USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 544 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 42 HIS : no HE2:sc= -12.2! C(o=-13!,f=-14!) USER MOD Set 1.2: B 11 LYS NZ :NH3+ -171:sc= -0.867 (180deg=-0.198) USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0.61 USER MOD Set 2.2: B 9 LYS NZ :NH3+ 172:sc= 0.682 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.658 (180deg=-0.0282) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.25) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.0189 (180deg=-0.186) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0482) USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= -1.9 (180deg=-2.49) USER MOD Single : A 25 TYR OH : rot 180:sc= -1.08! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 90:sc= -7.76! USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -0.874 (180deg=-1.53) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -0.0183 (180deg=-0.139) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 141:sc= 0.00832 (180deg=0) USER MOD Single : B 5 THR OG1 : rot -124:sc= -2.67! USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.208 3.346 -6.251 1.00 2.97 N ATOM 2 CA GLY A 1 10.684 3.455 -6.420 1.00 2.83 C ATOM 3 C GLY A 1 11.266 4.668 -5.718 1.00 2.42 C ATOM 4 O GLY A 1 12.245 5.250 -6.186 1.00 2.48 O ATOM 0 H1 GLY A 1 8.776 3.052 -7.150 1.00 2.97 H new ATOM 0 H2 GLY A 1 8.994 2.641 -5.517 1.00 2.97 H new ATOM 0 H3 GLY A 1 8.822 4.269 -5.967 1.00 2.97 H new ATOM 0 HA2 GLY A 1 11.158 2.553 -6.031 1.00 2.83 H new ATOM 0 HA3 GLY A 1 10.921 3.507 -7.483 1.00 2.83 H new ATOM 10 N SER A 2 10.667 5.047 -4.591 1.00 2.16 N ATOM 11 CA SER A 2 11.130 6.203 -3.827 1.00 2.05 C ATOM 12 C SER A 2 10.236 6.459 -2.619 1.00 1.75 C ATOM 13 O SER A 2 10.702 6.919 -1.578 1.00 1.62 O ATOM 14 CB SER A 2 11.177 7.446 -4.712 1.00 2.84 C ATOM 15 OG SER A 2 9.903 7.732 -5.263 1.00 3.15 O ATOM 0 H SER A 2 9.861 4.571 -4.187 1.00 2.16 H new ATOM 0 HA SER A 2 12.136 5.983 -3.469 1.00 2.05 H new ATOM 0 HB2 SER A 2 11.523 8.299 -4.128 1.00 2.84 H new ATOM 0 HB3 SER A 2 11.898 7.296 -5.515 1.00 2.84 H new ATOM 0 HG SER A 2 9.962 8.534 -5.824 1.00 3.15 H new ATOM 21 N GLN A 3 8.950 6.160 -2.762 1.00 1.94 N ATOM 22 CA GLN A 3 8.006 6.349 -1.676 1.00 1.65 C ATOM 23 C GLN A 3 7.951 5.099 -0.811 1.00 1.12 C ATOM 24 O GLN A 3 7.944 3.979 -1.322 1.00 1.83 O ATOM 25 CB GLN A 3 6.625 6.669 -2.228 1.00 2.43 C ATOM 26 CG GLN A 3 6.568 7.968 -3.016 1.00 3.29 C ATOM 27 CD GLN A 3 6.985 9.169 -2.191 1.00 4.00 C ATOM 28 OE1 GLN A 3 8.164 9.521 -2.137 1.00 4.57 O ATOM 29 NE2 GLN A 3 6.017 9.808 -1.543 1.00 4.45 N ATOM 0 H GLN A 3 8.541 5.787 -3.619 1.00 1.94 H new ATOM 0 HA GLN A 3 8.338 7.187 -1.063 1.00 1.65 H new ATOM 0 HB2 GLN A 3 6.301 5.850 -2.870 1.00 2.43 H new ATOM 0 HB3 GLN A 3 5.917 6.724 -1.401 1.00 2.43 H new ATOM 0 HG2 GLN A 3 7.217 7.888 -3.888 1.00 3.29 H new ATOM 0 HG3 GLN A 3 5.554 8.120 -3.386 1.00 3.29 H new ATOM 0 HE21 GLN A 3 5.053 9.482 -1.616 1.00 4.45 H new ATOM 0 HE22 GLN A 3 6.238 10.625 -0.973 1.00 4.45 H new ATOM 38 N VAL A 4 7.912 5.293 0.500 1.00 0.52 N ATOM 39 CA VAL A 4 7.872 4.178 1.428 1.00 1.23 C ATOM 40 C VAL A 4 6.434 3.820 1.751 1.00 1.08 C ATOM 41 O VAL A 4 6.064 3.662 2.914 1.00 1.66 O ATOM 42 CB VAL A 4 8.620 4.490 2.741 1.00 2.03 C ATOM 43 CG1 VAL A 4 9.082 3.205 3.408 1.00 3.08 C ATOM 44 CG2 VAL A 4 9.796 5.424 2.493 1.00 2.57 C ATOM 0 H VAL A 4 7.907 6.212 0.942 1.00 0.52 H new ATOM 0 HA VAL A 4 8.370 3.339 0.943 1.00 1.23 H new ATOM 0 HB VAL A 4 7.928 4.998 3.413 1.00 2.03 H new ATOM 0 HG11 VAL A 4 9.608 3.444 4.333 1.00 3.08 H new ATOM 0 HG12 VAL A 4 8.217 2.581 3.633 1.00 3.08 H new ATOM 0 HG13 VAL A 4 9.753 2.668 2.738 1.00 3.08 H new ATOM 0 HG21 VAL A 4 10.305 5.627 3.435 1.00 2.57 H new ATOM 0 HG22 VAL A 4 10.493 4.955 1.798 1.00 2.57 H new ATOM 0 HG23 VAL A 4 9.434 6.360 2.068 1.00 2.57 H new ATOM 54 N PHE A 5 5.620 3.697 0.708 1.00 0.41 N ATOM 55 CA PHE A 5 4.217 3.356 0.874 1.00 0.40 C ATOM 56 C PHE A 5 3.484 3.389 -0.466 1.00 0.40 C ATOM 57 O PHE A 5 3.783 4.217 -1.325 1.00 0.65 O ATOM 58 CB PHE A 5 3.560 4.340 1.841 1.00 0.52 C ATOM 59 CG PHE A 5 4.048 5.755 1.686 1.00 0.85 C ATOM 60 CD1 PHE A 5 4.808 6.424 0.738 1.00 1.61 C ATOM 61 CD2 PHE A 5 4.666 5.318 2.845 1.00 1.24 C ATOM 62 CE1 PHE A 5 6.156 6.650 0.944 1.00 2.16 C ATOM 63 CE2 PHE A 5 6.013 5.542 3.057 1.00 1.82 C ATOM 64 CZ PHE A 5 4.959 8.366 1.396 1.00 1.82 C ATOM 0 H PHE A 5 5.911 3.829 -0.261 1.00 0.41 H new ATOM 0 HA PHE A 5 4.155 2.345 1.277 1.00 0.40 H new ATOM 0 HB2 PHE A 5 2.481 4.318 1.690 1.00 0.52 H new ATOM 0 HB3 PHE A 5 3.746 4.011 2.863 1.00 0.52 H new ATOM 0 HD1 PHE A 5 4.341 6.772 -0.171 1.00 1.61 H new ATOM 0 HD2 PHE A 5 4.088 4.795 3.593 1.00 1.24 H new ATOM 0 HE1 PHE A 5 7.152 6.236 0.904 1.00 2.16 H new ATOM 0 HE2 PHE A 5 6.892 5.090 3.493 1.00 1.82 H new ATOM 0 HZ PHE A 5 4.456 9.309 1.238 1.00 1.82 H new ATOM 74 N GLU A 6 2.527 2.485 -0.638 1.00 0.26 N ATOM 75 CA GLU A 6 1.744 2.420 -1.869 1.00 0.29 C ATOM 76 C GLU A 6 0.252 2.355 -1.570 1.00 0.27 C ATOM 77 O GLU A 6 -0.162 1.828 -0.542 1.00 0.32 O ATOM 78 CB GLU A 6 2.162 1.217 -2.706 1.00 0.35 C ATOM 79 CG GLU A 6 3.278 1.540 -3.675 1.00 1.04 C ATOM 80 CD GLU A 6 4.440 2.247 -3.008 1.00 1.84 C ATOM 81 OE1 GLU A 6 5.047 1.654 -2.091 1.00 2.41 O ATOM 82 OE2 GLU A 6 4.742 3.394 -3.399 1.00 2.36 O ATOM 0 H GLU A 6 2.273 1.785 0.060 1.00 0.26 H new ATOM 0 HA GLU A 6 1.940 3.330 -2.436 1.00 0.29 H new ATOM 0 HB2 GLU A 6 2.483 0.413 -2.044 1.00 0.35 H new ATOM 0 HB3 GLU A 6 1.299 0.848 -3.261 1.00 0.35 H new ATOM 0 HG2 GLU A 6 3.634 0.618 -4.135 1.00 1.04 H new ATOM 0 HG3 GLU A 6 2.888 2.166 -4.477 1.00 1.04 H new ATOM 89 N TYR A 7 -0.555 2.882 -2.482 1.00 0.26 N ATOM 90 CA TYR A 7 -1.989 2.898 -2.293 1.00 0.26 C ATOM 91 C TYR A 7 -2.677 1.688 -2.903 1.00 0.24 C ATOM 92 O TYR A 7 -2.701 1.509 -4.121 1.00 0.32 O ATOM 93 CB TYR A 7 -2.566 4.186 -2.866 1.00 0.31 C ATOM 94 CG TYR A 7 -2.257 4.397 -4.331 1.00 0.41 C ATOM 95 CD1 TYR A 7 -3.099 3.898 -5.317 1.00 1.40 C ATOM 96 CD2 TYR A 7 -1.124 5.096 -4.729 1.00 1.25 C ATOM 97 CE1 TYR A 7 -2.820 4.089 -6.658 1.00 1.70 C ATOM 98 CE2 TYR A 7 -0.838 5.291 -6.066 1.00 1.45 C ATOM 99 CZ TYR A 7 -1.689 4.786 -7.026 1.00 1.28 C ATOM 100 OH TYR A 7 -1.407 4.979 -8.359 1.00 1.73 O ATOM 0 H TYR A 7 -0.237 3.301 -3.356 1.00 0.26 H new ATOM 0 HA TYR A 7 -2.178 2.853 -1.220 1.00 0.26 H new ATOM 0 HB2 TYR A 7 -3.647 4.180 -2.730 1.00 0.31 H new ATOM 0 HB3 TYR A 7 -2.178 5.031 -2.297 1.00 0.31 H new ATOM 0 HD1 TYR A 7 -3.986 3.352 -5.032 1.00 1.40 H new ATOM 0 HD2 TYR A 7 -0.455 5.494 -3.980 1.00 1.25 H new ATOM 0 HE1 TYR A 7 -3.484 3.694 -7.413 1.00 1.70 H new ATOM 0 HE2 TYR A 7 0.047 5.836 -6.358 1.00 1.45 H new ATOM 0 HH TYR A 7 -0.575 5.490 -8.447 1.00 1.73 H new ATOM 110 N ALA A 8 -3.239 0.862 -2.027 1.00 0.23 N ATOM 111 CA ALA A 8 -3.965 -0.326 -2.447 1.00 0.26 C ATOM 112 C ALA A 8 -5.454 -0.045 -2.399 1.00 0.28 C ATOM 113 O ALA A 8 -6.217 -0.773 -1.764 1.00 0.38 O ATOM 114 CB ALA A 8 -3.612 -1.511 -1.557 1.00 0.35 C ATOM 0 H ALA A 8 -3.204 0.997 -1.017 1.00 0.23 H new ATOM 0 HA ALA A 8 -3.681 -0.579 -3.468 1.00 0.26 H new ATOM 0 HB1 ALA A 8 -4.165 -2.391 -1.886 1.00 0.35 H new ATOM 0 HB2 ALA A 8 -2.542 -1.709 -1.622 1.00 0.35 H new ATOM 0 HB3 ALA A 8 -3.876 -1.282 -0.525 1.00 0.35 H new ATOM 120 N GLU A 9 -5.863 1.022 -3.078 1.00 0.25 N ATOM 121 CA GLU A 9 -7.253 1.420 -3.093 1.00 0.32 C ATOM 122 C GLU A 9 -7.847 1.348 -4.473 1.00 0.33 C ATOM 123 O GLU A 9 -7.146 1.264 -5.481 1.00 0.44 O ATOM 124 CB GLU A 9 -7.382 2.815 -2.479 1.00 0.41 C ATOM 125 CG GLU A 9 -7.471 3.971 -3.465 1.00 0.36 C ATOM 126 CD GLU A 9 -6.225 4.121 -4.315 1.00 2.29 C ATOM 127 OE1 GLU A 9 -6.146 3.466 -5.375 1.00 2.80 O ATOM 128 OE2 GLU A 9 -5.328 4.894 -3.921 1.00 2.65 O ATOM 0 H GLU A 9 -5.245 1.623 -3.624 1.00 0.25 H new ATOM 0 HA GLU A 9 -7.828 0.718 -2.490 1.00 0.32 H new ATOM 0 HB2 GLU A 9 -8.271 2.832 -1.848 1.00 0.41 H new ATOM 0 HB3 GLU A 9 -6.525 2.984 -1.827 1.00 0.41 H new ATOM 0 HG2 GLU A 9 -8.332 3.821 -4.116 1.00 0.36 H new ATOM 0 HG3 GLU A 9 -7.644 4.897 -2.916 1.00 0.36 H new ATOM 135 N VAL A 10 -9.161 1.381 -4.492 1.00 0.24 N ATOM 136 CA VAL A 10 -9.887 1.288 -5.717 1.00 0.27 C ATOM 137 C VAL A 10 -10.318 2.654 -6.233 1.00 0.27 C ATOM 138 O VAL A 10 -10.544 2.827 -7.430 1.00 0.35 O ATOM 139 CB VAL A 10 -11.076 0.343 -5.543 1.00 0.31 C ATOM 140 CG1 VAL A 10 -11.800 0.118 -6.859 1.00 0.42 C ATOM 141 CG2 VAL A 10 -10.593 -0.974 -4.948 1.00 0.31 C ATOM 0 H VAL A 10 -9.743 1.473 -3.660 1.00 0.24 H new ATOM 0 HA VAL A 10 -9.224 0.875 -6.477 1.00 0.27 H new ATOM 0 HB VAL A 10 -11.792 0.800 -4.860 1.00 0.31 H new ATOM 0 HG11 VAL A 10 -12.640 -0.558 -6.701 1.00 0.42 H new ATOM 0 HG12 VAL A 10 -12.168 1.071 -7.239 1.00 0.42 H new ATOM 0 HG13 VAL A 10 -11.112 -0.320 -7.582 1.00 0.42 H new ATOM 0 HG21 VAL A 10 -11.440 -1.649 -4.823 1.00 0.31 H new ATOM 0 HG22 VAL A 10 -9.862 -1.429 -5.616 1.00 0.31 H new ATOM 0 HG23 VAL A 10 -10.132 -0.788 -3.978 1.00 0.31 H new ATOM 151 N ASP A 11 -10.391 3.633 -5.341 1.00 0.23 N ATOM 152 CA ASP A 11 -10.784 4.982 -5.736 1.00 0.26 C ATOM 153 C ASP A 11 -10.143 6.056 -4.857 1.00 0.24 C ATOM 154 O ASP A 11 -9.712 7.096 -5.356 1.00 0.28 O ATOM 155 CB ASP A 11 -12.306 5.126 -5.675 1.00 0.31 C ATOM 156 CG ASP A 11 -12.781 6.464 -6.209 1.00 1.76 C ATOM 157 OD1 ASP A 11 -12.724 7.458 -5.457 1.00 2.09 O ATOM 158 OD2 ASP A 11 -13.213 6.515 -7.381 1.00 2.19 O ATOM 0 H ASP A 11 -10.186 3.522 -4.348 1.00 0.23 H new ATOM 0 HA ASP A 11 -10.431 5.129 -6.757 1.00 0.26 H new ATOM 0 HB2 ASP A 11 -12.768 4.323 -6.250 1.00 0.31 H new ATOM 0 HB3 ASP A 11 -12.638 5.011 -4.643 1.00 0.31 H new ATOM 163 N GLU A 12 -10.078 5.803 -3.554 1.00 0.21 N ATOM 164 CA GLU A 12 -9.528 6.794 -2.617 1.00 0.23 C ATOM 165 C GLU A 12 -8.968 6.140 -1.361 1.00 0.23 C ATOM 166 O GLU A 12 -9.275 4.999 -1.070 1.00 0.29 O ATOM 167 CB GLU A 12 -10.611 7.802 -2.229 1.00 0.26 C ATOM 168 CG GLU A 12 -10.897 8.833 -3.307 1.00 0.31 C ATOM 169 CD GLU A 12 -9.721 9.757 -3.556 1.00 1.19 C ATOM 170 OE1 GLU A 12 -8.795 9.354 -4.291 1.00 2.18 O ATOM 171 OE2 GLU A 12 -9.727 10.884 -3.017 1.00 1.09 O ATOM 0 H GLU A 12 -10.393 4.935 -3.121 1.00 0.21 H new ATOM 0 HA GLU A 12 -8.708 7.304 -3.123 1.00 0.23 H new ATOM 0 HB2 GLU A 12 -11.531 7.264 -2.000 1.00 0.26 H new ATOM 0 HB3 GLU A 12 -10.307 8.317 -1.318 1.00 0.26 H new ATOM 0 HG2 GLU A 12 -11.155 8.322 -4.234 1.00 0.31 H new ATOM 0 HG3 GLU A 12 -11.765 9.425 -3.017 1.00 0.31 H new ATOM 178 N ILE A 13 -8.152 6.873 -0.609 1.00 0.22 N ATOM 179 CA ILE A 13 -7.575 6.342 0.624 1.00 0.22 C ATOM 180 C ILE A 13 -7.630 7.391 1.740 1.00 0.27 C ATOM 181 O ILE A 13 -8.277 8.429 1.593 1.00 0.34 O ATOM 182 CB ILE A 13 -6.108 5.884 0.414 1.00 0.20 C ATOM 183 CG1 ILE A 13 -5.176 7.086 0.254 1.00 0.28 C ATOM 184 CG2 ILE A 13 -6.029 5.013 -0.816 1.00 0.20 C ATOM 185 CD1 ILE A 13 -5.468 7.897 -0.988 1.00 0.34 C ATOM 0 H ILE A 13 -7.876 7.830 -0.829 1.00 0.22 H new ATOM 0 HA ILE A 13 -8.169 5.475 0.913 1.00 0.22 H new ATOM 0 HB ILE A 13 -5.790 5.320 1.291 1.00 0.20 H new ATOM 0 HG12 ILE A 13 -5.266 7.728 1.130 1.00 0.28 H new ATOM 0 HG13 ILE A 13 -4.144 6.737 0.219 1.00 0.28 H new ATOM 0 HG21 ILE A 13 -4.999 4.689 -0.967 1.00 0.20 H new ATOM 0 HG22 ILE A 13 -6.669 4.140 -0.685 1.00 0.20 H new ATOM 0 HG23 ILE A 13 -6.362 5.580 -1.685 1.00 0.20 H new ATOM 0 HD11 ILE A 13 -4.774 8.736 -1.046 1.00 0.34 H new ATOM 0 HD12 ILE A 13 -5.351 7.267 -1.870 1.00 0.34 H new ATOM 0 HD13 ILE A 13 -6.490 8.274 -0.945 1.00 0.34 H new ATOM 197 N VAL A 14 -6.950 7.117 2.847 1.00 0.25 N ATOM 198 CA VAL A 14 -6.913 8.041 3.976 1.00 0.30 C ATOM 199 C VAL A 14 -5.599 7.901 4.727 1.00 0.27 C ATOM 200 O VAL A 14 -4.839 8.859 4.862 1.00 0.30 O ATOM 201 CB VAL A 14 -8.087 7.809 4.949 1.00 0.35 C ATOM 202 CG1 VAL A 14 -7.986 8.739 6.151 1.00 0.61 C ATOM 203 CG2 VAL A 14 -9.416 8.002 4.236 1.00 0.67 C ATOM 0 H VAL A 14 -6.415 6.260 2.988 1.00 0.25 H new ATOM 0 HA VAL A 14 -7.003 9.049 3.571 1.00 0.30 H new ATOM 0 HB VAL A 14 -8.033 6.781 5.308 1.00 0.35 H new ATOM 0 HG11 VAL A 14 -8.825 8.557 6.823 1.00 0.61 H new ATOM 0 HG12 VAL A 14 -7.051 8.551 6.679 1.00 0.61 H new ATOM 0 HG13 VAL A 14 -8.010 9.775 5.813 1.00 0.61 H new ATOM 0 HG21 VAL A 14 -10.233 7.834 4.938 1.00 0.67 H new ATOM 0 HG22 VAL A 14 -9.475 9.018 3.846 1.00 0.67 H new ATOM 0 HG23 VAL A 14 -9.494 7.292 3.413 1.00 0.67 H new ATOM 213 N GLU A 15 -5.340 6.698 5.218 1.00 0.28 N ATOM 214 CA GLU A 15 -4.107 6.424 5.943 1.00 0.27 C ATOM 215 C GLU A 15 -3.040 5.918 4.979 1.00 0.26 C ATOM 216 O GLU A 15 -3.332 5.139 4.084 1.00 0.48 O ATOM 217 CB GLU A 15 -4.352 5.399 7.051 1.00 0.32 C ATOM 218 CG GLU A 15 -5.378 5.851 8.077 1.00 1.30 C ATOM 219 CD GLU A 15 -5.009 7.171 8.726 1.00 1.98 C ATOM 220 OE1 GLU A 15 -4.250 7.155 9.718 1.00 2.07 O ATOM 221 OE2 GLU A 15 -5.481 8.222 8.242 1.00 2.96 O ATOM 0 H GLU A 15 -5.965 5.897 5.128 1.00 0.28 H new ATOM 0 HA GLU A 15 -3.759 7.348 6.404 1.00 0.27 H new ATOM 0 HB2 GLU A 15 -4.686 4.463 6.602 1.00 0.32 H new ATOM 0 HB3 GLU A 15 -3.410 5.191 7.558 1.00 0.32 H new ATOM 0 HG2 GLU A 15 -6.351 5.946 7.595 1.00 1.30 H new ATOM 0 HG3 GLU A 15 -5.478 5.086 8.847 1.00 1.30 H new ATOM 228 N LYS A 16 -1.810 6.380 5.149 1.00 0.20 N ATOM 229 CA LYS A 16 -0.721 5.961 4.271 1.00 0.23 C ATOM 230 C LYS A 16 0.634 5.995 4.993 1.00 0.25 C ATOM 231 O LYS A 16 1.297 7.032 5.026 1.00 0.35 O ATOM 232 CB LYS A 16 -0.667 6.878 3.048 1.00 0.32 C ATOM 233 CG LYS A 16 -0.691 8.359 3.394 1.00 0.41 C ATOM 234 CD LYS A 16 -0.591 9.226 2.148 1.00 0.50 C ATOM 235 CE LYS A 16 -1.819 9.078 1.265 1.00 1.43 C ATOM 236 NZ LYS A 16 -3.042 9.616 1.922 1.00 2.13 N ATOM 0 H LYS A 16 -1.540 7.039 5.879 1.00 0.20 H new ATOM 0 HA LYS A 16 -0.915 4.933 3.964 1.00 0.23 H new ATOM 0 HB2 LYS A 16 0.238 6.661 2.481 1.00 0.32 H new ATOM 0 HB3 LYS A 16 -1.512 6.652 2.398 1.00 0.32 H new ATOM 0 HG2 LYS A 16 -1.612 8.594 3.928 1.00 0.41 H new ATOM 0 HG3 LYS A 16 0.136 8.590 4.066 1.00 0.41 H new ATOM 0 HD2 LYS A 16 -0.475 10.270 2.439 1.00 0.50 H new ATOM 0 HD3 LYS A 16 0.300 8.951 1.583 1.00 0.50 H new ATOM 0 HE2 LYS A 16 -1.654 9.600 0.322 1.00 1.43 H new ATOM 0 HE3 LYS A 16 -1.969 8.025 1.025 1.00 1.43 H new ATOM 0 HZ1 LYS A 16 -3.804 9.701 1.220 1.00 2.13 H new ATOM 0 HZ2 LYS A 16 -3.341 8.971 2.681 1.00 2.13 H new ATOM 0 HZ3 LYS A 16 -2.836 10.553 2.325 1.00 2.13 H new ATOM 250 N ARG A 17 1.044 4.870 5.570 1.00 0.22 N ATOM 251 CA ARG A 17 2.317 4.807 6.297 1.00 0.31 C ATOM 252 C ARG A 17 2.865 3.385 6.315 1.00 0.30 C ATOM 253 O ARG A 17 2.542 2.612 7.217 1.00 0.33 O ATOM 254 CB ARG A 17 2.125 5.312 7.728 1.00 0.41 C ATOM 255 CG ARG A 17 3.398 5.317 8.557 1.00 1.20 C ATOM 256 CD ARG A 17 3.137 5.838 9.962 1.00 1.68 C ATOM 257 NE ARG A 17 4.349 5.855 10.776 1.00 2.30 N ATOM 258 CZ ARG A 17 4.395 6.340 12.013 1.00 3.07 C ATOM 259 NH1 ARG A 17 3.302 6.840 12.573 1.00 3.46 N ATOM 260 NH2 ARG A 17 5.534 6.322 12.691 1.00 3.83 N ATOM 0 H ARG A 17 0.522 3.994 5.552 1.00 0.22 H new ATOM 0 HA ARG A 17 3.037 5.444 5.783 1.00 0.31 H new ATOM 0 HB2 ARG A 17 1.722 6.324 7.694 1.00 0.41 H new ATOM 0 HB3 ARG A 17 1.382 4.689 8.226 1.00 0.41 H new ATOM 0 HG2 ARG A 17 3.804 4.307 8.610 1.00 1.20 H new ATOM 0 HG3 ARG A 17 4.150 5.938 8.070 1.00 1.20 H new ATOM 0 HD2 ARG A 17 2.726 6.846 9.904 1.00 1.68 H new ATOM 0 HD3 ARG A 17 2.385 5.214 10.445 1.00 1.68 H new ATOM 0 HE ARG A 17 5.206 5.475 10.374 1.00 2.30 H new ATOM 0 HH11 ARG A 17 2.424 6.853 12.055 1.00 3.46 H new ATOM 0 HH12 ARG A 17 3.340 7.212 13.522 1.00 3.46 H new ATOM 0 HH21 ARG A 17 6.376 5.936 12.264 1.00 3.83 H new ATOM 0 HH22 ARG A 17 5.569 6.694 13.640 1.00 3.83 H new ATOM 274 N GLY A 18 3.689 3.024 5.333 1.00 0.29 N ATOM 275 CA GLY A 18 4.194 1.668 5.305 1.00 0.28 C ATOM 276 C GLY A 18 5.530 1.495 4.619 1.00 0.32 C ATOM 277 O GLY A 18 6.474 2.252 4.847 1.00 0.41 O ATOM 0 H GLY A 18 4.007 3.630 4.577 1.00 0.29 H new ATOM 0 HA2 GLY A 18 4.280 1.308 6.330 1.00 0.28 H new ATOM 0 HA3 GLY A 18 3.462 1.034 4.805 1.00 0.28 H new ATOM 281 N LYS A 19 5.582 0.469 3.775 1.00 0.30 N ATOM 282 CA LYS A 19 6.765 0.109 3.031 1.00 0.36 C ATOM 283 C LYS A 19 6.488 0.248 1.529 1.00 0.45 C ATOM 284 O LYS A 19 6.048 1.292 1.076 1.00 0.76 O ATOM 285 CB LYS A 19 7.101 -1.324 3.409 1.00 0.29 C ATOM 286 CG LYS A 19 7.484 -1.499 4.860 1.00 0.37 C ATOM 287 CD LYS A 19 7.842 -2.939 5.128 1.00 0.33 C ATOM 288 CE LYS A 19 8.179 -3.172 6.593 1.00 0.51 C ATOM 289 NZ LYS A 19 9.420 -2.459 7.001 1.00 1.13 N ATOM 0 H LYS A 19 4.785 -0.140 3.592 1.00 0.30 H new ATOM 0 HA LYS A 19 7.607 0.761 3.263 1.00 0.36 H new ATOM 0 HB2 LYS A 19 6.242 -1.958 3.191 1.00 0.29 H new ATOM 0 HB3 LYS A 19 7.922 -1.672 2.782 1.00 0.29 H new ATOM 0 HG2 LYS A 19 8.329 -0.854 5.102 1.00 0.37 H new ATOM 0 HG3 LYS A 19 6.657 -1.195 5.502 1.00 0.37 H new ATOM 0 HD2 LYS A 19 7.009 -3.581 4.840 1.00 0.33 H new ATOM 0 HD3 LYS A 19 8.693 -3.224 4.509 1.00 0.33 H new ATOM 0 HE2 LYS A 19 7.348 -2.837 7.214 1.00 0.51 H new ATOM 0 HE3 LYS A 19 8.300 -4.240 6.772 1.00 0.51 H new ATOM 0 HZ1 LYS A 19 9.688 -2.751 7.963 1.00 1.13 H new ATOM 0 HZ2 LYS A 19 10.189 -2.694 6.341 1.00 1.13 H new ATOM 0 HZ3 LYS A 19 9.252 -1.433 6.985 1.00 1.13 H new ATOM 303 N GLY A 20 6.726 -0.799 0.756 1.00 0.47 N ATOM 304 CA GLY A 20 6.450 -0.752 -0.650 1.00 0.51 C ATOM 305 C GLY A 20 5.039 -1.195 -0.873 1.00 0.42 C ATOM 306 O GLY A 20 4.316 -0.673 -1.718 1.00 0.48 O ATOM 0 H GLY A 20 7.109 -1.684 1.088 1.00 0.47 H new ATOM 0 HA2 GLY A 20 6.594 0.259 -1.030 1.00 0.51 H new ATOM 0 HA3 GLY A 20 7.140 -1.398 -1.193 1.00 0.51 H new ATOM 310 N LYS A 21 4.677 -2.193 -0.089 1.00 0.33 N ATOM 311 CA LYS A 21 3.344 -2.755 -0.102 1.00 0.33 C ATOM 312 C LYS A 21 2.871 -3.093 1.325 1.00 0.27 C ATOM 313 O LYS A 21 1.758 -3.578 1.503 1.00 0.32 O ATOM 314 CB LYS A 21 3.334 -4.015 -0.965 1.00 0.46 C ATOM 315 CG LYS A 21 4.060 -3.849 -2.289 1.00 0.88 C ATOM 316 CD LYS A 21 3.270 -2.988 -3.260 1.00 1.58 C ATOM 317 CE LYS A 21 4.103 -2.623 -4.476 1.00 2.52 C ATOM 318 NZ LYS A 21 4.903 -3.782 -4.966 1.00 3.41 N ATOM 0 H LYS A 21 5.306 -2.638 0.579 1.00 0.33 H new ATOM 0 HA LYS A 21 2.659 -2.016 -0.519 1.00 0.33 H new ATOM 0 HB2 LYS A 21 3.794 -4.831 -0.408 1.00 0.46 H new ATOM 0 HB3 LYS A 21 2.301 -4.304 -1.160 1.00 0.46 H new ATOM 0 HG2 LYS A 21 5.037 -3.398 -2.114 1.00 0.88 H new ATOM 0 HG3 LYS A 21 4.237 -4.829 -2.732 1.00 0.88 H new ATOM 0 HD2 LYS A 21 2.374 -3.522 -3.577 1.00 1.58 H new ATOM 0 HD3 LYS A 21 2.939 -2.079 -2.757 1.00 1.58 H new ATOM 0 HE2 LYS A 21 3.448 -2.270 -5.273 1.00 2.52 H new ATOM 0 HE3 LYS A 21 4.772 -1.800 -4.225 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 5.024 -3.709 -5.996 1.00 3.41 H new ATOM 0 HZ2 LYS A 21 5.836 -3.779 -4.506 1.00 3.41 H new ATOM 0 HZ3 LYS A 21 4.407 -4.667 -4.737 1.00 3.41 H new ATOM 332 N ASP A 22 3.697 -2.786 2.345 1.00 0.21 N ATOM 333 CA ASP A 22 3.361 -3.084 3.731 1.00 0.23 C ATOM 334 C ASP A 22 2.580 -1.957 4.365 1.00 0.21 C ATOM 335 O ASP A 22 2.388 -1.919 5.578 1.00 0.26 O ATOM 336 CB ASP A 22 4.625 -3.298 4.553 1.00 0.26 C ATOM 337 CG ASP A 22 4.344 -3.819 5.951 1.00 0.34 C ATOM 338 OD1 ASP A 22 4.119 -2.994 6.858 1.00 0.94 O ATOM 339 OD2 ASP A 22 4.338 -5.054 6.135 1.00 1.22 O ATOM 0 H ASP A 22 4.602 -2.331 2.223 1.00 0.21 H new ATOM 0 HA ASP A 22 2.754 -3.989 3.722 1.00 0.23 H new ATOM 0 HB2 ASP A 22 5.275 -4.002 4.033 1.00 0.26 H new ATOM 0 HB3 ASP A 22 5.168 -2.356 4.625 1.00 0.26 H new ATOM 344 N VAL A 23 2.141 -1.038 3.546 1.00 0.17 N ATOM 345 CA VAL A 23 1.400 0.098 4.018 1.00 0.18 C ATOM 346 C VAL A 23 -0.092 -0.174 4.075 1.00 0.16 C ATOM 347 O VAL A 23 -0.620 -0.987 3.320 1.00 0.18 O ATOM 348 CB VAL A 23 1.675 1.303 3.118 1.00 0.20 C ATOM 349 CG1 VAL A 23 0.953 1.173 1.785 1.00 0.34 C ATOM 350 CG2 VAL A 23 1.280 2.579 3.815 1.00 0.23 C ATOM 0 H VAL A 23 2.287 -1.057 2.537 1.00 0.17 H new ATOM 0 HA VAL A 23 1.732 0.308 5.035 1.00 0.18 H new ATOM 0 HB VAL A 23 2.745 1.334 2.913 1.00 0.20 H new ATOM 0 HG11 VAL A 23 1.169 2.045 1.168 1.00 0.34 H new ATOM 0 HG12 VAL A 23 1.294 0.273 1.273 1.00 0.34 H new ATOM 0 HG13 VAL A 23 -0.121 1.108 1.958 1.00 0.34 H new ATOM 0 HG21 VAL A 23 1.482 3.428 3.162 1.00 0.23 H new ATOM 0 HG22 VAL A 23 0.217 2.549 4.053 1.00 0.23 H new ATOM 0 HG23 VAL A 23 1.855 2.684 4.735 1.00 0.23 H new ATOM 360 N GLU A 24 -0.763 0.547 4.950 1.00 0.18 N ATOM 361 CA GLU A 24 -2.196 0.397 5.109 1.00 0.22 C ATOM 362 C GLU A 24 -2.916 1.601 4.521 1.00 0.24 C ATOM 363 O GLU A 24 -2.914 2.686 5.101 1.00 0.48 O ATOM 364 CB GLU A 24 -2.572 0.237 6.579 1.00 0.34 C ATOM 365 CG GLU A 24 -1.938 1.276 7.487 1.00 0.45 C ATOM 366 CD GLU A 24 -2.346 1.109 8.938 1.00 0.86 C ATOM 367 OE1 GLU A 24 -1.712 0.295 9.642 1.00 1.26 O ATOM 368 OE2 GLU A 24 -3.300 1.790 9.369 1.00 1.22 O ATOM 0 H GLU A 24 -0.339 1.244 5.563 1.00 0.18 H new ATOM 0 HA GLU A 24 -2.502 -0.503 4.577 1.00 0.22 H new ATOM 0 HB2 GLU A 24 -3.656 0.295 6.676 1.00 0.34 H new ATOM 0 HB3 GLU A 24 -2.275 -0.756 6.915 1.00 0.34 H new ATOM 0 HG2 GLU A 24 -0.853 1.208 7.408 1.00 0.45 H new ATOM 0 HG3 GLU A 24 -2.221 2.272 7.146 1.00 0.45 H new ATOM 375 N TYR A 25 -3.526 1.398 3.368 1.00 0.18 N ATOM 376 CA TYR A 25 -4.247 2.454 2.687 1.00 0.22 C ATOM 377 C TYR A 25 -5.743 2.176 2.723 1.00 0.30 C ATOM 378 O TYR A 25 -6.162 1.026 2.751 1.00 0.65 O ATOM 379 CB TYR A 25 -3.778 2.563 1.238 1.00 0.23 C ATOM 380 CG TYR A 25 -2.623 3.524 1.036 1.00 0.21 C ATOM 381 CD1 TYR A 25 -1.381 3.284 1.603 1.00 0.34 C ATOM 382 CD2 TYR A 25 -2.776 4.668 0.262 1.00 0.27 C ATOM 383 CE1 TYR A 25 -0.327 4.155 1.404 1.00 0.38 C ATOM 384 CE2 TYR A 25 -1.728 5.540 0.055 1.00 0.25 C ATOM 385 CZ TYR A 25 -0.506 5.280 0.628 1.00 0.25 C ATOM 386 OH TYR A 25 0.544 6.145 0.421 1.00 0.30 O ATOM 0 H TYR A 25 -3.535 0.502 2.881 1.00 0.18 H new ATOM 0 HA TYR A 25 -4.047 3.396 3.197 1.00 0.22 H new ATOM 0 HB2 TYR A 25 -3.481 1.575 0.887 1.00 0.23 H new ATOM 0 HB3 TYR A 25 -4.616 2.882 0.618 1.00 0.23 H new ATOM 0 HD1 TYR A 25 -1.235 2.403 2.210 1.00 0.34 H new ATOM 0 HD2 TYR A 25 -3.736 4.878 -0.187 1.00 0.27 H new ATOM 0 HE1 TYR A 25 0.634 3.955 1.855 1.00 0.38 H new ATOM 0 HE2 TYR A 25 -1.866 6.422 -0.553 1.00 0.25 H new ATOM 0 HH TYR A 25 0.250 6.886 -0.149 1.00 0.30 H new ATOM 396 N LEU A 26 -6.542 3.227 2.707 1.00 0.19 N ATOM 397 CA LEU A 26 -7.984 3.089 2.728 1.00 0.19 C ATOM 398 C LEU A 26 -8.489 2.976 1.311 1.00 0.17 C ATOM 399 O LEU A 26 -7.814 3.399 0.376 1.00 0.17 O ATOM 400 CB LEU A 26 -8.625 4.295 3.421 1.00 0.20 C ATOM 401 CG LEU A 26 -10.123 4.468 3.163 1.00 0.29 C ATOM 402 CD1 LEU A 26 -10.815 5.082 4.368 1.00 0.88 C ATOM 403 CD2 LEU A 26 -10.368 5.302 1.914 1.00 0.96 C ATOM 0 H LEU A 26 -6.212 4.192 2.679 1.00 0.19 H new ATOM 0 HA LEU A 26 -8.253 2.191 3.285 1.00 0.19 H new ATOM 0 HB2 LEU A 26 -8.465 4.205 4.495 1.00 0.20 H new ATOM 0 HB3 LEU A 26 -8.109 5.198 3.096 1.00 0.20 H new ATOM 0 HG LEU A 26 -10.550 3.479 2.997 1.00 0.29 H new ATOM 0 HD11 LEU A 26 -11.879 5.194 4.159 1.00 0.88 H new ATOM 0 HD12 LEU A 26 -10.682 4.433 5.234 1.00 0.88 H new ATOM 0 HD13 LEU A 26 -10.381 6.060 4.578 1.00 0.88 H new ATOM 0 HD21 LEU A 26 -11.441 5.410 1.753 1.00 0.96 H new ATOM 0 HD22 LEU A 26 -9.919 6.287 2.041 1.00 0.96 H new ATOM 0 HD23 LEU A 26 -9.920 4.807 1.052 1.00 0.96 H new ATOM 415 N VAL A 27 -9.663 2.398 1.136 1.00 0.18 N ATOM 416 CA VAL A 27 -10.184 2.267 -0.202 1.00 0.18 C ATOM 417 C VAL A 27 -11.684 2.450 -0.311 1.00 0.18 C ATOM 418 O VAL A 27 -12.473 1.636 0.167 1.00 0.22 O ATOM 419 CB VAL A 27 -9.716 0.958 -0.897 1.00 0.24 C ATOM 420 CG1 VAL A 27 -8.619 0.260 -0.112 1.00 0.40 C ATOM 421 CG2 VAL A 27 -10.846 -0.024 -1.221 1.00 0.36 C ATOM 0 H VAL A 27 -10.253 2.025 1.879 1.00 0.18 H new ATOM 0 HA VAL A 27 -9.748 3.105 -0.746 1.00 0.18 H new ATOM 0 HB VAL A 27 -9.313 1.287 -1.855 1.00 0.24 H new ATOM 0 HG11 VAL A 27 -8.321 -0.650 -0.633 1.00 0.40 H new ATOM 0 HG12 VAL A 27 -7.759 0.923 -0.020 1.00 0.40 H new ATOM 0 HG13 VAL A 27 -8.988 0.005 0.881 1.00 0.40 H new ATOM 0 HG21 VAL A 27 -10.432 -0.909 -1.704 1.00 0.36 H new ATOM 0 HG22 VAL A 27 -11.350 -0.316 -0.300 1.00 0.36 H new ATOM 0 HG23 VAL A 27 -11.562 0.453 -1.890 1.00 0.36 H new ATOM 431 N ARG A 28 -12.059 3.553 -0.931 1.00 0.16 N ATOM 432 CA ARG A 28 -13.447 3.813 -1.212 1.00 0.18 C ATOM 433 C ARG A 28 -13.751 3.049 -2.465 1.00 0.16 C ATOM 434 O ARG A 28 -13.890 3.624 -3.545 1.00 0.20 O ATOM 435 CB ARG A 28 -13.709 5.297 -1.420 1.00 0.21 C ATOM 436 CG ARG A 28 -15.185 5.658 -1.455 1.00 1.14 C ATOM 437 CD ARG A 28 -15.387 7.157 -1.603 1.00 1.22 C ATOM 438 NE ARG A 28 -14.690 7.688 -2.770 1.00 1.99 N ATOM 439 CZ ARG A 28 -14.477 8.984 -2.975 1.00 2.29 C ATOM 440 NH1 ARG A 28 -14.918 9.876 -2.098 1.00 2.04 N ATOM 441 NH2 ARG A 28 -13.824 9.388 -4.055 1.00 3.27 N ATOM 0 H ARG A 28 -11.417 4.280 -1.247 1.00 0.16 H new ATOM 0 HA ARG A 28 -14.079 3.507 -0.378 1.00 0.18 H new ATOM 0 HB2 ARG A 28 -13.226 5.858 -0.620 1.00 0.21 H new ATOM 0 HB3 ARG A 28 -13.245 5.611 -2.355 1.00 0.21 H new ATOM 0 HG2 ARG A 28 -15.668 5.141 -2.284 1.00 1.14 H new ATOM 0 HG3 ARG A 28 -15.667 5.313 -0.540 1.00 1.14 H new ATOM 0 HD2 ARG A 28 -16.452 7.373 -1.687 1.00 1.22 H new ATOM 0 HD3 ARG A 28 -15.029 7.662 -0.706 1.00 1.22 H new ATOM 0 HE ARG A 28 -14.347 7.028 -3.468 1.00 1.99 H new ATOM 0 HH11 ARG A 28 -15.421 9.568 -1.266 1.00 2.04 H new ATOM 0 HH12 ARG A 28 -14.754 10.870 -2.256 1.00 2.04 H new ATOM 0 HH21 ARG A 28 -13.484 8.704 -4.731 1.00 3.27 H new ATOM 0 HH22 ARG A 28 -13.662 10.383 -4.210 1.00 3.27 H new ATOM 455 N TRP A 29 -13.826 1.734 -2.288 1.00 0.19 N ATOM 456 CA TRP A 29 -14.064 0.783 -3.363 1.00 0.25 C ATOM 457 C TRP A 29 -14.826 1.401 -4.515 1.00 0.25 C ATOM 458 O TRP A 29 -16.052 1.423 -4.523 1.00 0.30 O ATOM 459 CB TRP A 29 -14.844 -0.396 -2.808 1.00 0.34 C ATOM 460 CG TRP A 29 -14.353 -1.720 -3.300 1.00 0.44 C ATOM 461 CD1 TRP A 29 -13.492 -1.941 -4.336 1.00 0.61 C ATOM 462 CD2 TRP A 29 -14.700 -3.009 -2.782 1.00 0.67 C ATOM 463 NE1 TRP A 29 -13.278 -3.290 -4.490 1.00 0.93 N ATOM 464 CE2 TRP A 29 -14.009 -3.966 -3.548 1.00 0.98 C ATOM 465 CE3 TRP A 29 -15.526 -3.445 -1.743 1.00 0.71 C ATOM 466 CZ2 TRP A 29 -14.121 -5.333 -3.307 1.00 1.30 C ATOM 467 CZ3 TRP A 29 -15.635 -4.801 -1.503 1.00 1.02 C ATOM 468 CH2 TRP A 29 -14.936 -5.732 -2.282 1.00 1.31 C ATOM 0 H TRP A 29 -13.721 1.293 -1.374 1.00 0.19 H new ATOM 0 HA TRP A 29 -13.098 0.460 -3.751 1.00 0.25 H new ATOM 0 HB2 TRP A 29 -14.788 -0.378 -1.720 1.00 0.34 H new ATOM 0 HB3 TRP A 29 -15.895 -0.285 -3.075 1.00 0.34 H new ATOM 0 HD1 TRP A 29 -13.045 -1.169 -4.945 1.00 0.61 H new ATOM 0 HE1 TRP A 29 -12.674 -3.718 -5.191 1.00 0.93 H new ATOM 0 HE3 TRP A 29 -16.070 -2.734 -1.138 1.00 0.71 H new ATOM 0 HZ2 TRP A 29 -13.584 -6.053 -3.907 1.00 1.30 H new ATOM 0 HZ3 TRP A 29 -16.270 -5.149 -0.701 1.00 1.02 H new ATOM 0 HH2 TRP A 29 -15.042 -6.786 -2.070 1.00 1.31 H new ATOM 479 N LYS A 30 -14.057 1.963 -5.453 1.00 0.25 N ATOM 480 CA LYS A 30 -14.617 2.598 -6.667 1.00 0.30 C ATOM 481 C LYS A 30 -15.945 1.960 -7.091 1.00 0.36 C ATOM 482 O LYS A 30 -16.847 2.644 -7.574 1.00 0.42 O ATOM 483 CB LYS A 30 -13.628 2.495 -7.827 1.00 0.35 C ATOM 484 CG LYS A 30 -14.076 3.235 -9.077 1.00 0.69 C ATOM 485 CD LYS A 30 -13.050 3.114 -10.192 1.00 1.11 C ATOM 486 CE LYS A 30 -12.812 1.663 -10.576 1.00 1.70 C ATOM 487 NZ LYS A 30 -11.792 1.533 -11.653 1.00 2.46 N ATOM 0 H LYS A 30 -13.039 1.995 -5.401 1.00 0.25 H new ATOM 0 HA LYS A 30 -14.800 3.644 -6.420 1.00 0.30 H new ATOM 0 HB2 LYS A 30 -12.664 2.890 -7.507 1.00 0.35 H new ATOM 0 HB3 LYS A 30 -13.477 1.444 -8.072 1.00 0.35 H new ATOM 0 HG2 LYS A 30 -15.032 2.835 -9.415 1.00 0.69 H new ATOM 0 HG3 LYS A 30 -14.236 4.287 -8.841 1.00 0.69 H new ATOM 0 HD2 LYS A 30 -13.392 3.671 -11.064 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -12.111 3.566 -9.874 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -12.487 1.104 -9.699 1.00 1.70 H new ATOM 0 HE3 LYS A 30 -13.749 1.217 -10.908 1.00 1.70 H new ATOM 0 HZ1 LYS A 30 -11.659 0.528 -11.886 1.00 2.46 H new ATOM 0 HZ2 LYS A 30 -12.114 2.045 -12.499 1.00 2.46 H new ATOM 0 HZ3 LYS A 30 -10.890 1.935 -11.327 1.00 2.46 H new ATOM 501 N ASP A 31 -16.043 0.646 -6.915 1.00 0.39 N ATOM 502 CA ASP A 31 -17.256 -0.091 -7.249 1.00 0.48 C ATOM 503 C ASP A 31 -17.833 -0.734 -5.991 1.00 0.45 C ATOM 504 O ASP A 31 -18.032 -1.948 -5.935 1.00 0.52 O ATOM 505 CB ASP A 31 -16.959 -1.164 -8.298 1.00 0.59 C ATOM 506 CG ASP A 31 -16.441 -0.578 -9.596 1.00 1.31 C ATOM 507 OD1 ASP A 31 -15.232 -0.272 -9.669 1.00 1.92 O ATOM 508 OD2 ASP A 31 -17.244 -0.425 -10.540 1.00 2.02 O ATOM 0 H ASP A 31 -15.291 0.067 -6.540 1.00 0.39 H new ATOM 0 HA ASP A 31 -17.986 0.604 -7.663 1.00 0.48 H new ATOM 0 HB2 ASP A 31 -16.224 -1.863 -7.900 1.00 0.59 H new ATOM 0 HB3 ASP A 31 -17.866 -1.734 -8.497 1.00 0.59 H new ATOM 513 N GLY A 32 -18.099 0.095 -4.986 1.00 0.39 N ATOM 514 CA GLY A 32 -18.628 -0.396 -3.728 1.00 0.40 C ATOM 515 C GLY A 32 -19.600 0.571 -3.085 1.00 0.42 C ATOM 516 O GLY A 32 -20.101 1.489 -3.735 1.00 0.59 O ATOM 0 H GLY A 32 -17.956 1.104 -5.022 1.00 0.39 H new ATOM 0 HA2 GLY A 32 -19.129 -1.349 -3.897 1.00 0.40 H new ATOM 0 HA3 GLY A 32 -17.803 -0.586 -3.041 1.00 0.40 H new ATOM 520 N GLY A 33 -19.864 0.360 -1.801 1.00 0.43 N ATOM 521 CA GLY A 33 -20.773 1.225 -1.073 1.00 0.48 C ATOM 522 C GLY A 33 -20.160 1.741 0.213 1.00 0.46 C ATOM 523 O GLY A 33 -20.287 2.920 0.541 1.00 0.86 O ATOM 0 H GLY A 33 -19.463 -0.398 -1.249 1.00 0.43 H new ATOM 0 HA2 GLY A 33 -21.054 2.068 -1.704 1.00 0.48 H new ATOM 0 HA3 GLY A 33 -21.688 0.679 -0.844 1.00 0.48 H new ATOM 527 N ASP A 34 -19.492 0.852 0.943 1.00 0.45 N ATOM 528 CA ASP A 34 -18.847 1.218 2.197 1.00 0.40 C ATOM 529 C ASP A 34 -17.362 1.486 1.976 1.00 0.38 C ATOM 530 O ASP A 34 -16.886 1.493 0.841 1.00 0.62 O ATOM 531 CB ASP A 34 -19.031 0.106 3.231 1.00 0.55 C ATOM 532 CG ASP A 34 -20.490 -0.205 3.491 1.00 1.31 C ATOM 533 OD1 ASP A 34 -21.116 0.513 4.300 1.00 1.40 O ATOM 534 OD2 ASP A 34 -21.011 -1.167 2.886 1.00 2.13 O ATOM 0 H ASP A 34 -19.384 -0.129 0.685 1.00 0.45 H new ATOM 0 HA ASP A 34 -19.313 2.129 2.571 1.00 0.40 H new ATOM 0 HB2 ASP A 34 -18.526 -0.796 2.884 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -18.553 0.400 4.165 1.00 0.55 H new ATOM 539 N CYS A 35 -16.632 1.703 3.065 1.00 0.40 N ATOM 540 CA CYS A 35 -15.202 1.974 2.978 1.00 0.44 C ATOM 541 C CYS A 35 -14.449 1.320 4.130 1.00 0.39 C ATOM 542 O CYS A 35 -14.950 1.255 5.251 1.00 0.61 O ATOM 543 CB CYS A 35 -14.944 3.482 2.977 1.00 0.72 C ATOM 544 SG CYS A 35 -13.211 3.934 2.734 1.00 1.60 S ATOM 0 H CYS A 35 -17.005 1.697 4.014 1.00 0.40 H new ATOM 0 HA CYS A 35 -14.837 1.549 2.043 1.00 0.44 H new ATOM 0 HB2 CYS A 35 -15.542 3.942 2.190 1.00 0.72 H new ATOM 0 HB3 CYS A 35 -15.288 3.899 3.923 1.00 0.72 H new ATOM 0 HG CYS A 35 -12.972 4.070 1.463 1.00 1.60 H new ATOM 550 N GLU A 36 -13.241 0.842 3.847 1.00 0.32 N ATOM 551 CA GLU A 36 -12.413 0.196 4.862 1.00 0.43 C ATOM 552 C GLU A 36 -10.932 0.449 4.599 1.00 0.34 C ATOM 553 O GLU A 36 -10.570 1.177 3.674 1.00 0.36 O ATOM 554 CB GLU A 36 -12.690 -1.309 4.903 1.00 0.63 C ATOM 555 CG GLU A 36 -14.078 -1.660 5.412 1.00 1.20 C ATOM 556 CD GLU A 36 -14.268 -1.316 6.877 1.00 1.70 C ATOM 557 OE1 GLU A 36 -14.582 -0.146 7.175 1.00 2.27 O ATOM 558 OE2 GLU A 36 -14.105 -2.216 7.727 1.00 2.22 O ATOM 0 H GLU A 36 -12.813 0.890 2.922 1.00 0.32 H new ATOM 0 HA GLU A 36 -12.670 0.628 5.829 1.00 0.43 H new ATOM 0 HB2 GLU A 36 -12.565 -1.720 3.901 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -11.947 -1.789 5.540 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -14.823 -1.130 4.819 1.00 1.20 H new ATOM 0 HG3 GLU A 36 -14.255 -2.726 5.267 1.00 1.20 H new ATOM 565 N TRP A 37 -10.079 -0.158 5.418 1.00 0.40 N ATOM 566 CA TRP A 37 -8.639 0.007 5.285 1.00 0.33 C ATOM 567 C TRP A 37 -7.988 -1.225 4.667 1.00 0.35 C ATOM 568 O TRP A 37 -8.491 -2.341 4.801 1.00 0.46 O ATOM 569 CB TRP A 37 -8.021 0.275 6.656 1.00 0.38 C ATOM 570 CG TRP A 37 -8.558 1.507 7.317 1.00 0.39 C ATOM 571 CD1 TRP A 37 -9.032 2.626 6.697 1.00 0.45 C ATOM 572 CD2 TRP A 37 -8.675 1.746 8.724 1.00 0.46 C ATOM 573 NE1 TRP A 37 -9.439 3.546 7.632 1.00 0.51 N ATOM 574 CE2 TRP A 37 -9.230 3.030 8.884 1.00 0.50 C ATOM 575 CE3 TRP A 37 -8.366 1.001 9.865 1.00 0.58 C ATOM 576 CZ2 TRP A 37 -9.481 3.583 10.137 1.00 0.61 C ATOM 577 CZ3 TRP A 37 -8.616 1.550 11.109 1.00 0.71 C ATOM 578 CH2 TRP A 37 -9.169 2.831 11.235 1.00 0.70 C ATOM 0 H TRP A 37 -10.363 -0.770 6.183 1.00 0.40 H new ATOM 0 HA TRP A 37 -8.460 0.854 4.623 1.00 0.33 H new ATOM 0 HB2 TRP A 37 -8.202 -0.584 7.302 1.00 0.38 H new ATOM 0 HB3 TRP A 37 -6.941 0.371 6.547 1.00 0.38 H new ATOM 0 HD1 TRP A 37 -9.080 2.768 5.627 1.00 0.45 H new ATOM 0 HE1 TRP A 37 -9.833 4.464 7.428 1.00 0.51 H new ATOM 0 HE3 TRP A 37 -7.939 0.013 9.777 1.00 0.58 H new ATOM 0 HZ2 TRP A 37 -9.907 4.570 10.238 1.00 0.61 H new ATOM 0 HZ3 TRP A 37 -8.381 0.983 11.997 1.00 0.71 H new ATOM 0 HH2 TRP A 37 -9.353 3.233 12.220 1.00 0.70 H new ATOM 589 N VAL A 38 -6.863 -1.012 3.989 1.00 0.28 N ATOM 590 CA VAL A 38 -6.125 -2.106 3.370 1.00 0.37 C ATOM 591 C VAL A 38 -5.126 -2.681 4.358 1.00 0.36 C ATOM 592 O VAL A 38 -4.773 -2.034 5.344 1.00 0.31 O ATOM 593 CB VAL A 38 -5.369 -1.656 2.106 1.00 0.41 C ATOM 594 CG1 VAL A 38 -4.600 -2.821 1.499 1.00 0.65 C ATOM 595 CG2 VAL A 38 -6.329 -1.065 1.093 1.00 0.46 C ATOM 0 H VAL A 38 -6.444 -0.092 3.855 1.00 0.28 H new ATOM 0 HA VAL A 38 -6.856 -2.861 3.080 1.00 0.37 H new ATOM 0 HB VAL A 38 -4.654 -0.885 2.391 1.00 0.41 H new ATOM 0 HG11 VAL A 38 -4.072 -2.483 0.607 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -3.880 -3.199 2.225 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -5.296 -3.616 1.230 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -5.776 -0.753 0.207 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -7.070 -1.814 0.813 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -6.832 -0.202 1.529 1.00 0.46 H new ATOM 605 N LYS A 39 -4.669 -3.895 4.092 1.00 0.46 N ATOM 606 CA LYS A 39 -3.724 -4.546 4.976 1.00 0.48 C ATOM 607 C LYS A 39 -2.321 -3.982 4.837 1.00 0.38 C ATOM 608 O LYS A 39 -1.610 -4.264 3.872 1.00 0.45 O ATOM 609 CB LYS A 39 -3.721 -6.056 4.733 1.00 0.63 C ATOM 610 CG LYS A 39 -2.811 -6.828 5.672 1.00 0.67 C ATOM 611 CD LYS A 39 -2.881 -8.324 5.407 1.00 1.09 C ATOM 612 CE LYS A 39 -1.990 -9.103 6.361 1.00 1.61 C ATOM 613 NZ LYS A 39 -2.414 -8.936 7.779 1.00 2.32 N ATOM 0 H LYS A 39 -4.937 -4.444 3.275 1.00 0.46 H new ATOM 0 HA LYS A 39 -4.049 -4.348 5.998 1.00 0.48 H new ATOM 0 HB2 LYS A 39 -4.738 -6.433 4.837 1.00 0.63 H new ATOM 0 HB3 LYS A 39 -3.414 -6.248 3.705 1.00 0.63 H new ATOM 0 HG2 LYS A 39 -1.784 -6.483 5.551 1.00 0.67 H new ATOM 0 HG3 LYS A 39 -3.096 -6.626 6.705 1.00 0.67 H new ATOM 0 HD2 LYS A 39 -3.911 -8.665 5.510 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -2.580 -8.527 4.379 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -2.013 -10.160 6.097 1.00 1.61 H new ATOM 0 HE3 LYS A 39 -0.959 -8.769 6.249 1.00 1.61 H new ATOM 0 HZ1 LYS A 39 -1.629 -9.197 8.409 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 -2.678 -7.944 7.948 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 -3.231 -9.550 7.971 1.00 2.32 H new ATOM 627 N GLY A 40 -1.936 -3.177 5.822 1.00 0.32 N ATOM 628 CA GLY A 40 -0.614 -2.590 5.835 1.00 0.27 C ATOM 629 C GLY A 40 0.395 -3.451 6.563 1.00 0.28 C ATOM 630 O GLY A 40 1.180 -2.958 7.373 1.00 0.35 O ATOM 0 H GLY A 40 -2.523 -2.921 6.616 1.00 0.32 H new ATOM 0 HA2 GLY A 40 -0.280 -2.433 4.810 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -0.660 -1.610 6.309 1.00 0.27 H new ATOM 634 N VAL A 41 0.350 -4.746 6.291 1.00 0.29 N ATOM 635 CA VAL A 41 1.286 -5.688 6.883 1.00 0.39 C ATOM 636 C VAL A 41 2.078 -6.391 5.784 1.00 0.38 C ATOM 637 O VAL A 41 2.816 -7.339 6.050 1.00 0.45 O ATOM 638 CB VAL A 41 0.582 -6.762 7.732 1.00 0.50 C ATOM 639 CG1 VAL A 41 1.534 -7.328 8.774 1.00 0.68 C ATOM 640 CG2 VAL A 41 -0.676 -6.208 8.390 1.00 0.51 C ATOM 0 H VAL A 41 -0.330 -5.170 5.660 1.00 0.29 H new ATOM 0 HA VAL A 41 1.944 -5.111 7.533 1.00 0.39 H new ATOM 0 HB VAL A 41 0.279 -7.571 7.068 1.00 0.50 H new ATOM 0 HG11 VAL A 41 1.019 -8.086 9.364 1.00 0.68 H new ATOM 0 HG12 VAL A 41 2.393 -7.778 8.276 1.00 0.68 H new ATOM 0 HG13 VAL A 41 1.874 -6.526 9.430 1.00 0.68 H new ATOM 0 HG21 VAL A 41 -1.151 -6.990 8.983 1.00 0.51 H new ATOM 0 HG22 VAL A 41 -0.410 -5.373 9.038 1.00 0.51 H new ATOM 0 HG23 VAL A 41 -1.368 -5.865 7.621 1.00 0.51 H new ATOM 650 N HIS A 42 1.919 -5.921 4.545 1.00 0.35 N ATOM 651 CA HIS A 42 2.614 -6.510 3.414 1.00 0.40 C ATOM 652 C HIS A 42 4.061 -6.090 3.409 1.00 0.36 C ATOM 653 O HIS A 42 4.489 -5.273 2.595 1.00 0.31 O ATOM 654 CB HIS A 42 1.899 -6.138 2.116 1.00 0.43 C ATOM 655 CG HIS A 42 1.309 -7.311 1.397 1.00 0.64 C ATOM 656 ND1 HIS A 42 0.219 -8.010 1.869 1.00 1.35 N ATOM 657 CD2 HIS A 42 1.656 -7.901 0.228 1.00 1.27 C ATOM 658 CE1 HIS A 42 -0.078 -8.980 1.023 1.00 1.32 C ATOM 659 NE2 HIS A 42 0.778 -8.936 0.020 1.00 1.17 N ATOM 0 H HIS A 42 1.314 -5.135 4.306 1.00 0.35 H new ATOM 0 HA HIS A 42 2.598 -7.596 3.501 1.00 0.40 H new ATOM 0 HB2 HIS A 42 1.106 -5.424 2.340 1.00 0.43 H new ATOM 0 HB3 HIS A 42 2.604 -5.635 1.454 1.00 0.43 H new ATOM 0 HD1 HIS A 42 -0.280 -7.810 2.736 1.00 1.35 H new ATOM 0 HD2 HIS A 42 2.471 -7.612 -0.419 1.00 1.27 H new ATOM 0 HE1 HIS A 42 -0.885 -9.689 1.134 1.00 1.32 H new ATOM 668 N VAL A 43 4.802 -6.722 4.314 1.00 0.43 N ATOM 669 CA VAL A 43 6.219 -6.451 4.517 1.00 0.44 C ATOM 670 C VAL A 43 7.058 -6.651 3.269 1.00 0.44 C ATOM 671 O VAL A 43 7.799 -7.627 3.147 1.00 0.54 O ATOM 672 CB VAL A 43 6.790 -7.323 5.655 1.00 0.55 C ATOM 673 CG1 VAL A 43 8.271 -7.041 5.876 1.00 1.49 C ATOM 674 CG2 VAL A 43 6.006 -7.101 6.940 1.00 1.34 C ATOM 0 H VAL A 43 4.431 -7.443 4.932 1.00 0.43 H new ATOM 0 HA VAL A 43 6.278 -5.396 4.785 1.00 0.44 H new ATOM 0 HB VAL A 43 6.689 -8.368 5.361 1.00 0.55 H new ATOM 0 HG11 VAL A 43 8.645 -7.670 6.684 1.00 1.49 H new ATOM 0 HG12 VAL A 43 8.823 -7.258 4.962 1.00 1.49 H new ATOM 0 HG13 VAL A 43 8.406 -5.992 6.141 1.00 1.49 H new ATOM 0 HG21 VAL A 43 6.422 -7.724 7.732 1.00 1.34 H new ATOM 0 HG22 VAL A 43 6.072 -6.052 7.230 1.00 1.34 H new ATOM 0 HG23 VAL A 43 4.961 -7.368 6.780 1.00 1.34 H new ATOM 684 N ALA A 44 6.932 -5.715 2.341 1.00 0.36 N ATOM 685 CA ALA A 44 7.723 -5.735 1.129 1.00 0.42 C ATOM 686 C ALA A 44 8.975 -4.904 1.348 1.00 0.41 C ATOM 687 O ALA A 44 9.317 -4.037 0.545 1.00 0.45 O ATOM 688 CB ALA A 44 6.918 -5.220 -0.054 1.00 0.48 C ATOM 0 H ALA A 44 6.285 -4.930 2.409 1.00 0.36 H new ATOM 0 HA ALA A 44 8.010 -6.761 0.897 1.00 0.42 H new ATOM 0 HB1 ALA A 44 7.535 -5.245 -0.952 1.00 0.48 H new ATOM 0 HB2 ALA A 44 6.040 -5.850 -0.199 1.00 0.48 H new ATOM 0 HB3 ALA A 44 6.601 -4.195 0.140 1.00 0.48 H new ATOM 694 N GLU A 45 9.652 -5.182 2.460 1.00 0.43 N ATOM 695 CA GLU A 45 10.870 -4.464 2.838 1.00 0.49 C ATOM 696 C GLU A 45 11.788 -4.291 1.637 1.00 0.53 C ATOM 697 O GLU A 45 12.554 -3.330 1.553 1.00 0.62 O ATOM 698 CB GLU A 45 11.604 -5.201 3.970 1.00 0.58 C ATOM 699 CG GLU A 45 12.456 -6.382 3.511 1.00 1.27 C ATOM 700 CD GLU A 45 13.113 -7.112 4.667 1.00 1.96 C ATOM 701 OE1 GLU A 45 12.476 -8.026 5.231 1.00 2.42 O ATOM 702 OE2 GLU A 45 14.264 -6.767 5.008 1.00 2.44 O ATOM 0 H GLU A 45 9.375 -5.907 3.122 1.00 0.43 H new ATOM 0 HA GLU A 45 10.583 -3.476 3.197 1.00 0.49 H new ATOM 0 HB2 GLU A 45 12.243 -4.490 4.494 1.00 0.58 H new ATOM 0 HB3 GLU A 45 10.868 -5.559 4.690 1.00 0.58 H new ATOM 0 HG2 GLU A 45 11.832 -7.080 2.953 1.00 1.27 H new ATOM 0 HG3 GLU A 45 13.226 -6.026 2.827 1.00 1.27 H new ATOM 709 N ASP A 46 11.702 -5.235 0.714 1.00 0.54 N ATOM 710 CA ASP A 46 12.512 -5.191 -0.497 1.00 0.62 C ATOM 711 C ASP A 46 12.034 -4.076 -1.403 1.00 0.65 C ATOM 712 O ASP A 46 12.834 -3.325 -1.952 1.00 0.75 O ATOM 713 CB ASP A 46 12.449 -6.528 -1.230 1.00 0.68 C ATOM 714 CG ASP A 46 13.369 -6.571 -2.434 1.00 1.64 C ATOM 715 OD1 ASP A 46 13.013 -5.980 -3.475 1.00 2.48 O ATOM 716 OD2 ASP A 46 14.446 -7.198 -2.337 1.00 1.96 O ATOM 0 H ASP A 46 11.081 -6.041 0.778 1.00 0.54 H new ATOM 0 HA ASP A 46 13.547 -4.998 -0.216 1.00 0.62 H new ATOM 0 HB2 ASP A 46 12.718 -7.329 -0.542 1.00 0.68 H new ATOM 0 HB3 ASP A 46 11.425 -6.715 -1.552 1.00 0.68 H new ATOM 721 N VAL A 47 10.723 -3.961 -1.549 1.00 0.62 N ATOM 722 CA VAL A 47 10.149 -2.920 -2.381 1.00 0.72 C ATOM 723 C VAL A 47 10.501 -1.556 -1.804 1.00 0.75 C ATOM 724 O VAL A 47 10.956 -0.687 -2.511 1.00 0.88 O ATOM 725 CB VAL A 47 8.620 -3.066 -2.479 1.00 0.73 C ATOM 726 CG1 VAL A 47 8.031 -1.952 -3.324 1.00 0.84 C ATOM 727 CG2 VAL A 47 8.251 -4.426 -3.050 1.00 0.76 C ATOM 0 H VAL A 47 10.040 -4.574 -1.103 1.00 0.62 H new ATOM 0 HA VAL A 47 10.563 -3.015 -3.385 1.00 0.72 H new ATOM 0 HB VAL A 47 8.201 -2.991 -1.475 1.00 0.73 H new ATOM 0 HG11 VAL A 47 6.949 -2.072 -3.382 1.00 0.84 H new ATOM 0 HG12 VAL A 47 8.265 -0.989 -2.871 1.00 0.84 H new ATOM 0 HG13 VAL A 47 8.455 -1.994 -4.327 1.00 0.84 H new ATOM 0 HG21 VAL A 47 7.166 -4.512 -3.112 1.00 0.76 H new ATOM 0 HG22 VAL A 47 8.681 -4.531 -4.046 1.00 0.76 H new ATOM 0 HG23 VAL A 47 8.641 -5.211 -2.402 1.00 0.76 H new ATOM 737 N ALA A 48 10.296 -1.436 -0.500 1.00 0.68 N ATOM 738 CA ALA A 48 10.567 -0.235 0.295 1.00 0.77 C ATOM 739 C ALA A 48 12.058 0.064 0.343 1.00 0.86 C ATOM 740 O ALA A 48 12.493 1.164 -0.001 1.00 0.99 O ATOM 741 CB ALA A 48 10.042 -0.429 1.710 1.00 0.70 C ATOM 0 H ALA A 48 9.921 -2.201 0.061 1.00 0.68 H new ATOM 0 HA ALA A 48 10.061 0.608 -0.176 1.00 0.77 H new ATOM 0 HB1 ALA A 48 10.245 0.465 2.299 1.00 0.70 H new ATOM 0 HB2 ALA A 48 8.967 -0.607 1.678 1.00 0.70 H new ATOM 0 HB3 ALA A 48 10.538 -1.285 2.168 1.00 0.70 H new ATOM 747 N LYS A 49 12.840 -0.925 0.772 1.00 0.81 N ATOM 748 CA LYS A 49 14.287 -0.766 0.853 1.00 0.92 C ATOM 749 C LYS A 49 14.846 -0.460 -0.528 1.00 0.98 C ATOM 750 O LYS A 49 15.831 0.259 -0.676 1.00 1.11 O ATOM 751 CB LYS A 49 14.930 -2.036 1.416 1.00 0.90 C ATOM 752 CG LYS A 49 16.446 -1.971 1.487 1.00 1.34 C ATOM 753 CD LYS A 49 17.027 -3.220 2.132 1.00 2.07 C ATOM 754 CE LYS A 49 16.710 -4.467 1.322 1.00 2.67 C ATOM 755 NZ LYS A 49 17.342 -4.429 -0.026 1.00 3.35 N ATOM 0 H LYS A 49 12.497 -1.839 1.067 1.00 0.81 H new ATOM 0 HA LYS A 49 14.517 0.063 1.522 1.00 0.92 H new ATOM 0 HB2 LYS A 49 14.536 -2.220 2.415 1.00 0.90 H new ATOM 0 HB3 LYS A 49 14.640 -2.885 0.797 1.00 0.90 H new ATOM 0 HG2 LYS A 49 16.854 -1.855 0.483 1.00 1.34 H new ATOM 0 HG3 LYS A 49 16.747 -1.092 2.057 1.00 1.34 H new ATOM 0 HD2 LYS A 49 18.107 -3.112 2.227 1.00 2.07 H new ATOM 0 HD3 LYS A 49 16.628 -3.329 3.140 1.00 2.07 H new ATOM 0 HE2 LYS A 49 17.058 -5.348 1.861 1.00 2.67 H new ATOM 0 HE3 LYS A 49 15.630 -4.565 1.214 1.00 2.67 H new ATOM 0 HZ1 LYS A 49 17.276 -5.369 -0.467 1.00 3.35 H new ATOM 0 HZ2 LYS A 49 16.849 -3.732 -0.621 1.00 3.35 H new ATOM 0 HZ3 LYS A 49 18.342 -4.159 0.067 1.00 3.35 H new ATOM 769 N ASP A 50 14.206 -1.031 -1.536 1.00 0.91 N ATOM 770 CA ASP A 50 14.604 -0.824 -2.916 1.00 1.00 C ATOM 771 C ASP A 50 13.829 0.343 -3.532 1.00 1.12 C ATOM 772 O ASP A 50 14.139 0.788 -4.637 1.00 1.28 O ATOM 773 CB ASP A 50 14.372 -2.099 -3.726 1.00 0.94 C ATOM 774 CG ASP A 50 15.195 -2.136 -4.999 1.00 1.38 C ATOM 775 OD1 ASP A 50 16.364 -2.571 -4.937 1.00 2.00 O ATOM 776 OD2 ASP A 50 14.671 -1.728 -6.057 1.00 1.45 O ATOM 0 H ASP A 50 13.401 -1.647 -1.420 1.00 0.91 H new ATOM 0 HA ASP A 50 15.666 -0.580 -2.937 1.00 1.00 H new ATOM 0 HB2 ASP A 50 14.619 -2.965 -3.112 1.00 0.94 H new ATOM 0 HB3 ASP A 50 13.315 -2.178 -3.978 1.00 0.94 H new ATOM 781 N TYR A 51 12.816 0.836 -2.812 1.00 1.07 N ATOM 782 CA TYR A 51 12.004 1.931 -3.297 1.00 1.22 C ATOM 783 C TYR A 51 12.632 3.265 -2.940 1.00 1.37 C ATOM 784 O TYR A 51 13.029 4.041 -3.808 1.00 1.51 O ATOM 785 CB TYR A 51 10.590 1.886 -2.729 1.00 1.20 C ATOM 786 CG TYR A 51 9.557 1.249 -3.652 1.00 1.26 C ATOM 787 CD1 TYR A 51 9.937 0.504 -4.770 1.00 1.68 C ATOM 788 CD2 TYR A 51 8.197 1.403 -3.408 1.00 1.11 C ATOM 789 CE1 TYR A 51 8.993 -0.059 -5.610 1.00 1.87 C ATOM 790 CE2 TYR A 51 7.252 0.837 -4.245 1.00 1.18 C ATOM 791 CZ TYR A 51 7.654 0.112 -5.343 1.00 1.57 C ATOM 792 OH TYR A 51 6.712 -0.446 -6.176 1.00 1.77 O ATOM 0 H TYR A 51 12.547 0.487 -1.892 1.00 1.07 H new ATOM 0 HA TYR A 51 11.949 1.824 -4.380 1.00 1.22 H new ATOM 0 HB2 TYR A 51 10.607 1.335 -1.789 1.00 1.20 H new ATOM 0 HB3 TYR A 51 10.273 2.903 -2.497 1.00 1.20 H new ATOM 0 HD1 TYR A 51 10.987 0.365 -4.983 1.00 1.68 H new ATOM 0 HD2 TYR A 51 7.873 1.974 -2.551 1.00 1.11 H new ATOM 0 HE1 TYR A 51 9.306 -0.630 -6.472 1.00 1.87 H new ATOM 0 HE2 TYR A 51 6.200 0.964 -4.037 1.00 1.18 H new ATOM 0 HH TYR A 51 5.815 -0.232 -5.845 1.00 1.77 H new ATOM 802 N GLU A 52 12.722 3.510 -1.637 1.00 1.35 N ATOM 803 CA GLU A 52 13.283 4.750 -1.121 1.00 1.51 C ATOM 804 C GLU A 52 14.797 4.650 -1.005 1.00 1.55 C ATOM 805 O GLU A 52 15.526 5.577 -1.354 1.00 1.70 O ATOM 806 CB GLU A 52 12.681 5.075 0.249 1.00 1.52 C ATOM 807 CG GLU A 52 13.143 4.135 1.353 1.00 1.43 C ATOM 808 CD GLU A 52 12.568 4.495 2.709 1.00 1.44 C ATOM 809 OE1 GLU A 52 12.959 5.547 3.259 1.00 1.77 O ATOM 810 OE2 GLU A 52 11.725 3.728 3.219 1.00 1.20 O ATOM 0 H GLU A 52 12.411 2.860 -0.916 1.00 1.35 H new ATOM 0 HA GLU A 52 13.038 5.550 -1.820 1.00 1.51 H new ATOM 0 HB2 GLU A 52 12.944 6.098 0.519 1.00 1.52 H new ATOM 0 HB3 GLU A 52 11.594 5.034 0.179 1.00 1.52 H new ATOM 0 HG2 GLU A 52 12.854 3.115 1.100 1.00 1.43 H new ATOM 0 HG3 GLU A 52 14.231 4.154 1.408 1.00 1.43 H new ATOM 817 N ASP A 53 15.259 3.513 -0.508 1.00 1.43 N ATOM 818 CA ASP A 53 16.682 3.271 -0.331 1.00 1.48 C ATOM 819 C ASP A 53 17.310 2.688 -1.595 1.00 1.47 C ATOM 820 O ASP A 53 18.527 2.736 -1.770 1.00 1.59 O ATOM 821 CB ASP A 53 16.898 2.328 0.853 1.00 1.40 C ATOM 822 CG ASP A 53 17.051 3.073 2.164 1.00 1.76 C ATOM 823 OD1 ASP A 53 16.034 3.583 2.679 1.00 2.30 O ATOM 824 OD2 ASP A 53 18.188 3.147 2.676 1.00 1.84 O ATOM 0 H ASP A 53 14.663 2.738 -0.218 1.00 1.43 H new ATOM 0 HA ASP A 53 17.170 4.225 -0.130 1.00 1.48 H new ATOM 0 HB2 ASP A 53 16.055 1.641 0.925 1.00 1.40 H new ATOM 0 HB3 ASP A 53 17.788 1.724 0.675 1.00 1.40 H new ATOM 829 N GLY A 54 16.477 2.137 -2.474 1.00 1.36 N ATOM 830 CA GLY A 54 16.983 1.562 -3.706 1.00 1.37 C ATOM 831 C GLY A 54 17.264 2.614 -4.761 1.00 1.49 C ATOM 832 O GLY A 54 18.139 2.434 -5.608 1.00 1.61 O ATOM 0 H GLY A 54 15.466 2.079 -2.355 1.00 1.36 H new ATOM 0 HA2 GLY A 54 17.898 1.008 -3.496 1.00 1.37 H new ATOM 0 HA3 GLY A 54 16.259 0.846 -4.094 1.00 1.37 H new ATOM 836 N LEU A 55 16.521 3.716 -4.710 1.00 1.49 N ATOM 837 CA LEU A 55 16.698 4.803 -5.667 1.00 1.63 C ATOM 838 C LEU A 55 17.783 5.762 -5.188 1.00 1.70 C ATOM 839 O LEU A 55 18.826 5.902 -5.826 1.00 1.78 O ATOM 840 CB LEU A 55 15.378 5.555 -5.869 1.00 1.67 C ATOM 841 CG LEU A 55 15.332 6.474 -7.093 1.00 1.85 C ATOM 842 CD1 LEU A 55 16.369 7.582 -6.980 1.00 2.26 C ATOM 843 CD2 LEU A 55 15.547 5.671 -8.367 1.00 2.34 C ATOM 0 H LEU A 55 15.791 3.879 -4.016 1.00 1.49 H new ATOM 0 HA LEU A 55 17.007 4.377 -6.621 1.00 1.63 H new ATOM 0 HB2 LEU A 55 14.572 4.826 -5.951 1.00 1.67 H new ATOM 0 HB3 LEU A 55 15.178 6.152 -4.979 1.00 1.67 H new ATOM 0 HG LEU A 55 14.346 6.936 -7.135 1.00 1.85 H new ATOM 0 HD11 LEU A 55 16.316 8.221 -7.861 1.00 2.26 H new ATOM 0 HD12 LEU A 55 16.170 8.177 -6.088 1.00 2.26 H new ATOM 0 HD13 LEU A 55 17.364 7.143 -6.909 1.00 2.26 H new ATOM 0 HD21 LEU A 55 15.511 6.338 -9.228 1.00 2.34 H new ATOM 0 HD22 LEU A 55 16.520 5.180 -8.328 1.00 2.34 H new ATOM 0 HD23 LEU A 55 14.764 4.918 -8.459 1.00 2.34 H new ATOM 855 N GLU A 56 17.532 6.423 -4.060 1.00 1.70 N ATOM 856 CA GLU A 56 18.495 7.362 -3.499 1.00 1.80 C ATOM 857 C GLU A 56 19.468 6.646 -2.572 1.00 1.75 C ATOM 858 O GLU A 56 19.582 6.978 -1.392 1.00 1.78 O ATOM 859 CB GLU A 56 17.779 8.485 -2.742 1.00 1.87 C ATOM 860 CG GLU A 56 16.794 7.985 -1.699 1.00 1.94 C ATOM 861 CD GLU A 56 16.276 9.096 -0.806 1.00 2.37 C ATOM 862 OE1 GLU A 56 17.063 9.613 0.014 1.00 2.57 O ATOM 863 OE2 GLU A 56 15.084 9.448 -0.925 1.00 2.95 O ATOM 0 H GLU A 56 16.672 6.325 -3.520 1.00 1.70 H new ATOM 0 HA GLU A 56 19.057 7.800 -4.324 1.00 1.80 H new ATOM 0 HB2 GLU A 56 18.523 9.115 -2.254 1.00 1.87 H new ATOM 0 HB3 GLU A 56 17.249 9.114 -3.458 1.00 1.87 H new ATOM 0 HG2 GLU A 56 15.953 7.504 -2.199 1.00 1.94 H new ATOM 0 HG3 GLU A 56 17.276 7.225 -1.084 1.00 1.94 H new ATOM 870 N TYR A 57 20.165 5.659 -3.119 1.00 1.71 N ATOM 871 CA TYR A 57 21.135 4.885 -2.353 1.00 1.68 C ATOM 872 C TYR A 57 22.483 5.596 -2.307 1.00 1.81 C ATOM 873 O TYR A 57 23.313 5.353 -3.209 1.00 2.23 O ATOM 874 CB TYR A 57 21.301 3.492 -2.964 1.00 1.60 C ATOM 875 CG TYR A 57 22.295 2.621 -2.228 1.00 1.59 C ATOM 876 CD1 TYR A 57 23.639 2.622 -2.576 1.00 1.67 C ATOM 877 CD2 TYR A 57 21.890 1.799 -1.183 1.00 1.54 C ATOM 878 CE1 TYR A 57 24.552 1.828 -1.907 1.00 1.68 C ATOM 879 CE2 TYR A 57 22.795 1.003 -0.509 1.00 1.58 C ATOM 880 CZ TYR A 57 24.124 1.019 -0.875 1.00 1.64 C ATOM 881 OH TYR A 57 25.029 0.228 -0.205 1.00 1.69 O ATOM 882 OXT TYR A 57 22.700 6.392 -1.368 1.00 2.06 O ATOM 0 H TYR A 57 20.077 5.374 -4.094 1.00 1.71 H new ATOM 0 HA TYR A 57 20.762 4.786 -1.334 1.00 1.68 H new ATOM 0 HB2 TYR A 57 20.332 2.992 -2.976 1.00 1.60 H new ATOM 0 HB3 TYR A 57 21.620 3.595 -4.001 1.00 1.60 H new ATOM 0 HD1 TYR A 57 23.977 3.254 -3.384 1.00 1.67 H new ATOM 0 HD2 TYR A 57 20.850 1.783 -0.893 1.00 1.54 H new ATOM 0 HE1 TYR A 57 25.594 1.841 -2.191 1.00 1.68 H new ATOM 0 HE2 TYR A 57 22.463 0.371 0.301 1.00 1.58 H new ATOM 0 HH TYR A 57 24.566 -0.279 0.494 1.00 1.69 H new TER 892 TYR A 57 ATOM 893 N ALA B 1 -14.670 -10.404 5.956 1.00 5.20 N ATOM 894 CA ALA B 1 -13.703 -9.523 5.251 1.00 4.69 C ATOM 895 C ALA B 1 -14.189 -8.075 5.232 1.00 3.91 C ATOM 896 O ALA B 1 -15.376 -7.816 5.031 1.00 3.61 O ATOM 897 CB ALA B 1 -13.479 -10.020 3.831 1.00 4.99 C ATOM 0 H1 ALA B 1 -14.737 -11.315 5.458 1.00 5.20 H new ATOM 0 H2 ALA B 1 -14.346 -10.565 6.931 1.00 5.20 H new ATOM 0 H3 ALA B 1 -15.605 -9.949 5.973 1.00 5.20 H new ATOM 0 HA ALA B 1 -12.758 -9.556 5.793 1.00 4.69 H new ATOM 0 HB1 ALA B 1 -12.769 -9.366 3.325 1.00 4.99 H new ATOM 0 HB2 ALA B 1 -13.082 -11.035 3.859 1.00 4.99 H new ATOM 0 HB3 ALA B 1 -14.425 -10.015 3.290 1.00 4.99 H new ATOM 905 N PRO B 2 -13.276 -7.111 5.441 1.00 3.99 N ATOM 906 CA PRO B 2 -13.618 -5.686 5.447 1.00 3.65 C ATOM 907 C PRO B 2 -13.790 -5.124 4.034 1.00 2.77 C ATOM 908 O PRO B 2 -12.848 -5.128 3.243 1.00 2.79 O ATOM 909 CB PRO B 2 -12.409 -5.049 6.128 1.00 4.44 C ATOM 910 CG PRO B 2 -11.271 -5.939 5.770 1.00 5.12 C ATOM 911 CD PRO B 2 -11.838 -7.333 5.690 1.00 4.90 C ATOM 0 HA PRO B 2 -14.567 -5.491 5.947 1.00 3.65 H new ATOM 0 HB2 PRO B 2 -12.244 -4.031 5.774 1.00 4.44 H new ATOM 0 HB3 PRO B 2 -12.545 -4.993 7.208 1.00 4.44 H new ATOM 0 HG2 PRO B 2 -10.829 -5.643 4.818 1.00 5.12 H new ATOM 0 HG3 PRO B 2 -10.481 -5.882 6.519 1.00 5.12 H new ATOM 0 HD2 PRO B 2 -11.376 -7.908 4.887 1.00 4.90 H new ATOM 0 HD3 PRO B 2 -11.672 -7.887 6.614 1.00 4.90 H new ATOM 919 N PRO B 3 -14.996 -4.630 3.699 1.00 2.55 N ATOM 920 CA PRO B 3 -15.278 -4.067 2.372 1.00 2.38 C ATOM 921 C PRO B 3 -14.571 -2.735 2.139 1.00 2.11 C ATOM 922 O PRO B 3 -15.140 -1.670 2.378 1.00 2.74 O ATOM 923 CB PRO B 3 -16.795 -3.869 2.388 1.00 3.12 C ATOM 924 CG PRO B 3 -17.136 -3.702 3.826 1.00 3.56 C ATOM 925 CD PRO B 3 -16.179 -4.582 4.579 1.00 3.22 C ATOM 0 HA PRO B 3 -14.925 -4.718 1.572 1.00 2.38 H new ATOM 0 HB2 PRO B 3 -17.087 -2.994 1.807 1.00 3.12 H new ATOM 0 HB3 PRO B 3 -17.311 -4.726 1.955 1.00 3.12 H new ATOM 0 HG2 PRO B 3 -17.035 -2.661 4.133 1.00 3.56 H new ATOM 0 HG3 PRO B 3 -18.169 -3.992 4.019 1.00 3.56 H new ATOM 0 HD2 PRO B 3 -15.936 -4.167 5.557 1.00 3.22 H new ATOM 0 HD3 PRO B 3 -16.595 -5.575 4.749 1.00 3.22 H new ATOM 933 N GLY B 4 -13.329 -2.800 1.670 1.00 1.73 N ATOM 934 CA GLY B 4 -12.571 -1.590 1.409 1.00 1.69 C ATOM 935 C GLY B 4 -11.074 -1.838 1.355 1.00 1.53 C ATOM 936 O GLY B 4 -10.323 -1.338 2.192 1.00 2.11 O ATOM 0 H GLY B 4 -12.834 -3.668 1.466 1.00 1.73 H new ATOM 0 HA2 GLY B 4 -12.898 -1.158 0.463 1.00 1.69 H new ATOM 0 HA3 GLY B 4 -12.786 -0.856 2.186 1.00 1.69 H new ATOM 940 N THR B 5 -10.645 -2.612 0.364 1.00 1.20 N ATOM 941 CA THR B 5 -9.231 -2.930 0.196 1.00 1.17 C ATOM 942 C THR B 5 -8.888 -3.208 -1.267 1.00 1.11 C ATOM 943 O THR B 5 -9.772 -3.290 -2.119 1.00 1.30 O ATOM 944 CB THR B 5 -8.822 -4.145 1.048 1.00 1.49 C ATOM 945 OG1 THR B 5 -7.910 -3.906 1.669 1.00 1.85 O ATOM 946 CG2 THR B 5 -9.197 -5.951 1.713 1.00 1.82 C ATOM 0 H THR B 5 -11.257 -3.031 -0.336 1.00 1.20 H new ATOM 0 HA THR B 5 -8.675 -2.055 0.531 1.00 1.17 H new ATOM 0 HB THR B 5 -9.599 -4.322 0.304 1.00 1.49 H new ATOM 0 HG1 THR B 5 -7.206 -4.561 1.481 1.00 1.85 H new ATOM 0 HG21 THR B 5 -8.387 -6.273 2.368 1.00 1.82 H new ATOM 0 HG22 THR B 5 -10.134 -5.946 2.270 1.00 1.82 H new ATOM 0 HG23 THR B 5 -9.278 -6.639 0.871 1.00 1.82 H new ATOM 954 N ALA B 6 -7.593 -3.351 -1.545 1.00 1.15 N ATOM 955 CA ALA B 6 -7.117 -3.630 -2.895 1.00 1.27 C ATOM 956 C ALA B 6 -5.626 -3.964 -2.884 1.00 1.57 C ATOM 957 O ALA B 6 -5.069 -4.314 -1.844 1.00 1.86 O ATOM 958 CB ALA B 6 -7.397 -2.452 -3.815 1.00 1.16 C ATOM 0 H ALA B 6 -6.853 -3.277 -0.847 1.00 1.15 H new ATOM 0 HA ALA B 6 -7.657 -4.497 -3.275 1.00 1.27 H new ATOM 0 HB1 ALA B 6 -7.035 -2.679 -4.818 1.00 1.16 H new ATOM 0 HB2 ALA B 6 -8.470 -2.265 -3.851 1.00 1.16 H new ATOM 0 HB3 ALA B 6 -6.887 -1.566 -3.437 1.00 1.16 H new ATOM 964 N ARG B 7 -4.984 -3.852 -4.043 1.00 2.16 N ATOM 965 CA ARG B 7 -3.556 -4.142 -4.157 1.00 2.49 C ATOM 966 C ARG B 7 -2.864 -3.142 -5.077 1.00 1.97 C ATOM 967 O ARG B 7 -3.354 -2.842 -6.165 1.00 2.16 O ATOM 968 CB ARG B 7 -3.343 -5.561 -4.683 1.00 3.50 C ATOM 969 CG ARG B 7 -3.654 -6.641 -3.663 1.00 4.23 C ATOM 970 CD ARG B 7 -3.590 -8.024 -4.287 1.00 5.24 C ATOM 971 NE ARG B 7 -2.354 -8.234 -5.036 1.00 5.78 N ATOM 972 CZ ARG B 7 -2.150 -9.270 -5.842 1.00 6.67 C ATOM 973 NH1 ARG B 7 -3.093 -10.189 -5.996 1.00 7.13 N ATOM 974 NH2 ARG B 7 -1.003 -9.388 -6.496 1.00 7.29 N ATOM 0 H ARG B 7 -5.427 -3.563 -4.915 1.00 2.16 H new ATOM 0 HA ARG B 7 -3.117 -4.057 -3.163 1.00 2.49 H new ATOM 0 HB2 ARG B 7 -3.970 -5.712 -5.562 1.00 3.50 H new ATOM 0 HB3 ARG B 7 -2.308 -5.667 -5.008 1.00 3.50 H new ATOM 0 HG2 ARG B 7 -2.945 -6.579 -2.837 1.00 4.23 H new ATOM 0 HG3 ARG B 7 -4.647 -6.474 -3.245 1.00 4.23 H new ATOM 0 HD2 ARG B 7 -3.671 -8.778 -3.504 1.00 5.24 H new ATOM 0 HD3 ARG B 7 -4.443 -8.161 -4.951 1.00 5.24 H new ATOM 0 HE ARG B 7 -1.606 -7.548 -4.935 1.00 5.78 H new ATOM 0 HH11 ARG B 7 -3.977 -10.101 -5.495 1.00 7.13 H new ATOM 0 HH12 ARG B 7 -2.934 -10.984 -6.615 1.00 7.13 H new ATOM 0 HH21 ARG B 7 -0.275 -8.683 -6.381 1.00 7.29 H new ATOM 0 HH22 ARG B 7 -0.848 -10.184 -7.114 1.00 7.29 H new ATOM 988 N ARG B 8 -1.717 -2.632 -4.631 1.00 1.65 N ATOM 989 CA ARG B 8 -0.960 -1.664 -5.411 1.00 1.81 C ATOM 990 C ARG B 8 -0.156 -2.341 -6.517 1.00 2.34 C ATOM 991 O ARG B 8 0.034 -1.772 -7.590 1.00 3.35 O ATOM 992 CB ARG B 8 -0.032 -0.873 -4.491 1.00 2.17 C ATOM 993 CG ARG B 8 -0.693 -0.498 -3.180 1.00 2.70 C ATOM 994 CD ARG B 8 -0.150 -1.318 -2.022 1.00 3.52 C ATOM 995 NE ARG B 8 -0.939 -1.130 -0.808 1.00 4.36 N ATOM 996 CZ ARG B 8 -1.009 -2.022 0.174 1.00 5.31 C ATOM 997 NH1 ARG B 8 -0.311 -3.149 0.108 1.00 5.56 N ATOM 998 NH2 ARG B 8 -1.777 -1.786 1.229 1.00 6.23 N ATOM 0 H ARG B 8 -1.295 -2.875 -3.735 1.00 1.65 H new ATOM 0 HA ARG B 8 -1.667 -0.984 -5.887 1.00 1.81 H new ATOM 0 HB2 ARG B 8 0.861 -1.463 -4.287 1.00 2.17 H new ATOM 0 HB3 ARG B 8 0.294 0.033 -5.002 1.00 2.17 H new ATOM 0 HG2 ARG B 8 -0.533 0.562 -2.982 1.00 2.70 H new ATOM 0 HG3 ARG B 8 -1.770 -0.649 -3.259 1.00 2.70 H new ATOM 0 HD2 ARG B 8 -0.147 -2.374 -2.294 1.00 3.52 H new ATOM 0 HD3 ARG B 8 0.885 -1.035 -1.830 1.00 3.52 H new ATOM 0 HE ARG B 8 -1.467 -0.263 -0.708 1.00 4.36 H new ATOM 0 HH11 ARG B 8 0.283 -3.334 -0.700 1.00 5.56 H new ATOM 0 HH12 ARG B 8 -0.369 -3.830 0.865 1.00 5.56 H new ATOM 0 HH21 ARG B 8 -2.313 -0.920 1.286 1.00 6.23 H new ATOM 0 HH22 ARG B 8 -1.831 -2.470 1.983 1.00 6.23 H new ATOM 1012 N LYS B 9 0.319 -3.556 -6.253 1.00 1.97 N ATOM 1013 CA LYS B 9 1.097 -4.292 -7.240 1.00 2.57 C ATOM 1014 C LYS B 9 1.046 -5.797 -6.972 1.00 1.88 C ATOM 1015 O LYS B 9 0.289 -6.256 -6.116 1.00 1.98 O ATOM 1016 CB LYS B 9 2.549 -3.803 -7.238 1.00 3.57 C ATOM 1017 CG LYS B 9 2.703 -2.355 -7.675 1.00 4.55 C ATOM 1018 CD LYS B 9 4.160 -2.006 -7.938 1.00 5.55 C ATOM 1019 CE LYS B 9 4.306 -0.590 -8.468 1.00 6.48 C ATOM 1020 NZ LYS B 9 5.700 -0.304 -8.907 1.00 7.18 N ATOM 0 H LYS B 9 0.179 -4.047 -5.370 1.00 1.97 H new ATOM 0 HA LYS B 9 0.660 -4.109 -8.222 1.00 2.57 H new ATOM 0 HB2 LYS B 9 2.961 -3.917 -6.235 1.00 3.57 H new ATOM 0 HB3 LYS B 9 3.139 -4.438 -7.899 1.00 3.57 H new ATOM 0 HG2 LYS B 9 2.117 -2.182 -8.578 1.00 4.55 H new ATOM 0 HG3 LYS B 9 2.303 -1.696 -6.904 1.00 4.55 H new ATOM 0 HD2 LYS B 9 4.733 -2.112 -7.017 1.00 5.55 H new ATOM 0 HD3 LYS B 9 4.580 -2.710 -8.657 1.00 5.55 H new ATOM 0 HE2 LYS B 9 3.624 -0.443 -9.306 1.00 6.48 H new ATOM 0 HE3 LYS B 9 4.016 0.120 -7.693 1.00 6.48 H new ATOM 0 HZ1 LYS B 9 5.731 0.619 -9.385 1.00 7.18 H new ATOM 0 HZ2 LYS B 9 6.328 -0.286 -8.078 1.00 7.18 H new ATOM 0 HZ3 LYS B 9 6.016 -1.045 -9.565 1.00 7.18 H new ATOM 1034 N ARG B 10 1.856 -6.563 -7.702 1.00 1.72 N ATOM 1035 CA ARG B 10 1.898 -8.011 -7.538 1.00 1.51 C ATOM 1036 C ARG B 10 2.115 -8.401 -6.077 1.00 1.39 C ATOM 1037 O ARG B 10 1.768 -9.507 -5.663 1.00 1.77 O ATOM 1038 CB ARG B 10 3.017 -8.598 -8.395 1.00 1.88 C ATOM 1039 CG ARG B 10 4.363 -7.935 -8.148 1.00 2.02 C ATOM 1040 CD ARG B 10 5.511 -8.797 -8.645 1.00 2.74 C ATOM 1041 NE ARG B 10 6.811 -8.225 -8.302 1.00 2.98 N ATOM 1042 CZ ARG B 10 7.969 -8.838 -8.526 1.00 3.73 C ATOM 1043 NH1 ARG B 10 7.991 -10.035 -9.097 1.00 4.23 N ATOM 1044 NH2 ARG B 10 9.109 -8.255 -8.180 1.00 4.33 N ATOM 0 H ARG B 10 2.492 -6.202 -8.413 1.00 1.72 H new ATOM 0 HA ARG B 10 0.937 -8.413 -7.859 1.00 1.51 H new ATOM 0 HB2 ARG B 10 3.101 -9.666 -8.192 1.00 1.88 H new ATOM 0 HB3 ARG B 10 2.754 -8.494 -9.448 1.00 1.88 H new ATOM 0 HG2 ARG B 10 4.390 -6.968 -8.650 1.00 2.02 H new ATOM 0 HG3 ARG B 10 4.485 -7.745 -7.082 1.00 2.02 H new ATOM 0 HD2 ARG B 10 5.429 -9.795 -8.214 1.00 2.74 H new ATOM 0 HD3 ARG B 10 5.438 -8.910 -9.727 1.00 2.74 H new ATOM 0 HE ARG B 10 6.831 -7.303 -7.866 1.00 2.98 H new ATOM 0 HH11 ARG B 10 7.118 -10.488 -9.366 1.00 4.23 H new ATOM 0 HH12 ARG B 10 8.881 -10.502 -9.267 1.00 4.23 H new ATOM 0 HH21 ARG B 10 9.098 -7.334 -7.741 1.00 4.33 H new ATOM 0 HH22 ARG B 10 9.996 -8.727 -8.353 1.00 4.33 H new ATOM 1058 N LYS B 11 2.689 -7.482 -5.299 1.00 1.29 N ATOM 1059 CA LYS B 11 2.972 -7.723 -3.883 1.00 1.35 C ATOM 1060 C LYS B 11 4.261 -8.524 -3.729 1.00 1.21 C ATOM 1061 O LYS B 11 4.243 -9.755 -3.697 1.00 1.55 O ATOM 1062 CB LYS B 11 1.808 -8.454 -3.202 1.00 1.85 C ATOM 1063 CG LYS B 11 0.439 -7.895 -3.559 1.00 2.93 C ATOM 1064 CD LYS B 11 0.398 -6.381 -3.425 1.00 3.41 C ATOM 1065 CE LYS B 11 0.602 -5.937 -1.985 1.00 4.24 C ATOM 1066 NZ LYS B 11 -0.490 -6.415 -1.091 1.00 4.49 N ATOM 0 H LYS B 11 2.969 -6.558 -5.628 1.00 1.29 H new ATOM 0 HA LYS B 11 3.096 -6.756 -3.395 1.00 1.35 H new ATOM 0 HB2 LYS B 11 1.843 -9.508 -3.477 1.00 1.85 H new ATOM 0 HB3 LYS B 11 1.941 -8.402 -2.121 1.00 1.85 H new ATOM 0 HG2 LYS B 11 0.186 -8.177 -4.581 1.00 2.93 H new ATOM 0 HG3 LYS B 11 -0.316 -8.338 -2.910 1.00 2.93 H new ATOM 0 HD2 LYS B 11 1.170 -5.939 -4.055 1.00 3.41 H new ATOM 0 HD3 LYS B 11 -0.560 -6.010 -3.788 1.00 3.41 H new ATOM 0 HE2 LYS B 11 1.558 -6.314 -1.622 1.00 4.24 H new ATOM 0 HE3 LYS B 11 0.652 -4.849 -1.945 1.00 4.24 H new ATOM 0 HZ1 LYS B 11 -0.395 -5.967 -0.157 1.00 4.49 H new ATOM 0 HZ2 LYS B 11 -1.411 -6.164 -1.504 1.00 4.49 H new ATOM 0 HZ3 LYS B 11 -0.427 -7.448 -0.987 1.00 4.49 H new ATOM 1080 N ALA B 12 5.380 -7.812 -3.633 1.00 0.95 N ATOM 1081 CA ALA B 12 6.691 -8.438 -3.499 1.00 1.15 C ATOM 1082 C ALA B 12 6.797 -9.305 -2.246 1.00 1.48 C ATOM 1083 O ALA B 12 7.717 -10.115 -2.125 1.00 2.05 O ATOM 1084 CB ALA B 12 7.777 -7.374 -3.487 1.00 1.09 C ATOM 0 H ALA B 12 5.404 -6.792 -3.646 1.00 0.95 H new ATOM 0 HA ALA B 12 6.825 -9.094 -4.359 1.00 1.15 H new ATOM 0 HB1 ALA B 12 8.752 -7.851 -3.387 1.00 1.09 H new ATOM 0 HB2 ALA B 12 7.743 -6.809 -4.419 1.00 1.09 H new ATOM 0 HB3 ALA B 12 7.615 -6.698 -2.647 1.00 1.09 H new ATOM 1090 N ASP B 13 5.864 -9.138 -1.316 1.00 1.42 N ATOM 1091 CA ASP B 13 5.888 -9.911 -0.080 1.00 1.79 C ATOM 1092 C ASP B 13 4.756 -10.934 -0.043 1.00 1.88 C ATOM 1093 O ASP B 13 4.850 -11.948 0.648 1.00 2.28 O ATOM 1094 CB ASP B 13 5.795 -8.983 1.133 1.00 2.20 C ATOM 1095 CG ASP B 13 4.461 -8.270 1.222 1.00 3.02 C ATOM 1096 OD1 ASP B 13 4.331 -7.176 0.631 1.00 3.80 O ATOM 1097 OD2 ASP B 13 3.546 -8.803 1.885 1.00 3.28 O ATOM 0 H ASP B 13 5.088 -8.480 -1.393 1.00 1.42 H new ATOM 0 HA ASP B 13 6.835 -10.450 -0.044 1.00 1.79 H new ATOM 0 HB2 ASP B 13 5.954 -9.563 2.042 1.00 2.20 H new ATOM 0 HB3 ASP B 13 6.595 -8.244 1.082 1.00 2.20 H new ATOM 1102 N SER B 14 3.687 -10.663 -0.785 1.00 2.21 N ATOM 1103 CA SER B 14 2.544 -11.569 -0.835 1.00 2.81 C ATOM 1104 C SER B 14 2.112 -11.988 0.569 1.00 3.10 C ATOM 1105 O SER B 14 1.267 -11.286 1.163 1.00 3.52 O ATOM 1106 CB SER B 14 2.886 -12.808 -1.664 1.00 3.34 C ATOM 1107 OG SER B 14 1.795 -13.711 -1.708 1.00 3.91 O ATOM 1108 OXT SER B 14 2.625 -13.015 1.062 1.00 3.46 O ATOM 0 H SER B 14 3.588 -9.826 -1.359 1.00 2.21 H new ATOM 0 HA SER B 14 1.716 -11.039 -1.305 1.00 2.81 H new ATOM 0 HB2 SER B 14 3.155 -12.508 -2.677 1.00 3.34 H new ATOM 0 HB3 SER B 14 3.757 -13.306 -1.237 1.00 3.34 H new ATOM 0 HG SER B 14 2.039 -14.493 -2.245 1.00 3.91 H new TER 1114 SER B 14