1.00 0.00 H new ATOM 1319 N VAL A 88 19.032 -7.356 12.286 1.00 0.00 N ATOM 1320 CA VAL A 88 20.008 -6.288 12.517 1.00 0.00 C ATOM 1321 C VAL A 88 21.069 -6.388 11.416 1.00 0.00 C ATOM 1322 O VAL A 88 21.453 -7.495 11.020 1.00 0.00 O ATOM 1323 CB VAL A 88 20.612 -6.430 13.934 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.625 -5.319 14.255 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.537 -6.423 15.035 1.00 0.00 C ATOM 0 H VAL A 88 19.464 -8.263 12.108 1.00 0.00 H new ATOM 0 HA VAL A 88 19.544 -5.302 12.473 1.00 0.00 H new ATOM 0 HB VAL A 88 21.119 -7.395 13.924 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.019 -5.465 15.261 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.444 -5.354 13.536 1.00 0.00 H new ATOM 0 HG13 VAL A 88 21.132 -4.349 14.196 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.014 -6.525 16.010 1.00 0.00 H new ATOM 0 HG22 VAL A 88 18.985 -5.484 14.998 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.850 -7.255 14.878 1.00 0.00 H new ATOM 1335 N GLY A 89 21.549 -5.241 10.932 1.00 0.00 N ATOM 1336 CA GLY A 89 22.459 -5.168 9.799 1.00 0.00 C ATOM 1337 C GLY A 89 21.710 -5.401 8.487 1.00 0.00 C ATOM 1338 O GLY A 89 20.475 -5.456 8.453 1.00 0.00 O ATOM 0 H GLY A 89 21.311 -4.330 11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.944 -4.192 9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.247 -5.913 9.911 1.00 0.00 H new ATOM 1342 N PHE A 90 22.463 -5.516 7.390 1.00 0.00 N ATOM 1343 CA PHE A 90 21.901 -5.854 6.086 1.00 0.00 C ATOM 1344 C PHE A 90 21.211 -7.216 6.143 1.00 0.00 C ATOM 1345 O PHE A 90 21.612 -8.113 6.891 1.00 0.00 O ATOM 1346 CB PHE A 90 23.000 -5.823 5.012 1.00 0.00 C ATOM 1347 CG PHE A 90 22.484 -6.056 3.603 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.015 -4.971 2.840 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.437 -7.358 3.065 1.00 0.00 C ATOM 1350 CE1 PHE A 90 21.495 -5.184 1.551 1.00 0.00 C ATOM 1351 CE2 PHE A 90 21.908 -7.572 1.780 1.00 0.00 C ATOM 1352 CZ PHE A 90 21.435 -6.486 1.022 1.00 0.00 C ATOM 0 H PHE A 90 23.474 -5.378 7.383 1.00 0.00 H new ATOM 0 HA PHE A 90 21.149 -5.112 5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.505 -4.858 5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.746 -6.582 5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 90 22.055 -3.971 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.808 -8.193 3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 90 21.141 -4.347 0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.865 -8.572 1.374 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.027 -6.651 0.036 1.00 0.00 H new ATOM 1362 N LYS A 91 20.169 -7.360 5.327 1.00 0.00 N ATOM 1363 CA LYS A 91 19.287 -8.511 5.297 1.00 0.00 C ATOM 1364 C LYS A 91 18.812 -8.632 3.846 1.00 0.00 C ATOM 1365 O LYS A 91 18.293 -7.640 3.326 1.00 0.00 O ATOM 1366 CB LYS A 91 18.136 -8.215 6.274 1.00 0.00 C ATOM 1367 CG LYS A 91 17.266 -9.427 6.601 1.00 0.00 C ATOM 1368 CD LYS A 91 17.964 -10.446 7.513 1.00 0.00 C ATOM 1369 CE LYS A 91 16.952 -11.505 7.973 1.00 0.00 C ATOM 1370 NZ LYS A 91 17.431 -12.273 9.147 1.00 0.00 N ATOM 0 H LYS A 91 19.911 -6.647 4.645 1.00 0.00 H new ATOM 0 HA LYS A 91 19.753 -9.449 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.553 -7.820 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.506 -7.433 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.348 -9.088 7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.976 -9.919 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.787 -10.922 6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.394 -9.940 8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.009 -11.018 8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.750 -12.192 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.032 -13.233 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.469 -12.329 9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 17.128 -11.797 10.021 1.00 0.00 H new ATOM 1384 N PRO A 92 19.028 -9.767 3.157 1.00 0.00 N ATOM 1385 CA PRO A 92 18.688 -9.873 1.747 1.00 0.00 C ATOM 1386 C PRO A 92 17.175 -9.848 1.543 1.00 0.00 C ATOM 1387 O PRO A 92 16.397 -10.253 2.410 1.00 0.00 O ATOM 1388 CB PRO A 92 19.312 -11.177 1.242 1.00 0.00 C ATOM 1389 CG PRO A 92 19.497 -12.013 2.508 1.00 0.00 C ATOM 1390 CD PRO A 92 19.683 -10.980 3.621 1.00 0.00 C ATOM 0 HA PRO A 92 19.077 -9.025 1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.663 -11.678 0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.263 -10.997 0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.631 -12.648 2.695 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.363 -12.671 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.242 -11.329 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.741 -10.802 3.815 1.00 0.00 H new ATOM 1398 N LYS A 93 16.774 -9.436 0.340 1.00 0.00 N ATOM 1399 CA LYS A 93 15.382 -9.314 -0.088 1.00 0.00 C ATOM 1400 C LYS A 93 14.595 -10.598 0.153 1.00 0.00 C ATOM 1401 O LYS A 93 13.481 -10.561 0.667 1.00 0.00 O ATOM 1402 CB LYS A 93 15.412 -8.969 -1.582 1.00 0.00 C ATOM 1403 CG LYS A 93 14.029 -8.622 -2.128 1.00 0.00 C ATOM 1404 CD LYS A 93 14.119 -8.135 -3.574 1.00 0.00 C ATOM 1405 CE LYS A 93 14.639 -9.209 -4.544 1.00 0.00 C ATOM 1406 NZ LYS A 93 14.529 -8.771 -5.952 1.00 0.00 N ATOM 0 H LYS A 93 17.435 -9.168 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 93 14.878 -8.540 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.085 -8.127 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.818 -9.814 -2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.383 -9.498 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.572 -7.851 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.133 -7.806 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.776 -7.266 -3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.680 -9.435 -4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.074 -10.131 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.108 -9.390 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.536 -8.823 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.866 -7.791 -6.038 1.00 0.00 H new ATOM 1420 N GLU A 94 15.176 -11.729 -0.237 1.00 0.00 N ATOM 1421 CA GLU A 94 14.544 -13.037 -0.093 1.00 0.00 C ATOM 1422 C GLU A 94 14.299 -13.360 1.386 1.00 0.00 C ATOM 1423 O GLU A 94 13.235 -13.866 1.741 1.00 0.00 O ATOM 1424 CB GLU A 94 15.422 -14.097 -0.776 1.00 0.00 C ATOM 1425 CG GLU A 94 14.767 -15.486 -0.788 1.00 0.00 C ATOM 1426 CD GLU A 94 15.615 -16.500 -1.577 1.00 0.00 C ATOM 1427 OE1 GLU A 94 16.524 -17.132 -0.990 1.00 0.00 O ATOM 1428 OE2 GLU A 94 15.373 -16.693 -2.790 1.00 0.00 O ATOM 0 H GLU A 94 16.102 -11.764 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 94 13.569 -13.032 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.628 -13.788 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.381 -14.156 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.636 -15.837 0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.773 -15.418 -1.231 1.00 0.00 H new ATOM 1435 N ALA A 95 15.250 -13.031 2.265 1.00 0.00 N ATOM 1436 CA ALA A 95 15.106 -13.286 3.691 1.00 0.00 C ATOM 1437 C ALA A 95 14.038 -12.379 4.299 1.00 0.00 C ATOM 1438 O ALA A 95 13.270 -12.822 5.149 1.00 0.00 O ATOM 1439 CB ALA A 95 16.439 -13.127 4.422 1.00 0.00 C ATOM 0 H ALA A 95 16.130 -12.585 2.007 1.00 0.00 H new ATOM 0 HA ALA A 95 14.784 -14.320 3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.297 -13.324 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.163 -13.833 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 95 16.809 -12.110 4.288 1.00 0.00 H new ATOM 1445 N LEU A 96 13.953 -11.125 3.847 1.00 0.00 N ATOM 1446 CA LEU A 96 12.883 -10.228 4.258 1.00 0.00 C ATOM 1447 C LEU A 96 11.528 -10.806 3.857 1.00 0.00 C ATOM 1448 O LEU A 96 10.615 -10.825 4.680 1.00 0.00 O ATOM 1449 CB LEU A 96 13.093 -8.809 3.697 1.00 0.00 C ATOM 1450 CG LEU A 96 14.316 -8.078 4.288 1.00 0.00 C ATOM 1451 CD1 LEU A 96 14.548 -6.754 3.556 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.152 -7.808 5.789 1.00 0.00 C ATOM 0 H LEU A 96 14.618 -10.712 3.194 1.00 0.00 H new ATOM 0 HA LEU A 96 12.902 -10.140 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.207 -8.870 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.199 -8.216 3.891 1.00 0.00 H new ATOM 0 HG LEU A 96 15.178 -8.731 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.414 -6.249 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.727 -6.949 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.668 -6.120 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.036 -7.292 6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.272 -7.186 5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.032 -8.754 6.318 1.00 0.00 H new ATOM 1464 N GLN A 97 11.401 -11.344 2.642 1.00 0.00 N ATOM 1465 CA GLN A 97 10.171 -11.997 2.200 1.00 0.00 C ATOM 1466 C GLN A 97 9.839 -13.214 3.056 1.00 0.00 C ATOM 1467 O GLN A 97 8.665 -13.443 3.339 1.00 0.00 O ATOM 1468 CB GLN A 97 10.241 -12.419 0.725 1.00 0.00 C ATOM 1469 CG GLN A 97 10.162 -11.198 -0.183 1.00 0.00 C ATOM 1470 CD GLN A 97 10.276 -11.546 -1.665 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.409 -12.184 -2.255 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.352 -11.112 -2.293 1.00 0.00 N ATOM 0 H GLN A 97 12.143 -11.339 1.943 1.00 0.00 H new ATOM 0 HA GLN A 97 9.379 -11.257 2.314 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.169 -12.959 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.423 -13.103 0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 97 9.217 -10.683 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.958 -10.502 0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.061 -10.583 -1.785 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.475 -11.305 -3.287 1.00 0.00 H new ATOM 1481 N GLU A 98 10.841 -13.977 3.489 1.00 0.00 N ATOM 1482 CA GLU A 98 10.615 -15.094 4.393 1.00 0.00 C ATOM 1483 C GLU A 98 10.028 -14.585 5.706 1.00 0.00 C ATOM 1484 O GLU A 98 8.997 -15.089 6.142 1.00 0.00 O ATOM 1485 CB GLU A 98 11.900 -15.912 4.621 1.00 0.00 C ATOM 1486 CG GLU A 98 12.286 -16.804 3.430 1.00 0.00 C ATOM 1487 CD GLU A 98 11.527 -18.144 3.437 1.00 0.00 C ATOM 1488 OE1 GLU A 98 10.394 -18.212 2.912 1.00 0.00 O ATOM 1489 OE2 GLU A 98 12.069 -19.148 3.955 1.00 0.00 O ATOM 0 H GLU A 98 11.817 -13.839 3.226 1.00 0.00 H new ATOM 0 HA GLU A 98 9.896 -15.772 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.722 -15.228 4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.770 -16.537 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.078 -16.275 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.359 -16.996 3.454 1.00 0.00 H new ATOM 1496 N LEU A 99 10.620 -13.548 6.307 1.00 0.00 N ATOM 1497 CA LEU A 99 10.115 -13.000 7.567 1.00 0.00 C ATOM 1498 C LEU A 99 8.701 -12.444 7.407 1.00 0.00 C ATOM 1499 O LEU A 99 7.886 -12.602 8.311 1.00 0.00 O ATOM 1500 CB LEU A 99 11.038 -11.921 8.153 1.00 0.00 C ATOM 1501 CG LEU A 99 12.456 -12.385 8.534 1.00 0.00 C ATOM 1502 CD1 LEU A 99 13.155 -11.275 9.326 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.471 -13.687 9.346 1.00 0.00 C ATOM 0 H LEU A 99 11.446 -13.074 5.942 1.00 0.00 H new ATOM 0 HA LEU A 99 10.091 -13.833 8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 99 11.124 -11.111 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.562 -11.506 9.041 1.00 0.00 H new ATOM 0 HG LEU A 99 12.986 -12.591 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 99 14.159 -11.599 9.598 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.217 -10.375 8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.586 -11.060 10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.500 -13.957 9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.913 -13.545 10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.011 -14.485 8.763 1.00 0.00 H new ATOM 1515 N VAL A 100 8.382 -11.830 6.269 1.00 0.00 N ATOM 1516 CA VAL A 100 7.026 -11.401 5.954 1.00 0.00 C ATOM 1517 C VAL A 100 6.104 -12.630 5.908 1.00 0.00 C ATOM 1518 O VAL A 100 5.075 -12.670 6.587 1.00 0.00 O ATOM 1519 CB VAL A 100 7.058 -10.578 4.645 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.669 -10.284 4.069 1.00 0.00 C ATOM 1521 CG2 VAL A 100 7.779 -9.236 4.846 1.00 0.00 C ATOM 0 H VAL A 100 9.061 -11.617 5.539 1.00 0.00 H new ATOM 0 HA VAL A 100 6.616 -10.746 6.723 1.00 0.00 H new ATOM 0 HB VAL A 100 7.598 -11.206 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.771 -9.704 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.160 -11.223 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.087 -9.716 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.784 -8.682 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.260 -8.655 5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.805 -9.418 5.165 1.00 0.00 H new ATOM 1531 N ASN A 101 6.475 -13.658 5.145 1.00 0.00 N ATOM 1532 CA ASN A 101 5.621 -14.820 4.895 1.00 0.00 C ATOM 1533 C ASN A 101 5.414 -15.702 6.125 1.00 0.00 C ATOM 1534 O ASN A 101 4.403 -16.399 6.212 1.00 0.00 O ATOM 1535 CB ASN A 101 6.085 -15.609 3.662 1.00 0.00 C ATOM 1536 CG ASN A 101 7.155 -16.693 3.828 1.00 0.00 C ATOM 1537 OD1 ASN A 101 7.215 -17.440 4.800 1.00 0.00 O ATOM 1538 ND2 ASN A 101 7.988 -16.842 2.814 1.00 0.00 N ATOM 0 H ASN A 101 7.382 -13.709 4.680 1.00 0.00 H new ATOM 0 HA ASN A 101 4.630 -14.427 4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 101 5.205 -16.081 3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.457 -14.889 2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 101 8.689 -17.583 2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.930 -16.216 2.011 1.00 0.00 H new ATOM 1545 N LYS A 102 6.322 -15.623 7.101 1.00 0.00 N ATOM 1546 CA LYS A 102 6.147 -16.245 8.418 1.00 0.00 C ATOM 1547 C LYS A 102 4.876 -15.745 9.112 1.00 0.00 C ATOM 1548 O LYS A 102 4.334 -16.483 9.938 1.00 0.00 O ATOM 1549 CB LYS A 102 7.356 -15.992 9.337 1.00 0.00 C ATOM 1550 CG LYS A 102 8.577 -16.868 9.024 1.00 0.00 C ATOM 1551 CD LYS A 102 9.716 -16.583 10.016 1.00 0.00 C ATOM 1552 CE LYS A 102 11.000 -17.350 9.665 1.00 0.00 C ATOM 1553 NZ LYS A 102 10.875 -18.818 9.860 1.00 0.00 N ATOM 0 H LYS A 102 7.205 -15.123 7.000 1.00 0.00 H new ATOM 0 HA LYS A 102 6.059 -17.317 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.645 -14.944 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.055 -16.163 10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.299 -17.921 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.917 -16.677 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.926 -15.513 10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.396 -16.856 11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.264 -17.149 8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.819 -16.976 10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.772 -19.279 9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.651 -19.018 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.114 -19.185 9.254 1.00 0.00 H new ATOM 1567 N HIS A 103 4.399 -14.534 8.800 1.00 0.00 N ATOM 1568 CA HIS A 103 3.332 -13.882 9.556 1.00 0.00 C ATOM 1569 C HIS A 103 2.151 -13.434 8.690 1.00 0.00 C ATOM 1570 O HIS A 103 1.071 -13.218 9.243 1.00 0.00 O ATOM 1571 CB HIS A 103 3.924 -12.725 10.374 1.00 0.00 C ATOM 1572 CG HIS A 103 5.020 -13.179 11.310 1.00 0.00 C ATOM 1573 ND1 HIS A 103 4.876 -14.009 12.402 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.356 -12.910 11.186 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.098 -14.231 12.916 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.038 -13.580 12.207 1.00 0.00 N ATOM 0 H HIS A 103 4.744 -13.981 8.015 1.00 0.00 H new ATOM 0 HA HIS A 103 2.907 -14.622 10.235 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.320 -11.970 9.695 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.131 -12.250 10.952 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.807 -12.286 10.428 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.298 -14.848 13.780 1.00 0.00 H new ATOM 0 HE2 HIS A 103 8.043 -13.576 12.379 1.00 0.00 H new ATOM 1584 N LEU A 104 2.301 -13.316 7.366 1.00 0.00 N ATOM 1585 CA LEU A 104 1.161 -13.122 6.469 1.00 0.00 C ATOM 1586 C LEU A 104 0.183 -14.281 6.644 1.00 0.00 C ATOM 1587 O LEU A 104 -1.030 -14.018 6.760 1.00 0.00 O ATOM 1588 CB LEU A 104 1.584 -13.010 4.991 1.00 0.00 C ATOM 1589 CG LEU A 104 2.194 -11.663 4.568 1.00 0.00 C ATOM 1590 CD1 LEU A 104 2.558 -11.734 3.080 1.00 0.00 C ATOM 1591 CD2 LEU A 104 1.238 -10.482 4.778 1.00 0.00 C ATOM 1592 OXT LEU A 104 0.621 -15.451 6.630 1.00 0.00 O ATOM 0 H LEU A 104 3.204 -13.352 6.893 1.00 0.00 H new ATOM 0 HA LEU A 104 0.685 -12.178 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.308 -13.797 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.711 -13.204 4.368 1.00 0.00 H new ATOM 0 HG LEU A 104 3.070 -11.493 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.992 -10.785 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.281 -12.534 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.660 -11.934 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.724 -9.559 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.334 -10.636 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.975 -10.410 5.833 1.00 0.00 H new