USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1124 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: B 13 CYS SG : rot -44:sc= -6.45! USER MOD Set 1.2: B 17 HIS : no HE2:sc= -1.91 K(o=-8.8,f=-11!) USER MOD Set 1.3: B 58 THR OG1 : rot 29:sc= -0.466 USER MOD Set 2.1: A 13 CYS SG : rot -45:sc= -6.58! USER MOD Set 2.2: A 17 HIS : no HE2:sc= -2.79 K(o=-9.8,f=-12!) USER MOD Set 2.3: A 58 THR OG1 : rot 26:sc= -0.402 USER MOD Single : A 3 SER OG : rot 34:sc= 0.0777 USER MOD Single : A 4 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.2!) USER MOD Single : A 5 THR OG1 : rot -111:sc= -0.265 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 64:sc= 0.137 USER MOD Single : A 10 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.5) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.224 (180deg=-0.812) USER MOD Single : A 21 GLN :FLIP amide:sc= -2.5! C(o=-3.3!,f=-2.5!) USER MOD Single : A 25 GLN : amide:sc= -0.0461 K(o=-0.046,f=-1.3) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.49 F(o=-3.5!,f=-1.5) USER MOD Single : A 41 LYS NZ :NH3+ -118:sc= -1.38 (180deg=-3.13!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.0064) USER MOD Single : A 59 HIS : no HD1:sc= -0.0614 X(o=-0.061,f=-0.00011) USER MOD Single : A 62 LYS NZ :NH3+ -111:sc= 0.167 (180deg=-3.62!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.254 F(o=-1.2,f=-0.25) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 35:sc= 0.0911 USER MOD Single : B 4 ASN : amide:sc= -3.05 K(o=-3,f=-4.6!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -1.93 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 60:sc= 0.269 USER MOD Single : B 10 GLN : amide:sc= -2.46 K(o=-2.5,f=-3.3) USER MOD Single : B 20 LYS NZ :NH3+ -165:sc= -0.25 (180deg=-0.767) USER MOD Single : B 21 GLN : amide:sc= -3.41! C(o=-3.4!,f=-3!) USER MOD Single : B 25 GLN : amide:sc= -0.0745 X(o=-0.075,f=-0.55) USER MOD Single : B 40 GLN :FLIP amide:sc= -2.61 F(o=-4.3!,f=-2.6) USER MOD Single : B 41 LYS NZ :NH3+ -118:sc= -1.34 (180deg=-3.03!) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 ASN : amide:sc= -0.093 X(o=-0.093,f=-0.017) USER MOD Single : B 59 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : B 62 LYS NZ :NH3+ -111:sc= 0.219 (180deg=-3.47!) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.181 F(o=-0.96,f=-0.18) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.032 8.455 17.231 1.00 0.00 N ATOM 31 CA SER A 3 -5.728 8.099 17.764 1.00 0.00 C ATOM 32 C SER A 3 -4.993 7.216 16.753 1.00 0.00 C ATOM 33 O SER A 3 -4.469 7.758 15.769 1.00 0.00 O ATOM 34 CB SER A 3 -5.850 7.379 19.108 1.00 0.00 C ATOM 35 OG SER A 3 -6.607 8.132 20.051 1.00 0.00 O ATOM 0 HA SER A 3 -5.161 9.014 17.934 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.322 6.408 18.957 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.854 7.191 19.510 1.00 0.00 H new ATOM 0 HG SER A 3 -7.306 8.634 19.583 1.00 0.00 H new ATOM 41 N ASN A 4 -4.967 5.897 17.012 1.00 0.00 N ATOM 42 CA ASN A 4 -4.302 4.952 16.132 1.00 0.00 C ATOM 43 C ASN A 4 -5.026 4.921 14.784 1.00 0.00 C ATOM 44 O ASN A 4 -4.348 4.792 13.754 1.00 0.00 O ATOM 45 CB ASN A 4 -4.332 3.538 16.718 1.00 0.00 C ATOM 46 CG ASN A 4 -2.933 2.918 16.723 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.923 3.600 16.787 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.930 1.590 16.653 1.00 0.00 N ATOM 0 H ASN A 4 -5.404 5.471 17.830 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.267 5.271 16.015 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.723 3.570 17.735 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.009 2.913 16.135 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.046 1.081 16.651 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.812 1.080 16.602 1.00 0.00 H new ATOM 55 N THR A 5 -6.365 5.036 14.817 1.00 0.00 N ATOM 56 CA THR A 5 -7.169 5.022 13.607 1.00 0.00 C ATOM 57 C THR A 5 -6.711 6.150 12.681 1.00 0.00 C ATOM 58 O THR A 5 -6.538 5.896 11.481 1.00 0.00 O ATOM 59 CB THR A 5 -8.645 5.118 13.999 1.00 0.00 C ATOM 60 OG1 THR A 5 -8.852 3.996 14.852 1.00 0.00 O ATOM 61 CG2 THR A 5 -9.583 4.866 12.818 1.00 0.00 C ATOM 0 H THR A 5 -6.904 5.139 15.677 1.00 0.00 H new ATOM 0 HA THR A 5 -7.041 4.093 13.052 1.00 0.00 H new ATOM 0 HB THR A 5 -8.845 6.105 14.417 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.432 3.346 14.403 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.618 4.946 13.152 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.394 5.605 12.039 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.407 3.867 12.420 1.00 0.00 H new ATOM 69 N VAL A 6 -6.529 7.357 13.248 1.00 0.00 N ATOM 70 CA VAL A 6 -6.095 8.511 12.480 1.00 0.00 C ATOM 71 C VAL A 6 -4.871 8.131 11.643 1.00 0.00 C ATOM 72 O VAL A 6 -4.844 8.468 10.451 1.00 0.00 O ATOM 73 CB VAL A 6 -5.837 9.695 13.414 1.00 0.00 C ATOM 74 CG1 VAL A 6 -4.337 9.947 13.578 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.554 10.952 12.916 1.00 0.00 C ATOM 0 H VAL A 6 -6.679 7.546 14.239 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.877 8.825 11.788 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.243 9.444 14.394 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.181 10.794 14.247 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.863 9.060 13.999 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.897 10.167 12.606 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.354 11.779 13.598 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.192 11.207 11.920 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.627 10.767 12.875 1.00 0.00 H new ATOM 85 N SER A 7 -3.899 7.448 12.275 1.00 0.00 N ATOM 86 CA SER A 7 -2.686 7.029 11.593 1.00 0.00 C ATOM 87 C SER A 7 -3.051 6.081 10.450 1.00 0.00 C ATOM 88 O SER A 7 -2.704 6.385 9.299 1.00 0.00 O ATOM 89 CB SER A 7 -1.710 6.349 12.555 1.00 0.00 C ATOM 90 OG SER A 7 -0.849 7.288 13.195 1.00 0.00 O ATOM 0 H SER A 7 -3.941 7.180 13.258 1.00 0.00 H new ATOM 0 HA SER A 7 -2.190 7.913 11.193 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.270 5.798 13.310 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.110 5.621 12.009 1.00 0.00 H new ATOM 0 HG SER A 7 -0.242 6.815 13.802 1.00 0.00 H new ATOM 96 N SER A 8 -3.731 4.969 10.782 1.00 0.00 N ATOM 97 CA SER A 8 -4.137 3.989 9.789 1.00 0.00 C ATOM 98 C SER A 8 -4.781 4.708 8.603 1.00 0.00 C ATOM 99 O SER A 8 -4.508 4.318 7.458 1.00 0.00 O ATOM 100 CB SER A 8 -5.107 2.964 10.379 1.00 0.00 C ATOM 101 OG SER A 8 -6.007 2.453 9.399 1.00 0.00 O ATOM 0 H SER A 8 -4.006 4.737 11.736 1.00 0.00 H new ATOM 0 HA SER A 8 -3.252 3.448 9.454 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.542 2.141 10.816 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.675 3.426 11.187 1.00 0.00 H new ATOM 0 HG SER A 8 -5.503 1.964 8.715 1.00 0.00 H new ATOM 107 N PHE A 9 -5.610 5.726 8.893 1.00 0.00 N ATOM 108 CA PHE A 9 -6.284 6.490 7.857 1.00 0.00 C ATOM 109 C PHE A 9 -5.240 7.133 6.942 1.00 0.00 C ATOM 110 O PHE A 9 -5.281 6.877 5.730 1.00 0.00 O ATOM 111 CB PHE A 9 -7.171 7.565 8.515 1.00 0.00 C ATOM 112 CG PHE A 9 -8.560 7.702 7.907 1.00 0.00 C ATOM 113 CD1 PHE A 9 -9.628 6.914 8.394 1.00 0.00 C ATOM 114 CD2 PHE A 9 -8.793 8.621 6.856 1.00 0.00 C ATOM 115 CE1 PHE A 9 -10.918 7.042 7.835 1.00 0.00 C ATOM 116 CE2 PHE A 9 -10.083 8.747 6.297 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.145 7.957 6.787 1.00 0.00 C ATOM 0 H PHE A 9 -5.822 6.031 9.843 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.916 5.835 7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.274 7.333 9.575 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.663 8.527 8.448 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.456 6.212 9.196 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.982 9.227 6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.731 6.439 8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.257 9.448 5.494 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.132 8.054 6.359 1.00 0.00 H new ATOM 127 N GLN A 10 -4.340 7.942 7.529 1.00 0.00 N ATOM 128 CA GLN A 10 -3.297 8.612 6.773 1.00 0.00 C ATOM 129 C GLN A 10 -2.643 7.612 5.818 1.00 0.00 C ATOM 130 O GLN A 10 -2.667 7.855 4.602 1.00 0.00 O ATOM 131 CB GLN A 10 -2.257 9.252 7.694 1.00 0.00 C ATOM 132 CG GLN A 10 -2.489 10.759 7.820 1.00 0.00 C ATOM 133 CD GLN A 10 -2.393 11.208 9.280 1.00 0.00 C ATOM 134 OE1 GLN A 10 -1.544 10.767 10.037 1.00 0.00 O ATOM 135 NE2 GLN A 10 -3.309 12.107 9.631 1.00 0.00 N ATOM 0 H GLN A 10 -4.324 8.140 8.529 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.748 9.419 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.305 8.789 8.680 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.257 9.066 7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.753 11.295 7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.471 11.014 7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.991 12.434 8.947 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.329 12.469 10.584 1.00 0.00 H new ATOM 144 N VAL A 11 -2.081 6.526 6.376 1.00 0.00 N ATOM 145 CA VAL A 11 -1.427 5.501 5.579 1.00 0.00 C ATOM 146 C VAL A 11 -2.408 4.974 4.530 1.00 0.00 C ATOM 147 O VAL A 11 -1.959 4.610 3.433 1.00 0.00 O ATOM 148 CB VAL A 11 -0.878 4.401 6.491 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.557 3.137 5.691 1.00 0.00 C ATOM 150 CG2 VAL A 11 0.350 4.889 7.261 1.00 0.00 C ATOM 0 H VAL A 11 -2.072 6.345 7.380 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.573 5.918 5.045 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.651 4.151 7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.169 2.371 6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.464 2.772 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.190 3.367 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.720 4.088 7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.129 5.180 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.077 5.747 7.875 1.00 0.00 H new ATOM 160 N ASP A 12 -3.706 4.944 4.881 1.00 0.00 N ATOM 161 CA ASP A 12 -4.737 4.466 3.976 1.00 0.00 C ATOM 162 C ASP A 12 -4.731 5.318 2.706 1.00 0.00 C ATOM 163 O ASP A 12 -4.401 4.783 1.638 1.00 0.00 O ATOM 164 CB ASP A 12 -6.124 4.577 4.613 1.00 0.00 C ATOM 165 CG ASP A 12 -7.124 3.503 4.178 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.861 2.725 3.249 1.00 0.00 O ATOM 167 OD2 ASP A 12 -8.228 3.484 4.845 1.00 0.00 O ATOM 0 H ASP A 12 -4.055 5.248 5.790 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.527 3.421 3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.014 4.532 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.539 5.556 4.375 1.00 0.00 H new ATOM 172 N CYS A 13 -5.089 6.608 2.844 1.00 0.00 N ATOM 173 CA CYS A 13 -5.123 7.522 1.716 1.00 0.00 C ATOM 174 C CYS A 13 -3.801 7.433 0.951 1.00 0.00 C ATOM 175 O CYS A 13 -3.839 7.215 -0.268 1.00 0.00 O ATOM 176 CB CYS A 13 -5.423 8.952 2.173 1.00 0.00 C ATOM 177 SG CYS A 13 -4.067 9.765 3.068 1.00 0.00 S ATOM 0 H CYS A 13 -5.357 7.030 3.733 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.931 7.234 1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.675 9.553 1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.305 8.936 2.814 1.00 0.00 H new ATOM 0 HG CYS A 13 -3.573 8.944 3.947 1.00 0.00 H new ATOM 183 N PHE A 14 -2.677 7.600 1.671 1.00 0.00 N ATOM 184 CA PHE A 14 -1.358 7.538 1.065 1.00 0.00 C ATOM 185 C PHE A 14 -1.291 6.334 0.123 1.00 0.00 C ATOM 186 O PHE A 14 -1.103 6.540 -1.085 1.00 0.00 O ATOM 187 CB PHE A 14 -0.295 7.426 2.173 1.00 0.00 C ATOM 188 CG PHE A 14 0.975 6.692 1.763 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.824 7.242 0.775 1.00 0.00 C ATOM 190 CD2 PHE A 14 1.318 5.462 2.371 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.003 6.566 0.396 1.00 0.00 C ATOM 192 CE2 PHE A 14 2.497 4.787 1.992 1.00 0.00 C ATOM 193 CZ PHE A 14 3.340 5.338 1.004 1.00 0.00 C ATOM 0 H PHE A 14 -2.668 7.779 2.675 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.166 8.443 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.028 8.429 2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.734 6.914 3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.569 8.182 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.675 5.038 3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.648 6.989 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.755 3.848 2.458 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.242 4.821 0.713 1.00 0.00 H new ATOM 203 N LEU A 15 -1.442 5.121 0.685 1.00 0.00 N ATOM 204 CA LEU A 15 -1.398 3.899 -0.098 1.00 0.00 C ATOM 205 C LEU A 15 -2.263 4.068 -1.349 1.00 0.00 C ATOM 206 O LEU A 15 -1.727 3.937 -2.459 1.00 0.00 O ATOM 207 CB LEU A 15 -1.792 2.696 0.762 1.00 0.00 C ATOM 208 CG LEU A 15 -1.409 1.322 0.209 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.453 0.269 0.587 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.178 1.383 -1.302 1.00 0.00 C ATOM 0 H LEU A 15 -1.595 4.974 1.683 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.381 3.701 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.334 2.811 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.872 2.718 0.910 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.467 1.021 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.157 -0.699 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.525 0.201 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.422 0.553 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.907 0.393 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.091 1.716 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.372 2.083 -1.519 1.00 0.00 H new ATOM 222 N TRP A 16 -3.563 4.352 -1.149 1.00 0.00 N ATOM 223 CA TRP A 16 -4.489 4.537 -2.252 1.00 0.00 C ATOM 224 C TRP A 16 -3.794 5.318 -3.370 1.00 0.00 C ATOM 225 O TRP A 16 -3.703 4.791 -4.488 1.00 0.00 O ATOM 226 CB TRP A 16 -5.772 5.211 -1.761 1.00 0.00 C ATOM 227 CG TRP A 16 -6.795 5.483 -2.865 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.783 4.684 -3.289 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.891 6.675 -3.674 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.506 5.270 -4.308 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.947 6.520 -4.549 1.00 0.00 C ATOM 232 CE3 TRP A 16 -6.112 7.846 -3.665 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.319 7.495 -5.481 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.498 8.811 -4.603 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.557 8.670 -5.491 1.00 0.00 C ATOM 0 H TRP A 16 -3.985 4.456 -0.226 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.786 3.572 -2.662 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.233 4.581 -1.000 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.513 6.154 -1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.988 3.704 -2.884 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.304 4.861 -4.795 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.282 7.989 -2.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.149 7.349 -6.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.932 9.730 -4.639 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.792 9.463 -6.186 1.00 0.00 H new ATOM 246 N HIS A 17 -3.327 6.538 -3.052 1.00 0.00 N ATOM 247 CA HIS A 17 -2.648 7.380 -4.023 1.00 0.00 C ATOM 248 C HIS A 17 -1.600 6.551 -4.766 1.00 0.00 C ATOM 249 O HIS A 17 -1.671 6.480 -6.001 1.00 0.00 O ATOM 250 CB HIS A 17 -2.057 8.622 -3.352 1.00 0.00 C ATOM 251 CG HIS A 17 -3.067 9.707 -3.069 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.241 10.803 -3.896 1.00 0.00 N ATOM 253 CD2 HIS A 17 -3.955 9.853 -2.044 1.00 0.00 C ATOM 254 CE1 HIS A 17 -4.192 11.569 -3.381 1.00 0.00 C ATOM 255 NE2 HIS A 17 -4.635 10.978 -2.234 1.00 0.00 N ATOM 0 H HIS A 17 -3.413 6.954 -2.125 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.364 7.747 -4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.585 8.326 -2.415 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.272 9.028 -3.990 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.725 10.990 -4.756 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.083 9.169 -1.218 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.553 12.498 -3.797 1.00 0.00 H new ATOM 263 N VAL A 18 -0.662 5.950 -4.011 1.00 0.00 N ATOM 264 CA VAL A 18 0.390 5.135 -4.595 1.00 0.00 C ATOM 265 C VAL A 18 -0.229 4.144 -5.584 1.00 0.00 C ATOM 266 O VAL A 18 0.422 3.834 -6.593 1.00 0.00 O ATOM 267 CB VAL A 18 1.196 4.450 -3.488 1.00 0.00 C ATOM 268 CG1 VAL A 18 1.980 3.258 -4.040 1.00 0.00 C ATOM 269 CG2 VAL A 18 2.128 5.446 -2.794 1.00 0.00 C ATOM 0 H VAL A 18 -0.621 6.021 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 18 1.091 5.757 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 18 0.494 4.074 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.544 2.789 -3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.287 2.533 -4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.668 3.601 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.689 4.935 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.821 5.865 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.538 6.249 -2.352 1.00 0.00 H new ATOM 279 N ARG A 19 -1.452 3.674 -5.280 1.00 0.00 N ATOM 280 CA ARG A 19 -2.147 2.728 -6.136 1.00 0.00 C ATOM 281 C ARG A 19 -2.673 3.459 -7.374 1.00 0.00 C ATOM 282 O ARG A 19 -2.531 2.920 -8.481 1.00 0.00 O ATOM 283 CB ARG A 19 -3.318 2.065 -5.409 1.00 0.00 C ATOM 284 CG ARG A 19 -2.936 1.700 -3.973 1.00 0.00 C ATOM 285 CD ARG A 19 -3.664 0.434 -3.516 1.00 0.00 C ATOM 286 NE ARG A 19 -3.410 -0.668 -4.471 1.00 0.00 N ATOM 287 CZ ARG A 19 -4.046 -1.858 -4.439 1.00 0.00 C ATOM 288 NH1 ARG A 19 -4.970 -2.077 -3.492 1.00 0.00 N ATOM 289 NH2 ARG A 19 -3.759 -2.807 -5.340 1.00 0.00 N ATOM 0 H ARG A 19 -1.971 3.942 -4.443 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.440 1.949 -6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.174 2.739 -5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.624 1.168 -5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.859 1.548 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.183 2.526 -3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.325 0.149 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.735 0.626 -3.445 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.711 -0.519 -5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.183 -1.350 -2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.460 -2.971 -3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.055 -2.633 -6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.244 -3.704 -5.309 1.00 0.00 H new ATOM 303 N LYS A 20 -3.260 4.651 -7.166 1.00 0.00 N ATOM 304 CA LYS A 20 -3.801 5.444 -8.256 1.00 0.00 C ATOM 305 C LYS A 20 -2.711 5.669 -9.306 1.00 0.00 C ATOM 306 O LYS A 20 -2.955 5.367 -10.484 1.00 0.00 O ATOM 307 CB LYS A 20 -4.417 6.740 -7.723 1.00 0.00 C ATOM 308 CG LYS A 20 -4.981 7.589 -8.864 1.00 0.00 C ATOM 309 CD LYS A 20 -5.862 8.717 -8.325 1.00 0.00 C ATOM 310 CE LYS A 20 -6.432 9.562 -9.466 1.00 0.00 C ATOM 311 NZ LYS A 20 -5.461 9.660 -10.568 1.00 0.00 N ATOM 0 H LYS A 20 -3.366 5.077 -6.245 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.614 4.910 -8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.210 6.505 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.662 7.309 -7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.162 8.010 -9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.562 6.959 -9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.678 8.296 -7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.279 9.350 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.359 9.117 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.678 10.559 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.743 10.427 -11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.517 9.862 -10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.436 8.761 -11.090 1.00 0.00 H new ATOM 325 N GLN A 21 -1.549 6.186 -8.869 1.00 0.00 N ATOM 326 CA GLN A 21 -0.435 6.446 -9.764 1.00 0.00 C ATOM 327 C GLN A 21 0.071 5.123 -10.341 1.00 0.00 C ATOM 328 O GLN A 21 0.462 5.103 -11.516 1.00 0.00 O ATOM 329 CB GLN A 21 0.691 7.203 -9.056 1.00 0.00 C ATOM 330 CG GLN A 21 0.956 6.617 -7.667 1.00 0.00 C ATOM 331 CD GLN A 21 0.987 7.718 -6.605 1.00 0.00 C ATOM 332 OE1 GLN A 21 -0.086 8.503 -6.608 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 1.923 7.845 -5.834 1.00 0.00 N flip ATOM 0 H GLN A 21 -1.368 6.429 -7.895 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.782 7.083 -10.577 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.600 7.154 -9.655 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.426 8.256 -8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.181 5.891 -7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.906 6.082 -7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.717 7.207 -5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.912 8.589 -5.137 1.00 0.00 H new ATOM 342 N VAL A 22 0.054 4.061 -9.515 1.00 0.00 N ATOM 343 CA VAL A 22 0.508 2.747 -9.941 1.00 0.00 C ATOM 344 C VAL A 22 -0.237 2.343 -11.215 1.00 0.00 C ATOM 345 O VAL A 22 0.425 1.931 -12.179 1.00 0.00 O ATOM 346 CB VAL A 22 0.335 1.740 -8.802 1.00 0.00 C ATOM 347 CG1 VAL A 22 -0.232 0.418 -9.322 1.00 0.00 C ATOM 348 CG2 VAL A 22 1.655 1.518 -8.061 1.00 0.00 C ATOM 0 H VAL A 22 -0.272 4.099 -8.549 1.00 0.00 H new ATOM 0 HA VAL A 22 1.571 2.769 -10.180 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.381 2.155 -8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.345 -0.280 -8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.204 0.595 -9.783 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.449 -0.004 -10.061 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.504 0.798 -7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.402 1.134 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.000 2.463 -7.642 1.00 0.00 H new ATOM 358 N VAL A 23 -1.576 2.466 -11.194 1.00 0.00 N ATOM 359 CA VAL A 23 -2.399 2.115 -12.339 1.00 0.00 C ATOM 360 C VAL A 23 -2.309 3.227 -13.385 1.00 0.00 C ATOM 361 O VAL A 23 -2.369 2.916 -14.584 1.00 0.00 O ATOM 362 CB VAL A 23 -3.834 1.835 -11.886 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.679 1.299 -13.043 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.855 0.871 -10.699 1.00 0.00 C ATOM 0 H VAL A 23 -2.102 2.808 -10.389 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.035 1.199 -12.805 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.273 2.778 -11.560 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.694 1.108 -12.694 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.704 2.035 -13.847 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.242 0.372 -13.413 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.886 0.689 -10.397 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.389 -0.071 -10.987 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.304 1.308 -9.866 1.00 0.00 H new ATOM 374 N ASP A 24 -2.170 4.482 -12.920 1.00 0.00 N ATOM 375 CA ASP A 24 -2.072 5.627 -13.810 1.00 0.00 C ATOM 376 C ASP A 24 -0.914 5.412 -14.786 1.00 0.00 C ATOM 377 O ASP A 24 -0.886 6.087 -15.826 1.00 0.00 O ATOM 378 CB ASP A 24 -1.799 6.912 -13.026 1.00 0.00 C ATOM 379 CG ASP A 24 -2.031 8.207 -13.807 1.00 0.00 C ATOM 380 OD1 ASP A 24 -3.174 8.560 -14.132 1.00 0.00 O ATOM 381 OD2 ASP A 24 -0.963 8.876 -14.085 1.00 0.00 O ATOM 0 H ASP A 24 -2.124 4.717 -11.929 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.019 5.723 -14.341 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.434 6.921 -12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.766 6.895 -12.678 1.00 0.00 H new ATOM 386 N GLN A 25 0.004 4.492 -14.439 1.00 0.00 N ATOM 387 CA GLN A 25 1.152 4.193 -15.278 1.00 0.00 C ATOM 388 C GLN A 25 0.889 2.902 -16.054 1.00 0.00 C ATOM 389 O GLN A 25 1.554 2.682 -17.076 1.00 0.00 O ATOM 390 CB GLN A 25 2.437 4.086 -14.456 1.00 0.00 C ATOM 391 CG GLN A 25 3.476 5.106 -14.926 1.00 0.00 C ATOM 392 CD GLN A 25 4.258 5.678 -13.743 1.00 0.00 C ATOM 393 OE1 GLN A 25 5.307 5.186 -13.361 1.00 0.00 O ATOM 394 NE2 GLN A 25 3.692 6.745 -13.184 1.00 0.00 N ATOM 0 H GLN A 25 -0.038 3.947 -13.578 1.00 0.00 H new ATOM 0 HA GLN A 25 1.293 5.014 -15.982 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.213 4.249 -13.402 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.846 3.079 -14.543 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.164 4.633 -15.626 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.980 5.914 -15.463 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.812 7.107 -13.552 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.138 7.200 -12.388 1.00 0.00 H new ATOM 403 N GLU A 26 -0.061 2.086 -15.562 1.00 0.00 N ATOM 404 CA GLU A 26 -0.406 0.830 -16.204 1.00 0.00 C ATOM 405 C GLU A 26 0.677 -0.208 -15.901 1.00 0.00 C ATOM 406 O GLU A 26 0.916 -1.077 -16.752 1.00 0.00 O ATOM 407 CB GLU A 26 -0.591 1.002 -17.714 1.00 0.00 C ATOM 408 CG GLU A 26 -1.946 0.454 -18.166 1.00 0.00 C ATOM 409 CD GLU A 26 -1.772 -0.613 -19.249 1.00 0.00 C ATOM 410 OE1 GLU A 26 -0.795 -0.568 -20.011 1.00 0.00 O ATOM 411 OE2 GLU A 26 -2.695 -1.513 -19.280 1.00 0.00 O ATOM 0 H GLU A 26 -0.598 2.286 -14.718 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.359 0.484 -15.804 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.516 2.058 -17.975 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.209 0.485 -18.243 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.473 0.028 -17.312 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.562 1.268 -18.548 1.00 0.00 H new ATOM 418 N LEU A 27 1.299 -0.100 -14.713 1.00 0.00 N ATOM 419 CA LEU A 27 2.344 -1.022 -14.304 1.00 0.00 C ATOM 420 C LEU A 27 1.723 -2.171 -13.509 1.00 0.00 C ATOM 421 O LEU A 27 2.430 -3.151 -13.238 1.00 0.00 O ATOM 422 CB LEU A 27 3.448 -0.278 -13.550 1.00 0.00 C ATOM 423 CG LEU A 27 3.133 0.101 -12.101 1.00 0.00 C ATOM 424 CD1 LEU A 27 3.529 -1.022 -11.141 1.00 0.00 C ATOM 425 CD2 LEU A 27 3.789 1.432 -11.729 1.00 0.00 C ATOM 0 H LEU A 27 1.086 0.623 -14.026 1.00 0.00 H new ATOM 0 HA LEU A 27 2.826 -1.463 -15.176 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.345 -0.897 -13.556 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.686 0.633 -14.099 1.00 0.00 H new ATOM 0 HG LEU A 27 2.055 0.236 -12.009 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.294 -0.726 -10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.977 -1.927 -11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.599 -1.214 -11.227 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.550 1.679 -10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.870 1.349 -11.842 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.415 2.218 -12.385 1.00 0.00 H new ATOM 437 N GLY A 28 0.431 -2.031 -13.156 1.00 0.00 N ATOM 438 CA GLY A 28 -0.276 -3.049 -12.399 1.00 0.00 C ATOM 439 C GLY A 28 -0.438 -4.300 -13.266 1.00 0.00 C ATOM 440 O GLY A 28 0.505 -4.638 -13.997 1.00 0.00 O ATOM 0 H GLY A 28 -0.135 -1.215 -13.390 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.275 -3.291 -11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.253 -2.677 -12.091 1.00 0.00 H new ATOM 444 N ASP A 29 -1.611 -4.951 -13.169 1.00 0.00 N ATOM 445 CA ASP A 29 -1.891 -6.152 -13.939 1.00 0.00 C ATOM 446 C ASP A 29 -3.385 -6.208 -14.264 1.00 0.00 C ATOM 447 O ASP A 29 -3.729 -6.583 -15.393 1.00 0.00 O ATOM 448 CB ASP A 29 -1.533 -7.410 -13.145 1.00 0.00 C ATOM 449 CG ASP A 29 -1.782 -8.730 -13.878 1.00 0.00 C ATOM 450 OD1 ASP A 29 -2.098 -8.611 -15.124 1.00 0.00 O ATOM 451 OD2 ASP A 29 -1.680 -9.816 -13.289 1.00 0.00 O ATOM 0 H ASP A 29 -2.375 -4.656 -12.561 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.292 -6.116 -14.849 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.480 -7.359 -12.867 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.107 -7.412 -12.218 1.00 0.00 H new ATOM 456 N ALA A 30 -4.228 -5.839 -13.283 1.00 0.00 N ATOM 457 CA ALA A 30 -5.670 -5.847 -13.464 1.00 0.00 C ATOM 458 C ALA A 30 -6.352 -5.680 -12.104 1.00 0.00 C ATOM 459 O ALA A 30 -7.361 -4.963 -12.035 1.00 0.00 O ATOM 460 CB ALA A 30 -6.114 -7.209 -14.001 1.00 0.00 C ATOM 0 H ALA A 30 -3.923 -5.533 -12.359 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.936 -5.043 -14.150 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.196 -7.212 -14.136 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.629 -7.398 -14.958 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.835 -7.988 -13.292 1.00 0.00 H new ATOM 466 N PRO A 31 -5.797 -6.333 -11.068 1.00 0.00 N ATOM 467 CA PRO A 31 -6.319 -6.280 -9.713 1.00 0.00 C ATOM 468 C PRO A 31 -5.991 -4.940 -9.051 1.00 0.00 C ATOM 469 O PRO A 31 -6.716 -4.546 -8.127 1.00 0.00 O ATOM 470 CB PRO A 31 -5.686 -7.465 -9.001 1.00 0.00 C ATOM 471 CG PRO A 31 -4.483 -7.863 -9.840 1.00 0.00 C ATOM 472 CD PRO A 31 -4.606 -7.170 -11.188 1.00 0.00 C ATOM 0 HA PRO A 31 -7.406 -6.346 -9.678 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.384 -7.196 -7.989 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.392 -8.291 -8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.558 -7.571 -9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.448 -8.945 -9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.722 -6.571 -11.408 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.710 -7.893 -11.997 1.00 0.00 H new ATOM 480 N PHE A 32 -4.922 -4.278 -9.530 1.00 0.00 N ATOM 481 CA PHE A 32 -4.505 -2.996 -8.988 1.00 0.00 C ATOM 482 C PHE A 32 -5.550 -1.935 -9.339 1.00 0.00 C ATOM 483 O PHE A 32 -5.880 -1.121 -8.465 1.00 0.00 O ATOM 484 CB PHE A 32 -3.128 -2.622 -9.571 1.00 0.00 C ATOM 485 CG PHE A 32 -1.940 -3.059 -8.725 1.00 0.00 C ATOM 486 CD1 PHE A 32 -2.126 -3.974 -7.662 1.00 0.00 C ATOM 487 CD2 PHE A 32 -0.646 -2.559 -8.998 1.00 0.00 C ATOM 488 CE1 PHE A 32 -1.025 -4.383 -6.878 1.00 0.00 C ATOM 489 CE2 PHE A 32 0.453 -2.969 -8.214 1.00 0.00 C ATOM 490 CZ PHE A 32 0.264 -3.881 -7.154 1.00 0.00 C ATOM 0 H PHE A 32 -4.338 -4.620 -10.293 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.420 -3.056 -7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.035 -3.067 -10.562 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.085 -1.541 -9.702 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.112 -4.360 -7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.498 -1.861 -9.809 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.170 -5.081 -6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.440 -2.584 -8.425 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.106 -4.194 -6.554 1.00 0.00 H new ATOM 500 N LEU A 33 -6.041 -1.964 -10.591 1.00 0.00 N ATOM 501 CA LEU A 33 -7.038 -1.011 -11.049 1.00 0.00 C ATOM 502 C LEU A 33 -8.389 -1.349 -10.416 1.00 0.00 C ATOM 503 O LEU A 33 -9.033 -0.436 -9.879 1.00 0.00 O ATOM 504 CB LEU A 33 -7.070 -0.965 -12.578 1.00 0.00 C ATOM 505 CG LEU A 33 -7.879 0.177 -13.198 1.00 0.00 C ATOM 506 CD1 LEU A 33 -7.390 0.490 -14.613 1.00 0.00 C ATOM 507 CD2 LEU A 33 -9.378 -0.131 -13.164 1.00 0.00 C ATOM 0 H LEU A 33 -5.755 -2.643 -11.296 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.778 -0.003 -10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.045 -0.896 -12.941 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.474 -1.910 -12.942 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.721 1.073 -12.597 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.982 1.305 -15.030 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.341 0.784 -14.579 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.499 -0.395 -15.240 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.930 0.696 -13.610 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.575 -1.044 -13.726 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.699 -0.265 -12.131 1.00 0.00 H new ATOM 519 N ASP A 34 -8.784 -2.633 -10.489 1.00 0.00 N ATOM 520 CA ASP A 34 -10.045 -3.083 -9.926 1.00 0.00 C ATOM 521 C ASP A 34 -10.073 -2.769 -8.429 1.00 0.00 C ATOM 522 O ASP A 34 -11.066 -2.189 -7.966 1.00 0.00 O ATOM 523 CB ASP A 34 -10.216 -4.594 -10.095 1.00 0.00 C ATOM 524 CG ASP A 34 -11.634 -5.116 -9.857 1.00 0.00 C ATOM 525 OD1 ASP A 34 -12.341 -4.652 -8.950 1.00 0.00 O ATOM 526 OD2 ASP A 34 -12.014 -6.050 -10.661 1.00 0.00 O ATOM 0 H ASP A 34 -8.238 -3.370 -10.936 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.850 -2.568 -10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.909 -4.868 -11.104 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.539 -5.100 -9.407 1.00 0.00 H new ATOM 531 N ARG A 35 -9.000 -3.151 -7.714 1.00 0.00 N ATOM 532 CA ARG A 35 -8.902 -2.911 -6.284 1.00 0.00 C ATOM 533 C ARG A 35 -9.007 -1.409 -6.015 1.00 0.00 C ATOM 534 O ARG A 35 -9.751 -1.025 -5.101 1.00 0.00 O ATOM 535 CB ARG A 35 -7.582 -3.434 -5.715 1.00 0.00 C ATOM 536 CG ARG A 35 -7.602 -4.959 -5.592 1.00 0.00 C ATOM 537 CD ARG A 35 -6.187 -5.513 -5.417 1.00 0.00 C ATOM 538 NE ARG A 35 -5.465 -4.739 -4.382 1.00 0.00 N ATOM 539 CZ ARG A 35 -4.933 -5.280 -3.266 1.00 0.00 C ATOM 540 NH1 ARG A 35 -5.054 -6.599 -3.061 1.00 0.00 N ATOM 541 NH2 ARG A 35 -4.293 -4.510 -2.375 1.00 0.00 N ATOM 0 H ARG A 35 -8.192 -3.628 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.717 -3.444 -5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.758 -3.129 -6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.403 -2.989 -4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.218 -5.251 -4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.059 -5.393 -6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.232 -6.564 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.648 -5.462 -6.363 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.363 -3.734 -4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.543 -7.178 -3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.657 -7.023 -2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.205 -3.507 -2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.894 -4.927 -1.534 1.00 0.00 H new ATOM 555 N LEU A 36 -8.273 -0.603 -6.803 1.00 0.00 N ATOM 556 CA LEU A 36 -8.285 0.842 -6.650 1.00 0.00 C ATOM 557 C LEU A 36 -9.710 1.361 -6.853 1.00 0.00 C ATOM 558 O LEU A 36 -10.070 2.360 -6.214 1.00 0.00 O ATOM 559 CB LEU A 36 -7.257 1.487 -7.581 1.00 0.00 C ATOM 560 CG LEU A 36 -7.633 2.857 -8.149 1.00 0.00 C ATOM 561 CD1 LEU A 36 -7.558 3.938 -7.071 1.00 0.00 C ATOM 562 CD2 LEU A 36 -6.772 3.201 -9.366 1.00 0.00 C ATOM 0 H LEU A 36 -7.666 -0.940 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.986 1.121 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.317 1.586 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.074 0.808 -8.414 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.668 2.813 -8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.830 4.901 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.248 3.694 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.543 3.990 -6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.060 4.180 -9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.722 3.220 -9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.920 2.449 -10.141 1.00 0.00 H new ATOM 574 N ARG A 37 -10.479 0.684 -7.723 1.00 0.00 N ATOM 575 CA ARG A 37 -11.850 1.074 -8.005 1.00 0.00 C ATOM 576 C ARG A 37 -12.703 0.867 -6.752 1.00 0.00 C ATOM 577 O ARG A 37 -13.299 1.844 -6.278 1.00 0.00 O ATOM 578 CB ARG A 37 -12.442 0.258 -9.157 1.00 0.00 C ATOM 579 CG ARG A 37 -12.922 1.172 -10.286 1.00 0.00 C ATOM 580 CD ARG A 37 -11.902 1.217 -11.426 1.00 0.00 C ATOM 581 NE ARG A 37 -12.062 0.029 -12.295 1.00 0.00 N ATOM 582 CZ ARG A 37 -12.463 0.081 -13.582 1.00 0.00 C ATOM 583 NH1 ARG A 37 -12.740 1.273 -14.128 1.00 0.00 N ATOM 584 NH2 ARG A 37 -12.584 -1.041 -14.303 1.00 0.00 N ATOM 0 H ARG A 37 -10.163 -0.137 -8.239 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.849 2.124 -8.297 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.693 -0.435 -9.539 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.275 -0.343 -8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.880 0.816 -10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.086 2.178 -9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.038 2.127 -12.011 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.891 1.247 -11.020 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.856 -0.887 -11.895 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.646 2.123 -13.572 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.044 1.330 -15.100 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.372 -1.945 -13.880 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.888 -0.992 -15.275 1.00 0.00 H new ATOM 598 N ARG A 38 -12.741 -0.380 -6.250 1.00 0.00 N ATOM 599 CA ARG A 38 -13.514 -0.707 -5.063 1.00 0.00 C ATOM 600 C ARG A 38 -12.987 0.101 -3.877 1.00 0.00 C ATOM 601 O ARG A 38 -13.770 0.377 -2.956 1.00 0.00 O ATOM 602 CB ARG A 38 -13.432 -2.199 -4.732 1.00 0.00 C ATOM 603 CG ARG A 38 -12.448 -2.915 -5.659 1.00 0.00 C ATOM 604 CD ARG A 38 -12.319 -4.393 -5.287 1.00 0.00 C ATOM 605 NE ARG A 38 -12.304 -4.544 -3.816 1.00 0.00 N ATOM 606 CZ ARG A 38 -11.345 -5.203 -3.132 1.00 0.00 C ATOM 607 NH1 ARG A 38 -10.332 -5.762 -3.809 1.00 0.00 N ATOM 608 NH2 ARG A 38 -11.403 -5.297 -1.796 1.00 0.00 N ATOM 0 H ARG A 38 -12.241 -1.171 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.557 -0.459 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.120 -2.328 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.420 -2.650 -4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.785 -2.825 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.471 -2.435 -5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.150 -4.957 -5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.404 -4.805 -5.713 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.067 -4.124 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.294 -5.686 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.599 -6.264 -3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.177 -4.868 -1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.674 -5.797 -1.288 1.00 0.00 H new ATOM 622 N ASP A 39 -11.691 0.460 -3.921 1.00 0.00 N ATOM 623 CA ASP A 39 -11.068 1.229 -2.857 1.00 0.00 C ATOM 624 C ASP A 39 -11.470 2.699 -2.995 1.00 0.00 C ATOM 625 O ASP A 39 -11.544 3.389 -1.967 1.00 0.00 O ATOM 626 CB ASP A 39 -9.543 1.146 -2.937 1.00 0.00 C ATOM 627 CG ASP A 39 -8.916 -0.013 -2.160 1.00 0.00 C ATOM 628 OD1 ASP A 39 -9.405 -1.152 -2.209 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.870 0.294 -1.472 1.00 0.00 O ATOM 0 H ASP A 39 -11.063 0.223 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.401 0.818 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.253 1.060 -3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.123 2.081 -2.566 1.00 0.00 H new ATOM 634 N GLN A 40 -11.716 3.142 -4.241 1.00 0.00 N ATOM 635 CA GLN A 40 -12.105 4.517 -4.507 1.00 0.00 C ATOM 636 C GLN A 40 -13.428 4.814 -3.797 1.00 0.00 C ATOM 637 O GLN A 40 -13.509 5.840 -3.106 1.00 0.00 O ATOM 638 CB GLN A 40 -12.215 4.788 -6.008 1.00 0.00 C ATOM 639 CG GLN A 40 -12.769 6.190 -6.272 1.00 0.00 C ATOM 640 CD GLN A 40 -11.667 7.245 -6.163 1.00 0.00 C ATOM 641 OE1 GLN A 40 -11.171 7.385 -4.937 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -11.291 7.890 -7.128 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.649 2.557 -5.074 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.332 5.181 -4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.234 4.687 -6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.864 4.044 -6.469 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.216 6.227 -7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.562 6.412 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.714 7.733 -8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.553 8.586 -7.020 1.00 0.00 H new ATOM 651 N LYS A 41 -14.422 3.925 -3.978 1.00 0.00 N ATOM 652 CA LYS A 41 -15.726 4.091 -3.360 1.00 0.00 C ATOM 653 C LYS A 41 -15.582 3.991 -1.840 1.00 0.00 C ATOM 654 O LYS A 41 -15.953 4.949 -1.148 1.00 0.00 O ATOM 655 CB LYS A 41 -16.729 3.098 -3.950 1.00 0.00 C ATOM 656 CG LYS A 41 -16.664 1.755 -3.222 1.00 0.00 C ATOM 657 CD LYS A 41 -17.539 0.711 -3.918 1.00 0.00 C ATOM 658 CE LYS A 41 -17.392 0.798 -5.438 1.00 0.00 C ATOM 659 NZ LYS A 41 -18.327 1.793 -5.990 1.00 0.00 N ATOM 0 H LYS A 41 -14.334 3.086 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.127 5.081 -3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.737 3.507 -3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.521 2.952 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.632 1.405 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -16.992 1.880 -2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.261 -0.287 -3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.582 0.862 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.368 1.070 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.584 -0.178 -5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.992 1.323 -6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.856 2.240 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.794 2.520 -6.509 1.00 0.00 H new ATOM 673 N SER A 42 -15.055 2.850 -1.360 1.00 0.00 N ATOM 674 CA SER A 42 -14.865 2.630 0.064 1.00 0.00 C ATOM 675 C SER A 42 -14.151 3.839 0.672 1.00 0.00 C ATOM 676 O SER A 42 -14.761 4.527 1.503 1.00 0.00 O ATOM 677 CB SER A 42 -14.067 1.352 0.331 1.00 0.00 C ATOM 678 OG SER A 42 -14.821 0.396 1.072 1.00 0.00 O ATOM 0 H SER A 42 -14.756 2.072 -1.948 1.00 0.00 H new ATOM 0 HA SER A 42 -15.843 2.509 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.758 0.913 -0.618 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.158 1.600 0.879 1.00 0.00 H new ATOM 0 HG SER A 42 -14.277 -0.406 1.220 1.00 0.00 H new ATOM 684 N LEU A 43 -12.894 4.069 0.253 1.00 0.00 N ATOM 685 CA LEU A 43 -12.108 5.184 0.753 1.00 0.00 C ATOM 686 C LEU A 43 -12.935 6.467 0.662 1.00 0.00 C ATOM 687 O LEU A 43 -13.100 7.138 1.692 1.00 0.00 O ATOM 688 CB LEU A 43 -10.766 5.264 0.022 1.00 0.00 C ATOM 689 CG LEU A 43 -9.798 6.344 0.512 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.858 5.791 1.585 1.00 0.00 C ATOM 691 CD2 LEU A 43 -9.032 6.963 -0.658 1.00 0.00 C ATOM 0 H LEU A 43 -12.410 3.489 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.864 5.036 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.271 4.296 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.961 5.433 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.380 7.142 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.181 6.578 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.443 5.435 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.280 4.965 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.351 7.727 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.461 6.188 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.737 7.415 -1.356 1.00 0.00 H new ATOM 703 N ARG A 44 -13.430 6.780 -0.550 1.00 0.00 N ATOM 704 CA ARG A 44 -14.231 7.971 -0.770 1.00 0.00 C ATOM 705 C ARG A 44 -15.220 8.137 0.387 1.00 0.00 C ATOM 706 O ARG A 44 -15.207 9.199 1.025 1.00 0.00 O ATOM 707 CB ARG A 44 -15.007 7.893 -2.087 1.00 0.00 C ATOM 708 CG ARG A 44 -16.079 8.983 -2.156 1.00 0.00 C ATOM 709 CD ARG A 44 -16.313 9.429 -3.602 1.00 0.00 C ATOM 710 NE ARG A 44 -16.539 10.891 -3.649 1.00 0.00 N ATOM 711 CZ ARG A 44 -17.646 11.502 -3.177 1.00 0.00 C ATOM 712 NH1 ARG A 44 -18.615 10.757 -2.628 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.776 12.833 -3.259 1.00 0.00 N ATOM 0 H ARG A 44 -13.282 6.215 -1.386 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.557 8.826 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.319 8.001 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.473 6.912 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.011 8.610 -1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.774 9.838 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.452 9.166 -4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.174 8.906 -4.018 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.812 11.474 -4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.509 9.744 -2.572 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.458 11.203 -2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.035 13.393 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.616 13.286 -2.900 1.00 0.00 H new ATOM 727 N GLY A 45 -16.043 7.101 0.629 1.00 0.00 N ATOM 728 CA GLY A 45 -17.026 7.133 1.698 1.00 0.00 C ATOM 729 C GLY A 45 -16.341 7.537 3.004 1.00 0.00 C ATOM 730 O GLY A 45 -16.862 8.427 3.693 1.00 0.00 O ATOM 0 H GLY A 45 -16.037 6.235 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.820 7.840 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.493 6.154 1.807 1.00 0.00 H new ATOM 734 N ARG A 46 -15.204 6.889 3.314 1.00 0.00 N ATOM 735 CA ARG A 46 -14.457 7.180 4.526 1.00 0.00 C ATOM 736 C ARG A 46 -14.111 8.670 4.561 1.00 0.00 C ATOM 737 O ARG A 46 -14.637 9.377 5.433 1.00 0.00 O ATOM 738 CB ARG A 46 -13.166 6.363 4.603 1.00 0.00 C ATOM 739 CG ARG A 46 -13.007 5.718 5.981 1.00 0.00 C ATOM 740 CD ARG A 46 -13.767 4.393 6.059 1.00 0.00 C ATOM 741 NE ARG A 46 -12.977 3.399 6.818 1.00 0.00 N ATOM 742 CZ ARG A 46 -13.207 3.076 8.108 1.00 0.00 C ATOM 743 NH1 ARG A 46 -14.209 3.679 8.761 1.00 0.00 N ATOM 744 NH2 ARG A 46 -12.445 2.163 8.727 1.00 0.00 N ATOM 0 H ARG A 46 -14.791 6.160 2.733 1.00 0.00 H new ATOM 0 HA ARG A 46 -15.080 6.912 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.174 5.590 3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.311 7.007 4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.950 5.547 6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.375 6.398 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.733 4.546 6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.967 4.020 5.055 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.211 2.928 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.786 4.371 8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.396 3.446 9.736 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.685 1.707 8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.626 1.925 9.702 1.00 0.00 H new ATOM 758 N GLY A 47 -13.248 9.110 3.628 1.00 0.00 N ATOM 759 CA GLY A 47 -12.838 10.503 3.554 1.00 0.00 C ATOM 760 C GLY A 47 -14.063 11.401 3.741 1.00 0.00 C ATOM 761 O GLY A 47 -13.911 12.495 4.304 1.00 0.00 O ATOM 0 H GLY A 47 -12.826 8.511 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.095 10.717 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.368 10.705 2.592 1.00 0.00 H new ATOM 765 N SER A 48 -15.234 10.928 3.276 1.00 0.00 N ATOM 766 CA SER A 48 -16.469 11.684 3.393 1.00 0.00 C ATOM 767 C SER A 48 -16.886 11.749 4.864 1.00 0.00 C ATOM 768 O SER A 48 -16.944 12.860 5.411 1.00 0.00 O ATOM 769 CB SER A 48 -17.587 11.063 2.551 1.00 0.00 C ATOM 770 OG SER A 48 -18.428 12.053 1.967 1.00 0.00 O ATOM 0 H SER A 48 -15.338 10.023 2.817 1.00 0.00 H new ATOM 0 HA SER A 48 -16.295 12.692 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.150 10.449 1.764 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.186 10.401 3.176 1.00 0.00 H new ATOM 0 HG SER A 48 -19.127 11.617 1.437 1.00 0.00 H new ATOM 776 N THR A 49 -17.161 10.577 5.464 1.00 0.00 N ATOM 777 CA THR A 49 -17.567 10.502 6.856 1.00 0.00 C ATOM 778 C THR A 49 -16.702 11.453 7.687 1.00 0.00 C ATOM 779 O THR A 49 -17.241 12.444 8.201 1.00 0.00 O ATOM 780 CB THR A 49 -17.479 9.045 7.314 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.798 8.541 7.120 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.249 8.916 8.821 1.00 0.00 C ATOM 0 H THR A 49 -17.106 9.673 4.995 1.00 0.00 H new ATOM 0 HA THR A 49 -18.600 10.822 6.989 1.00 0.00 H new ATOM 0 HB THR A 49 -16.670 8.545 6.780 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.832 7.600 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.195 7.862 9.092 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.315 9.408 9.090 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.074 9.386 9.356 1.00 0.00 H new ATOM 790 N LEU A 50 -15.398 11.138 7.799 1.00 0.00 N ATOM 791 CA LEU A 50 -14.471 11.957 8.560 1.00 0.00 C ATOM 792 C LEU A 50 -14.494 13.386 8.014 1.00 0.00 C ATOM 793 O LEU A 50 -14.583 14.325 8.819 1.00 0.00 O ATOM 794 CB LEU A 50 -13.078 11.325 8.567 1.00 0.00 C ATOM 795 CG LEU A 50 -12.626 10.712 9.895 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.603 9.598 9.665 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.096 11.790 10.843 1.00 0.00 C ATOM 0 H LEU A 50 -14.974 10.317 7.366 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.778 12.008 9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.049 10.548 7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.354 12.086 8.276 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.493 10.258 10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.299 9.180 10.624 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.050 8.814 9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.731 10.005 9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.781 11.329 11.779 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.246 12.293 10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.883 12.517 11.043 1.00 0.00 H new ATOM 809 N GLY A 51 -14.414 13.522 6.678 1.00 0.00 N ATOM 810 CA GLY A 51 -14.426 14.824 6.034 1.00 0.00 C ATOM 811 C GLY A 51 -13.122 15.558 6.354 1.00 0.00 C ATOM 812 O GLY A 51 -13.141 16.797 6.410 1.00 0.00 O ATOM 0 H GLY A 51 -14.340 12.736 6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.537 14.708 4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.279 15.406 6.381 1.00 0.00 H new ATOM 816 N LEU A 52 -12.034 14.793 6.553 1.00 0.00 N ATOM 817 CA LEU A 52 -10.736 15.367 6.863 1.00 0.00 C ATOM 818 C LEU A 52 -10.168 16.040 5.611 1.00 0.00 C ATOM 819 O LEU A 52 -10.646 17.126 5.255 1.00 0.00 O ATOM 820 CB LEU A 52 -9.811 14.308 7.465 1.00 0.00 C ATOM 821 CG LEU A 52 -9.901 14.122 8.982 1.00 0.00 C ATOM 822 CD1 LEU A 52 -9.195 12.838 9.419 1.00 0.00 C ATOM 823 CD2 LEU A 52 -9.364 15.351 9.716 1.00 0.00 C ATOM 0 H LEU A 52 -12.040 13.774 6.502 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.834 16.141 7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.027 13.352 6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.783 14.565 7.211 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.952 14.019 9.253 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.274 12.730 10.501 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.664 11.982 8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.144 12.886 9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.439 15.194 10.792 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.320 15.510 9.444 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.949 16.227 9.436 1.00 0.00 H new ATOM 835 N ASN A 53 -9.173 15.391 4.978 1.00 0.00 N ATOM 836 CA ASN A 53 -8.549 15.922 3.779 1.00 0.00 C ATOM 837 C ASN A 53 -7.599 14.873 3.196 1.00 0.00 C ATOM 838 O ASN A 53 -6.430 14.843 3.606 1.00 0.00 O ATOM 839 CB ASN A 53 -7.731 17.177 4.093 1.00 0.00 C ATOM 840 CG ASN A 53 -8.321 18.404 3.396 1.00 0.00 C ATOM 841 OD1 ASN A 53 -8.658 19.399 4.014 1.00 0.00 O ATOM 842 ND2 ASN A 53 -8.424 18.278 2.075 1.00 0.00 N ATOM 0 H ASN A 53 -8.792 14.497 5.288 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.339 16.174 3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.710 17.341 5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.699 17.033 3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.804 19.043 1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.123 17.416 1.620 1.00 0.00 H new ATOM 849 N ILE A 54 -8.112 14.046 2.267 1.00 0.00 N ATOM 850 CA ILE A 54 -7.316 13.007 1.636 1.00 0.00 C ATOM 851 C ILE A 54 -5.931 13.565 1.302 1.00 0.00 C ATOM 852 O ILE A 54 -4.945 12.836 1.474 1.00 0.00 O ATOM 853 CB ILE A 54 -8.054 12.427 0.429 1.00 0.00 C ATOM 854 CG1 ILE A 54 -8.870 11.194 0.825 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.082 12.128 -0.715 1.00 0.00 C ATOM 856 CD1 ILE A 54 -9.863 11.529 1.940 1.00 0.00 C ATOM 0 H ILE A 54 -9.079 14.087 1.944 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.167 12.172 2.320 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.758 13.176 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.408 10.815 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.200 10.401 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.632 11.716 -1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.584 13.049 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.337 11.406 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.430 10.636 2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.320 11.885 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.547 12.305 1.597 1.00 0.00 H new ATOM 868 N GLU A 55 -5.886 14.827 0.837 1.00 0.00 N ATOM 869 CA GLU A 55 -4.634 15.472 0.481 1.00 0.00 C ATOM 870 C GLU A 55 -3.736 15.549 1.719 1.00 0.00 C ATOM 871 O GLU A 55 -2.652 14.948 1.698 1.00 0.00 O ATOM 872 CB GLU A 55 -4.867 16.862 -0.113 1.00 0.00 C ATOM 873 CG GLU A 55 -4.324 16.945 -1.541 1.00 0.00 C ATOM 874 CD GLU A 55 -5.134 17.938 -2.378 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.567 18.968 -1.734 1.00 0.00 O ATOM 876 OE2 GLU A 55 -5.330 17.718 -3.583 1.00 0.00 O ATOM 0 H GLU A 55 -6.711 15.412 0.703 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.140 14.877 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.933 17.088 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.381 17.614 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.278 17.251 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.359 15.959 -2.005 1.00 0.00 H new ATOM 883 N ALA A 56 -4.198 16.273 2.755 1.00 0.00 N ATOM 884 CA ALA A 56 -3.442 16.424 3.986 1.00 0.00 C ATOM 885 C ALA A 56 -3.015 15.044 4.490 1.00 0.00 C ATOM 886 O ALA A 56 -1.808 14.831 4.678 1.00 0.00 O ATOM 887 CB ALA A 56 -4.341 17.019 5.072 1.00 0.00 C ATOM 0 H ALA A 56 -5.095 16.759 2.752 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.582 17.064 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.772 17.131 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.705 17.994 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.188 16.356 5.247 1.00 0.00 H new ATOM 893 N ALA A 57 -3.998 14.148 4.696 1.00 0.00 N ATOM 894 CA ALA A 57 -3.725 12.803 5.174 1.00 0.00 C ATOM 895 C ALA A 57 -2.658 12.158 4.287 1.00 0.00 C ATOM 896 O ALA A 57 -1.791 11.453 4.825 1.00 0.00 O ATOM 897 CB ALA A 57 -4.982 11.942 5.028 1.00 0.00 C ATOM 0 H ALA A 57 -4.986 14.343 4.535 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.402 12.864 6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.776 10.934 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.791 12.377 5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.275 11.901 3.979 1.00 0.00 H new ATOM 903 N THR A 58 -2.740 12.406 2.968 1.00 0.00 N ATOM 904 CA THR A 58 -1.788 11.854 2.019 1.00 0.00 C ATOM 905 C THR A 58 -0.398 12.425 2.307 1.00 0.00 C ATOM 906 O THR A 58 0.582 11.674 2.198 1.00 0.00 O ATOM 907 CB THR A 58 -2.284 12.148 0.601 1.00 0.00 C ATOM 908 OG1 THR A 58 -3.065 11.005 0.263 1.00 0.00 O ATOM 909 CG2 THR A 58 -1.152 12.142 -0.427 1.00 0.00 C ATOM 0 H THR A 58 -3.463 12.989 2.545 1.00 0.00 H new ATOM 0 HA THR A 58 -1.707 10.771 2.116 1.00 0.00 H new ATOM 0 HB THR A 58 -2.785 13.116 0.585 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.411 10.592 1.081 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.557 12.356 -1.416 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.417 12.903 -0.164 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.673 11.163 -0.435 1.00 0.00 H new ATOM 917 N HIS A 59 -0.341 13.721 2.663 1.00 0.00 N ATOM 918 CA HIS A 59 0.917 14.383 2.962 1.00 0.00 C ATOM 919 C HIS A 59 1.496 13.808 4.256 1.00 0.00 C ATOM 920 O HIS A 59 2.545 13.150 4.192 1.00 0.00 O ATOM 921 CB HIS A 59 0.738 15.901 3.016 1.00 0.00 C ATOM 922 CG HIS A 59 0.520 16.543 1.667 1.00 0.00 C ATOM 923 ND1 HIS A 59 -0.165 17.734 1.505 1.00 0.00 N ATOM 924 CD2 HIS A 59 0.906 16.148 0.420 1.00 0.00 C ATOM 925 CE1 HIS A 59 -0.186 18.032 0.213 1.00 0.00 C ATOM 926 NE2 HIS A 59 0.478 17.048 -0.457 1.00 0.00 N ATOM 0 H HIS A 59 -1.161 14.322 2.747 1.00 0.00 H new ATOM 0 HA HIS A 59 1.633 14.192 2.162 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.111 16.134 3.659 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.620 16.344 3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.465 15.254 0.186 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.648 18.902 -0.231 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.622 17.010 -1.466 1.00 0.00 H new ATOM 934 N VAL A 60 0.812 14.061 5.387 1.00 0.00 N ATOM 935 CA VAL A 60 1.255 13.572 6.681 1.00 0.00 C ATOM 936 C VAL A 60 1.565 12.077 6.577 1.00 0.00 C ATOM 937 O VAL A 60 2.604 11.653 7.105 1.00 0.00 O ATOM 938 CB VAL A 60 0.207 13.892 7.749 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.227 12.848 8.867 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.408 15.301 8.310 1.00 0.00 C ATOM 0 H VAL A 60 -0.051 14.604 5.418 1.00 0.00 H new ATOM 0 HA VAL A 60 2.173 14.075 6.985 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.774 13.857 7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.527 13.099 9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.012 11.864 8.450 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.211 12.836 9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.350 15.503 9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.398 15.376 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.319 16.030 7.504 1.00 0.00 H new ATOM 950 N GLY A 61 0.675 11.322 5.910 1.00 0.00 N ATOM 951 CA GLY A 61 0.854 9.890 5.740 1.00 0.00 C ATOM 952 C GLY A 61 2.187 9.627 5.038 1.00 0.00 C ATOM 953 O GLY A 61 2.918 8.726 5.478 1.00 0.00 O ATOM 0 H GLY A 61 -0.174 11.691 5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.836 9.392 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.033 9.476 5.154 1.00 0.00 H new ATOM 957 N LYS A 62 2.474 10.403 3.978 1.00 0.00 N ATOM 958 CA LYS A 62 3.707 10.254 3.224 1.00 0.00 C ATOM 959 C LYS A 62 4.898 10.354 4.180 1.00 0.00 C ATOM 960 O LYS A 62 5.889 9.640 3.963 1.00 0.00 O ATOM 961 CB LYS A 62 3.756 11.259 2.072 1.00 0.00 C ATOM 962 CG LYS A 62 3.894 10.544 0.726 1.00 0.00 C ATOM 963 CD LYS A 62 5.264 10.815 0.100 1.00 0.00 C ATOM 964 CE LYS A 62 6.390 10.501 1.086 1.00 0.00 C ATOM 965 NZ LYS A 62 7.677 10.390 0.381 1.00 0.00 N ATOM 0 H LYS A 62 1.859 11.139 3.632 1.00 0.00 H new ATOM 0 HA LYS A 62 3.753 9.270 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.850 11.865 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.595 11.940 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.759 9.471 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.108 10.880 0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.383 10.209 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.327 11.859 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.449 11.285 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.174 9.570 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.998 9.401 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.560 10.699 -0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.383 10.992 0.851 1.00 0.00 H new ATOM 979 N GLN A 63 4.781 11.222 5.199 1.00 0.00 N ATOM 980 CA GLN A 63 5.840 11.412 6.175 1.00 0.00 C ATOM 981 C GLN A 63 5.847 10.232 7.150 1.00 0.00 C ATOM 982 O GLN A 63 6.937 9.834 7.585 1.00 0.00 O ATOM 983 CB GLN A 63 5.686 12.739 6.923 1.00 0.00 C ATOM 984 CG GLN A 63 6.567 13.824 6.301 1.00 0.00 C ATOM 985 CD GLN A 63 5.717 14.959 5.728 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.669 14.545 5.021 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 5.995 16.133 5.915 1.00 0.00 N flip ATOM 0 H GLN A 63 3.956 11.800 5.359 1.00 0.00 H new ATOM 0 HA GLN A 63 6.794 11.452 5.650 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.643 13.055 6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.955 12.603 7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.249 14.220 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.181 13.391 5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.815 16.381 6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.407 16.866 5.518 1.00 0.00 H new ATOM 996 N ILE A 64 4.651 9.704 7.465 1.00 0.00 N ATOM 997 CA ILE A 64 4.521 8.581 8.378 1.00 0.00 C ATOM 998 C ILE A 64 5.180 7.347 7.758 1.00 0.00 C ATOM 999 O ILE A 64 5.861 6.613 8.487 1.00 0.00 O ATOM 1000 CB ILE A 64 3.056 8.369 8.761 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.697 9.167 10.017 1.00 0.00 C ATOM 1002 CG2 ILE A 64 2.739 6.881 8.918 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.050 8.384 11.283 1.00 0.00 C ATOM 0 H ILE A 64 3.765 10.046 7.094 1.00 0.00 H new ATOM 0 HA ILE A 64 5.044 8.787 9.312 1.00 0.00 H new ATOM 0 HB ILE A 64 2.433 8.746 7.950 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.230 10.118 10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.632 9.398 10.013 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.691 6.759 9.191 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.931 6.367 7.976 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.369 6.455 9.699 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.785 8.973 12.161 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.497 7.445 11.296 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.120 8.176 11.295 1.00 0.00 H new ATOM 1015 N VAL A 65 4.966 7.146 6.445 1.00 0.00 N ATOM 1016 CA VAL A 65 5.534 6.012 5.737 1.00 0.00 C ATOM 1017 C VAL A 65 7.039 6.229 5.560 1.00 0.00 C ATOM 1018 O VAL A 65 7.800 5.270 5.756 1.00 0.00 O ATOM 1019 CB VAL A 65 4.801 5.801 4.411 1.00 0.00 C ATOM 1020 CG1 VAL A 65 4.904 7.044 3.525 1.00 0.00 C ATOM 1021 CG2 VAL A 65 5.328 4.563 3.683 1.00 0.00 C ATOM 0 H VAL A 65 4.400 7.763 5.862 1.00 0.00 H new ATOM 0 HA VAL A 65 5.402 5.097 6.314 1.00 0.00 H new ATOM 0 HB VAL A 65 3.747 5.634 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.375 6.868 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.458 7.895 4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.953 7.255 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.790 4.437 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.391 4.687 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.179 3.682 4.308 1.00 0.00 H new ATOM 1031 N GLU A 66 7.431 7.464 5.199 1.00 0.00 N ATOM 1032 CA GLU A 66 8.831 7.799 4.998 1.00 0.00 C ATOM 1033 C GLU A 66 9.576 7.673 6.329 1.00 0.00 C ATOM 1034 O GLU A 66 10.782 7.386 6.304 1.00 0.00 O ATOM 1035 CB GLU A 66 8.994 9.201 4.409 1.00 0.00 C ATOM 1036 CG GLU A 66 9.297 9.134 2.911 1.00 0.00 C ATOM 1037 CD GLU A 66 10.126 10.342 2.466 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.450 11.419 2.254 1.00 0.00 O ATOM 1039 OE2 GLU A 66 11.354 10.235 2.332 1.00 0.00 O ATOM 0 H GLU A 66 6.788 8.240 5.043 1.00 0.00 H new ATOM 0 HA GLU A 66 9.258 7.101 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.083 9.777 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.800 9.724 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.837 8.214 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.364 9.101 2.348 1.00 0.00 H new ATOM 1046 N LYS A 67 8.857 7.887 7.445 1.00 0.00 N ATOM 1047 CA LYS A 67 9.447 7.798 8.770 1.00 0.00 C ATOM 1048 C LYS A 67 9.614 6.326 9.152 1.00 0.00 C ATOM 1049 O LYS A 67 10.558 6.013 9.892 1.00 0.00 O ATOM 1050 CB LYS A 67 8.626 8.606 9.777 1.00 0.00 C ATOM 1051 CG LYS A 67 8.859 8.103 11.203 1.00 0.00 C ATOM 1052 CD LYS A 67 10.311 8.323 11.632 1.00 0.00 C ATOM 1053 CE LYS A 67 10.382 9.098 12.950 1.00 0.00 C ATOM 1054 NZ LYS A 67 10.783 10.493 12.706 1.00 0.00 N ATOM 0 H LYS A 67 7.865 8.123 7.443 1.00 0.00 H new ATOM 0 HA LYS A 67 10.442 8.243 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.897 9.660 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.567 8.533 9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.191 8.623 11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.615 7.042 11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.811 7.361 11.744 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.845 8.870 10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.412 9.074 13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.095 8.620 13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.826 11.005 13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.719 10.511 12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.087 10.950 12.082 1.00 0.00 H new ATOM 1068 N ILE A 68 8.710 5.467 8.649 1.00 0.00 N ATOM 1069 CA ILE A 68 8.757 4.044 8.935 1.00 0.00 C ATOM 1070 C ILE A 68 9.854 3.394 8.089 1.00 0.00 C ATOM 1071 O ILE A 68 10.664 2.642 8.649 1.00 0.00 O ATOM 1072 CB ILE A 68 7.377 3.413 8.744 1.00 0.00 C ATOM 1073 CG1 ILE A 68 6.910 2.718 10.025 1.00 0.00 C ATOM 1074 CG2 ILE A 68 7.369 2.464 7.543 1.00 0.00 C ATOM 1075 CD1 ILE A 68 5.389 2.803 10.170 1.00 0.00 C ATOM 0 H ILE A 68 7.940 5.746 8.041 1.00 0.00 H new ATOM 0 HA ILE A 68 9.017 3.874 9.980 1.00 0.00 H new ATOM 0 HB ILE A 68 6.664 4.210 8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.220 1.673 10.010 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.388 3.180 10.889 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.376 2.029 7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.628 3.017 6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.097 1.669 7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.082 2.302 11.088 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.085 3.849 10.209 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.915 2.319 9.316 1.00 0.00 H new ATOM 1087 N LEU A 69 9.857 3.690 6.777 1.00 0.00 N ATOM 1088 CA LEU A 69 10.844 3.139 5.865 1.00 0.00 C ATOM 1089 C LEU A 69 12.224 3.696 6.217 1.00 0.00 C ATOM 1090 O LEU A 69 13.219 2.988 6.001 1.00 0.00 O ATOM 1091 CB LEU A 69 10.432 3.389 4.413 1.00 0.00 C ATOM 1092 CG LEU A 69 10.694 4.797 3.874 1.00 0.00 C ATOM 1093 CD1 LEU A 69 12.074 4.887 3.222 1.00 0.00 C ATOM 1094 CD2 LEU A 69 9.580 5.237 2.922 1.00 0.00 C ATOM 0 H LEU A 69 9.179 4.311 6.335 1.00 0.00 H new ATOM 0 HA LEU A 69 10.899 2.056 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.958 2.675 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.367 3.177 4.317 1.00 0.00 H new ATOM 0 HG LEU A 69 10.690 5.490 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.234 5.898 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.841 4.647 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.132 4.180 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.791 6.241 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.526 4.546 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.628 5.238 3.452 1.00 0.00 H new ATOM 1106 N LYS A 70 12.259 4.933 6.743 1.00 0.00 N ATOM 1107 CA LYS A 70 13.505 5.576 7.120 1.00 0.00 C ATOM 1108 C LYS A 70 14.209 4.731 8.184 1.00 0.00 C ATOM 1109 O LYS A 70 15.449 4.706 8.193 1.00 0.00 O ATOM 1110 CB LYS A 70 13.254 7.023 7.551 1.00 0.00 C ATOM 1111 CG LYS A 70 14.490 7.615 8.230 1.00 0.00 C ATOM 1112 CD LYS A 70 14.103 8.752 9.178 1.00 0.00 C ATOM 1113 CE LYS A 70 13.896 8.231 10.603 1.00 0.00 C ATOM 1114 NZ LYS A 70 15.138 8.359 11.382 1.00 0.00 N ATOM 0 H LYS A 70 11.428 5.500 6.913 1.00 0.00 H new ATOM 0 HA LYS A 70 14.176 5.635 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.989 7.624 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.406 7.061 8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.013 6.836 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.182 7.987 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.882 9.514 9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.189 9.230 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.096 8.790 11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.584 7.187 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.982 8.002 12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.892 7.807 10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.419 9.359 11.425 1.00 0.00 H new ATOM 1128 N GLU A 71 13.417 4.067 9.045 1.00 0.00 N ATOM 1129 CA GLU A 71 13.962 3.230 10.102 1.00 0.00 C ATOM 1130 C GLU A 71 14.369 1.877 9.516 1.00 0.00 C ATOM 1131 O GLU A 71 15.149 1.164 10.165 1.00 0.00 O ATOM 1132 CB GLU A 71 12.963 3.054 11.248 1.00 0.00 C ATOM 1133 CG GLU A 71 11.896 4.149 11.220 1.00 0.00 C ATOM 1134 CD GLU A 71 11.185 4.257 12.570 1.00 0.00 C ATOM 1135 OE1 GLU A 71 10.259 3.381 12.770 1.00 0.00 O ATOM 1136 OE2 GLU A 71 11.514 5.139 13.376 1.00 0.00 O ATOM 0 H GLU A 71 12.398 4.101 9.020 1.00 0.00 H new ATOM 0 HA GLU A 71 14.842 3.720 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.487 2.076 11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.490 3.080 12.202 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.357 5.105 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.168 3.932 10.438 1.00 0.00 H new ATOM 1199 N SER B 3 5.121 -9.657 -17.312 1.00 0.00 N ATOM 1200 CA SER B 3 5.209 -8.302 -17.830 1.00 0.00 C ATOM 1201 C SER B 3 4.676 -7.324 -16.781 1.00 0.00 C ATOM 1202 O SER B 3 5.411 -7.022 -15.830 1.00 0.00 O ATOM 1203 CB SER B 3 4.432 -8.152 -19.139 1.00 0.00 C ATOM 1204 OG SER B 3 4.840 -9.106 -20.115 1.00 0.00 O ATOM 0 HA SER B 3 6.255 -8.080 -18.042 1.00 0.00 H new ATOM 0 HB2 SER B 3 3.366 -8.267 -18.943 1.00 0.00 H new ATOM 0 HB3 SER B 3 4.577 -7.146 -19.533 1.00 0.00 H new ATOM 0 HG SER B 3 5.078 -9.947 -19.671 1.00 0.00 H new ATOM 1210 N ASN B 4 3.428 -6.857 -16.971 1.00 0.00 N ATOM 1211 CA ASN B 4 2.807 -5.924 -16.048 1.00 0.00 C ATOM 1212 C ASN B 4 2.615 -6.606 -14.691 1.00 0.00 C ATOM 1213 O ASN B 4 2.791 -5.934 -13.664 1.00 0.00 O ATOM 1214 CB ASN B 4 1.431 -5.484 -16.553 1.00 0.00 C ATOM 1215 CG ASN B 4 1.293 -3.960 -16.509 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.258 -3.220 -16.615 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.043 -3.535 -16.349 1.00 0.00 N ATOM 0 H ASN B 4 2.839 -7.119 -17.761 1.00 0.00 H new ATOM 0 HA ASN B 4 3.456 -5.053 -15.962 1.00 0.00 H new ATOM 0 HB2 ASN B 4 1.284 -5.837 -17.574 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.652 -5.941 -15.943 1.00 0.00 H new ATOM 0 HD21 ASN B 4 -0.154 -2.535 -16.308 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.718 -4.209 -16.267 1.00 0.00 H new ATOM 1224 N THR B 5 2.266 -7.904 -14.714 1.00 0.00 N ATOM 1225 CA THR B 5 2.054 -8.666 -13.495 1.00 0.00 C ATOM 1226 C THR B 5 3.308 -8.580 -12.621 1.00 0.00 C ATOM 1227 O THR B 5 3.168 -8.366 -11.408 1.00 0.00 O ATOM 1228 CB THR B 5 1.674 -10.098 -13.874 1.00 0.00 C ATOM 1229 OG1 THR B 5 0.502 -9.948 -14.671 1.00 0.00 O ATOM 1230 CG2 THR B 5 1.202 -10.917 -12.670 1.00 0.00 C ATOM 0 H THR B 5 2.127 -8.439 -15.572 1.00 0.00 H new ATOM 0 HA THR B 5 1.234 -8.259 -12.904 1.00 0.00 H new ATOM 0 HB THR B 5 2.530 -10.590 -14.335 1.00 0.00 H new ATOM 0 HG1 THR B 5 0.188 -10.830 -14.961 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.945 -11.925 -12.994 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.999 -10.967 -11.929 1.00 0.00 H new ATOM 0 HG23 THR B 5 0.325 -10.443 -12.229 1.00 0.00 H new ATOM 1238 N VAL B 6 4.488 -8.749 -13.244 1.00 0.00 N ATOM 1239 CA VAL B 6 5.752 -8.691 -12.528 1.00 0.00 C ATOM 1240 C VAL B 6 5.812 -7.398 -11.712 1.00 0.00 C ATOM 1241 O VAL B 6 6.161 -7.466 -10.524 1.00 0.00 O ATOM 1242 CB VAL B 6 6.916 -8.832 -13.510 1.00 0.00 C ATOM 1243 CG1 VAL B 6 7.612 -7.489 -13.734 1.00 0.00 C ATOM 1244 CG2 VAL B 6 7.911 -9.892 -13.032 1.00 0.00 C ATOM 0 H VAL B 6 4.581 -8.927 -14.244 1.00 0.00 H new ATOM 0 HA VAL B 6 5.833 -9.522 -11.827 1.00 0.00 H new ATOM 0 HB VAL B 6 6.509 -9.161 -14.466 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.435 -7.619 -14.436 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.898 -6.772 -14.140 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.999 -7.117 -12.785 1.00 0.00 H new ATOM 0 HG21 VAL B 6 8.729 -9.973 -13.748 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.308 -9.605 -12.058 1.00 0.00 H new ATOM 0 HG23 VAL B 6 7.406 -10.854 -12.949 1.00 0.00 H new ATOM 1254 N SER B 7 5.477 -6.264 -12.354 1.00 0.00 N ATOM 1255 CA SER B 7 5.492 -4.971 -11.691 1.00 0.00 C ATOM 1256 C SER B 7 4.513 -4.993 -10.516 1.00 0.00 C ATOM 1257 O SER B 7 4.945 -4.726 -9.385 1.00 0.00 O ATOM 1258 CB SER B 7 5.135 -3.841 -12.660 1.00 0.00 C ATOM 1259 OG SER B 7 6.275 -3.367 -13.371 1.00 0.00 O ATOM 0 H SER B 7 5.194 -6.229 -13.333 1.00 0.00 H new ATOM 0 HA SER B 7 6.501 -4.781 -11.324 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.387 -4.195 -13.369 1.00 0.00 H new ATOM 0 HB3 SER B 7 4.685 -3.017 -12.106 1.00 0.00 H new ATOM 0 HG SER B 7 6.005 -2.648 -13.980 1.00 0.00 H new ATOM 1265 N SER B 8 3.237 -5.304 -10.802 1.00 0.00 N ATOM 1266 CA SER B 8 2.210 -5.358 -9.775 1.00 0.00 C ATOM 1267 C SER B 8 2.720 -6.184 -8.592 1.00 0.00 C ATOM 1268 O SER B 8 2.474 -5.785 -7.445 1.00 0.00 O ATOM 1269 CB SER B 8 0.908 -5.954 -10.316 1.00 0.00 C ATOM 1270 OG SER B 8 0.163 -6.619 -9.301 1.00 0.00 O ATOM 0 H SER B 8 2.903 -5.520 -11.741 1.00 0.00 H new ATOM 0 HA SER B 8 1.994 -4.341 -9.448 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.300 -5.161 -10.751 1.00 0.00 H new ATOM 0 HB3 SER B 8 1.137 -6.657 -11.117 1.00 0.00 H new ATOM 0 HG SER B 8 -0.069 -5.981 -8.594 1.00 0.00 H new ATOM 1276 N PHE B 9 3.410 -7.300 -8.890 1.00 0.00 N ATOM 1277 CA PHE B 9 3.948 -8.170 -7.859 1.00 0.00 C ATOM 1278 C PHE B 9 4.925 -7.379 -6.988 1.00 0.00 C ATOM 1279 O PHE B 9 4.726 -7.339 -5.765 1.00 0.00 O ATOM 1280 CB PHE B 9 4.655 -9.368 -8.524 1.00 0.00 C ATOM 1281 CG PHE B 9 4.355 -10.717 -7.884 1.00 0.00 C ATOM 1282 CD1 PHE B 9 3.239 -11.471 -8.313 1.00 0.00 C ATOM 1283 CD2 PHE B 9 5.193 -11.227 -6.864 1.00 0.00 C ATOM 1284 CE1 PHE B 9 2.960 -12.724 -7.724 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.914 -12.480 -6.278 1.00 0.00 C ATOM 1286 CZ PHE B 9 3.798 -13.228 -6.707 1.00 0.00 C ATOM 0 H PHE B 9 3.602 -7.611 -9.842 1.00 0.00 H new ATOM 0 HA PHE B 9 3.144 -8.545 -7.226 1.00 0.00 H new ATOM 0 HB2 PHE B 9 4.365 -9.407 -9.574 1.00 0.00 H new ATOM 0 HB3 PHE B 9 5.731 -9.199 -8.496 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.598 -11.088 -9.093 1.00 0.00 H new ATOM 0 HD2 PHE B 9 6.048 -10.656 -6.533 1.00 0.00 H new ATOM 0 HE1 PHE B 9 2.105 -13.296 -8.052 1.00 0.00 H new ATOM 0 HE2 PHE B 9 5.556 -12.867 -5.500 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.585 -14.186 -6.257 1.00 0.00 H new ATOM 1296 N GLN B 10 5.944 -6.773 -7.624 1.00 0.00 N ATOM 1297 CA GLN B 10 6.940 -5.991 -6.911 1.00 0.00 C ATOM 1298 C GLN B 10 6.238 -5.048 -5.933 1.00 0.00 C ATOM 1299 O GLN B 10 6.528 -5.123 -4.730 1.00 0.00 O ATOM 1300 CB GLN B 10 7.837 -5.211 -7.875 1.00 0.00 C ATOM 1301 CG GLN B 10 9.184 -5.914 -8.060 1.00 0.00 C ATOM 1302 CD GLN B 10 9.577 -5.966 -9.537 1.00 0.00 C ATOM 1303 OE1 GLN B 10 9.425 -5.010 -10.281 1.00 0.00 O ATOM 1304 NE2 GLN B 10 10.088 -7.131 -9.921 1.00 0.00 N ATOM 0 H GLN B 10 6.089 -6.817 -8.633 1.00 0.00 H new ATOM 0 HA GLN B 10 7.585 -6.671 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.340 -5.110 -8.840 1.00 0.00 H new ATOM 0 HB3 GLN B 10 7.998 -4.203 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.953 -5.389 -7.494 1.00 0.00 H new ATOM 0 HG3 GLN B 10 9.128 -6.926 -7.659 1.00 0.00 H new ATOM 0 HE21 GLN B 10 10.188 -7.891 -9.248 1.00 0.00 H new ATOM 0 HE22 GLN B 10 10.380 -7.266 -10.889 1.00 0.00 H new ATOM 1313 N VAL B 11 5.341 -4.193 -6.458 1.00 0.00 N ATOM 1314 CA VAL B 11 4.606 -3.247 -5.636 1.00 0.00 C ATOM 1315 C VAL B 11 3.830 -4.008 -4.559 1.00 0.00 C ATOM 1316 O VAL B 11 3.651 -3.459 -3.462 1.00 0.00 O ATOM 1317 CB VAL B 11 3.708 -2.376 -6.516 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.632 -1.680 -5.682 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.535 -1.358 -7.305 1.00 0.00 C ATOM 0 H VAL B 11 5.116 -4.147 -7.452 1.00 0.00 H new ATOM 0 HA VAL B 11 5.293 -2.571 -5.126 1.00 0.00 H new ATOM 0 HB VAL B 11 3.207 -3.027 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL B 11 2.007 -1.067 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL B 11 2.014 -2.429 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.106 -1.047 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.873 -0.751 -7.923 1.00 0.00 H new ATOM 0 HG22 VAL B 11 5.076 -0.714 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL B 11 5.246 -1.883 -7.943 1.00 0.00 H new ATOM 1329 N ASP B 12 3.392 -5.237 -4.888 1.00 0.00 N ATOM 1330 CA ASP B 12 2.644 -6.063 -3.956 1.00 0.00 C ATOM 1331 C ASP B 12 3.510 -6.352 -2.728 1.00 0.00 C ATOM 1332 O ASP B 12 3.168 -5.870 -1.638 1.00 0.00 O ATOM 1333 CB ASP B 12 2.262 -7.401 -4.590 1.00 0.00 C ATOM 1334 CG ASP B 12 0.948 -8.003 -4.087 1.00 0.00 C ATOM 1335 OD1 ASP B 12 0.353 -7.515 -3.115 1.00 0.00 O ATOM 1336 OD2 ASP B 12 0.532 -9.032 -4.745 1.00 0.00 O ATOM 0 H ASP B 12 3.550 -5.670 -5.798 1.00 0.00 H new ATOM 0 HA ASP B 12 1.738 -5.523 -3.680 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.194 -7.268 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.065 -8.115 -4.407 1.00 0.00 H new ATOM 1341 N CYS B 13 4.597 -7.120 -2.925 1.00 0.00 N ATOM 1342 CA CYS B 13 5.500 -7.468 -1.841 1.00 0.00 C ATOM 1343 C CYS B 13 5.858 -6.205 -1.056 1.00 0.00 C ATOM 1344 O CYS B 13 5.673 -6.199 0.169 1.00 0.00 O ATOM 1345 CB CYS B 13 6.744 -8.185 -2.370 1.00 0.00 C ATOM 1346 SG CYS B 13 7.904 -7.124 -3.282 1.00 0.00 S ATOM 0 H CYS B 13 4.862 -7.506 -3.831 1.00 0.00 H new ATOM 0 HA CYS B 13 5.003 -8.165 -1.166 1.00 0.00 H new ATOM 0 HB2 CYS B 13 7.271 -8.637 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS B 13 6.427 -8.999 -3.023 1.00 0.00 H new ATOM 0 HG CYS B 13 7.242 -6.358 -4.098 1.00 0.00 H new ATOM 1352 N PHE B 14 6.357 -5.177 -1.766 1.00 0.00 N ATOM 1353 CA PHE B 14 6.736 -3.921 -1.140 1.00 0.00 C ATOM 1354 C PHE B 14 5.623 -3.472 -0.191 1.00 0.00 C ATOM 1355 O PHE B 14 5.906 -3.275 1.000 1.00 0.00 O ATOM 1356 CB PHE B 14 6.984 -2.863 -2.232 1.00 0.00 C ATOM 1357 CG PHE B 14 6.738 -1.426 -1.792 1.00 0.00 C ATOM 1358 CD1 PHE B 14 7.504 -0.866 -0.744 1.00 0.00 C ATOM 1359 CD2 PHE B 14 5.749 -0.642 -2.431 1.00 0.00 C ATOM 1360 CE1 PHE B 14 7.282 0.467 -0.336 1.00 0.00 C ATOM 1361 CE2 PHE B 14 5.527 0.691 -2.022 1.00 0.00 C ATOM 1362 CZ PHE B 14 6.293 1.245 -0.975 1.00 0.00 C ATOM 0 H PHE B 14 6.503 -5.203 -2.775 1.00 0.00 H new ATOM 0 HA PHE B 14 7.653 -4.050 -0.565 1.00 0.00 H new ATOM 0 HB2 PHE B 14 8.014 -2.952 -2.578 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.341 -3.083 -3.085 1.00 0.00 H new ATOM 0 HD1 PHE B 14 8.261 -1.460 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.162 -1.064 -3.234 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.869 0.891 0.465 1.00 0.00 H new ATOM 0 HE2 PHE B 14 4.770 1.287 -2.511 1.00 0.00 H new ATOM 0 HZ PHE B 14 6.123 2.265 -0.662 1.00 0.00 H new ATOM 1372 N LEU B 15 4.398 -3.322 -0.728 1.00 0.00 N ATOM 1373 CA LEU B 15 3.256 -2.902 0.065 1.00 0.00 C ATOM 1374 C LEU B 15 3.221 -3.704 1.367 1.00 0.00 C ATOM 1375 O LEU B 15 3.262 -3.088 2.442 1.00 0.00 O ATOM 1376 CB LEU B 15 1.969 -3.002 -0.754 1.00 0.00 C ATOM 1377 CG LEU B 15 0.743 -2.296 -0.168 1.00 0.00 C ATOM 1378 CD1 LEU B 15 -0.540 -3.058 -0.504 1.00 0.00 C ATOM 1379 CD2 LEU B 15 0.904 -2.081 1.338 1.00 0.00 C ATOM 0 H LEU B 15 4.186 -3.489 -1.712 1.00 0.00 H new ATOM 0 HA LEU B 15 3.350 -1.852 0.340 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.160 -2.592 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.727 -4.057 -0.887 1.00 0.00 H new ATOM 0 HG LEU B 15 0.662 -1.311 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.396 -2.536 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.655 -3.118 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.485 -4.064 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.020 -1.578 1.730 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.022 -3.045 1.833 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.785 -1.467 1.526 1.00 0.00 H new ATOM 1391 N TRP B 16 3.146 -5.042 1.247 1.00 0.00 N ATOM 1392 CA TRP B 16 3.106 -5.918 2.406 1.00 0.00 C ATOM 1393 C TRP B 16 4.113 -5.424 3.448 1.00 0.00 C ATOM 1394 O TRP B 16 3.698 -5.145 4.582 1.00 0.00 O ATOM 1395 CB TRP B 16 3.345 -7.368 1.983 1.00 0.00 C ATOM 1396 CG TRP B 16 3.307 -8.369 3.140 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.251 -9.047 3.610 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.422 -8.777 3.960 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.603 -9.860 4.668 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.965 -9.691 4.888 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.773 -8.388 3.918 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.793 -10.292 5.844 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.587 -8.997 4.881 1.00 0.00 C ATOM 1404 CH2 TRP B 16 6.142 -9.919 5.821 1.00 0.00 C ATOM 0 H TRP B 16 3.112 -5.530 0.352 1.00 0.00 H new ATOM 0 HA TRP B 16 2.119 -5.891 2.868 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.592 -7.650 1.248 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.314 -7.436 1.489 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.251 -8.967 3.211 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.978 -10.473 5.192 1.00 0.00 H new ATOM 0 HE3 TRP B 16 6.152 -7.676 3.200 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 4.412 -11.005 6.560 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.634 -8.732 4.894 1.00 0.00 H new ATOM 0 HH2 TRP B 16 6.835 -10.346 6.531 1.00 0.00 H new ATOM 1415 N HIS B 17 5.393 -5.329 3.049 1.00 0.00 N ATOM 1416 CA HIS B 17 6.446 -4.875 3.942 1.00 0.00 C ATOM 1417 C HIS B 17 5.990 -3.599 4.652 1.00 0.00 C ATOM 1418 O HIS B 17 6.008 -3.575 5.891 1.00 0.00 O ATOM 1419 CB HIS B 17 7.765 -4.697 3.187 1.00 0.00 C ATOM 1420 CG HIS B 17 8.486 -5.991 2.897 1.00 0.00 C ATOM 1421 ND1 HIS B 17 9.553 -6.441 3.656 1.00 0.00 N ATOM 1422 CD2 HIS B 17 8.284 -6.926 1.924 1.00 0.00 C ATOM 1423 CE1 HIS B 17 9.966 -7.595 3.154 1.00 0.00 C ATOM 1424 NE2 HIS B 17 9.179 -7.894 2.081 1.00 0.00 N ATOM 0 H HIS B 17 5.713 -5.564 2.109 1.00 0.00 H new ATOM 0 HA HIS B 17 6.636 -5.631 4.704 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.567 -4.185 2.246 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.421 -4.050 3.770 1.00 0.00 H new ATOM 0 HD1 HIS B 17 9.953 -5.965 4.464 1.00 0.00 H new ATOM 0 HD2 HIS B 17 7.525 -6.886 1.157 1.00 0.00 H new ATOM 0 HE1 HIS B 17 10.783 -8.194 3.529 1.00 0.00 H new ATOM 1432 N VAL B 18 5.600 -2.579 3.865 1.00 0.00 N ATOM 1433 CA VAL B 18 5.145 -1.314 4.415 1.00 0.00 C ATOM 1434 C VAL B 18 4.078 -1.578 5.479 1.00 0.00 C ATOM 1435 O VAL B 18 4.014 -0.814 6.453 1.00 0.00 O ATOM 1436 CB VAL B 18 4.655 -0.401 3.290 1.00 0.00 C ATOM 1437 CG1 VAL B 18 3.791 0.736 3.843 1.00 0.00 C ATOM 1438 CG2 VAL B 18 5.829 0.148 2.477 1.00 0.00 C ATOM 0 H VAL B 18 5.595 -2.619 2.846 1.00 0.00 H new ATOM 0 HA VAL B 18 5.968 -0.793 4.904 1.00 0.00 H new ATOM 0 HB VAL B 18 4.035 -0.998 2.621 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.456 1.370 3.022 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.925 0.318 4.356 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.377 1.330 4.545 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.452 0.794 1.684 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.487 0.721 3.130 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.386 -0.680 2.037 1.00 0.00 H new ATOM 1448 N ARG B 19 3.275 -2.638 5.276 1.00 0.00 N ATOM 1449 CA ARG B 19 2.222 -2.996 6.211 1.00 0.00 C ATOM 1450 C ARG B 19 2.846 -3.627 7.457 1.00 0.00 C ATOM 1451 O ARG B 19 2.433 -3.269 8.569 1.00 0.00 O ATOM 1452 CB ARG B 19 1.230 -3.983 5.590 1.00 0.00 C ATOM 1453 CG ARG B 19 0.857 -3.563 4.167 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.594 -3.934 3.849 1.00 0.00 C ATOM 1455 NE ARG B 19 -1.494 -3.403 4.895 1.00 0.00 N ATOM 1456 CZ ARG B 19 -2.832 -3.583 4.905 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -3.401 -4.283 3.915 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -3.579 -3.068 5.891 1.00 0.00 N ATOM 0 H ARG B 19 3.345 -3.256 4.467 1.00 0.00 H new ATOM 0 HA ARG B 19 1.679 -2.088 6.474 1.00 0.00 H new ATOM 0 HB2 ARG B 19 1.666 -4.982 5.576 1.00 0.00 H new ATOM 0 HB3 ARG B 19 0.331 -4.036 6.205 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.995 -2.488 4.053 1.00 0.00 H new ATOM 0 HG3 ARG B 19 1.525 -4.047 3.454 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.876 -3.531 2.876 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -0.695 -5.017 3.786 1.00 0.00 H new ATOM 0 HE ARG B 19 -1.078 -2.867 5.657 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -2.825 -4.671 3.168 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -4.411 -4.428 3.908 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -3.137 -2.536 6.641 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -4.589 -3.208 5.892 1.00 0.00 H new ATOM 1472 N LYS B 20 3.813 -4.540 7.250 1.00 0.00 N ATOM 1473 CA LYS B 20 4.484 -5.213 8.350 1.00 0.00 C ATOM 1474 C LYS B 20 5.043 -4.167 9.316 1.00 0.00 C ATOM 1475 O LYS B 20 4.741 -4.252 10.516 1.00 0.00 O ATOM 1476 CB LYS B 20 5.539 -6.185 7.818 1.00 0.00 C ATOM 1477 CG LYS B 20 6.254 -6.899 8.967 1.00 0.00 C ATOM 1478 CD LYS B 20 7.078 -8.080 8.449 1.00 0.00 C ATOM 1479 CE LYS B 20 7.786 -8.800 9.599 1.00 0.00 C ATOM 1480 NZ LYS B 20 8.188 -7.839 10.639 1.00 0.00 N ATOM 0 H LYS B 20 4.139 -4.821 6.325 1.00 0.00 H new ATOM 0 HA LYS B 20 3.777 -5.822 8.913 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.066 -6.920 7.166 1.00 0.00 H new ATOM 0 HB3 LYS B 20 6.266 -5.643 7.213 1.00 0.00 H new ATOM 0 HG2 LYS B 20 6.905 -6.197 9.487 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.521 -7.252 9.693 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.428 -8.779 7.923 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.815 -7.726 7.728 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.124 -9.553 10.027 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.664 -9.325 9.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 8.877 -8.286 11.277 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 8.620 -7.005 10.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 7.351 -7.546 11.183 1.00 0.00 H new ATOM 1494 N GLN B 21 5.832 -3.217 8.785 1.00 0.00 N ATOM 1495 CA GLN B 21 6.426 -2.167 9.596 1.00 0.00 C ATOM 1496 C GLN B 21 5.316 -1.284 10.170 1.00 0.00 C ATOM 1497 O GLN B 21 5.456 -0.834 11.317 1.00 0.00 O ATOM 1498 CB GLN B 21 7.428 -1.334 8.793 1.00 0.00 C ATOM 1499 CG GLN B 21 6.878 -1.006 7.403 1.00 0.00 C ATOM 1500 CD GLN B 21 7.897 -1.349 6.314 1.00 0.00 C ATOM 1501 OE1 GLN B 21 8.210 -0.551 5.446 1.00 0.00 O ATOM 1502 NE2 GLN B 21 8.395 -2.579 6.408 1.00 0.00 N ATOM 0 H GLN B 21 6.067 -3.164 7.794 1.00 0.00 H new ATOM 0 HA GLN B 21 6.980 -2.628 10.414 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.650 -0.410 9.328 1.00 0.00 H new ATOM 0 HB3 GLN B 21 8.366 -1.880 8.697 1.00 0.00 H new ATOM 0 HG2 GLN B 21 5.957 -1.563 7.232 1.00 0.00 H new ATOM 0 HG3 GLN B 21 6.625 0.053 7.349 1.00 0.00 H new ATOM 0 HE21 GLN B 21 8.090 -3.197 7.160 1.00 0.00 H new ATOM 0 HE22 GLN B 21 9.082 -2.904 5.728 1.00 0.00 H new ATOM 1511 N VAL B 22 4.255 -1.057 9.376 1.00 0.00 N ATOM 1512 CA VAL B 22 3.135 -0.236 9.803 1.00 0.00 C ATOM 1513 C VAL B 22 2.594 -0.770 11.130 1.00 0.00 C ATOM 1514 O VAL B 22 2.443 0.025 12.070 1.00 0.00 O ATOM 1515 CB VAL B 22 2.074 -0.185 8.701 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.667 -0.310 9.290 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.209 1.092 7.869 1.00 0.00 C ATOM 0 H VAL B 22 4.160 -1.437 8.434 1.00 0.00 H new ATOM 0 HA VAL B 22 3.457 0.791 9.973 1.00 0.00 H new ATOM 0 HB VAL B 22 2.237 -1.035 8.038 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.069 -0.271 8.487 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.577 -1.259 9.819 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.489 0.511 9.985 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.443 1.103 7.093 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.085 1.962 8.514 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.195 1.122 7.406 1.00 0.00 H new ATOM 1527 N VAL B 23 2.317 -2.086 11.182 1.00 0.00 N ATOM 1528 CA VAL B 23 1.798 -2.716 12.383 1.00 0.00 C ATOM 1529 C VAL B 23 2.935 -2.905 13.389 1.00 0.00 C ATOM 1530 O VAL B 23 2.667 -2.861 14.598 1.00 0.00 O ATOM 1531 CB VAL B 23 1.094 -4.027 12.025 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.363 -4.607 13.237 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.136 -3.831 10.848 1.00 0.00 C ATOM 0 H VAL B 23 2.449 -2.725 10.398 1.00 0.00 H new ATOM 0 HA VAL B 23 1.050 -2.078 12.854 1.00 0.00 H new ATOM 0 HB VAL B 23 1.857 -4.744 11.721 1.00 0.00 H new ATOM 0 HG11 VAL B 23 -0.128 -5.538 12.954 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.080 -4.802 14.035 1.00 0.00 H new ATOM 0 HG13 VAL B 23 -0.384 -3.894 13.587 1.00 0.00 H new ATOM 0 HG21 VAL B 23 -0.351 -4.778 10.614 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.619 -3.090 11.112 1.00 0.00 H new ATOM 0 HG23 VAL B 23 0.694 -3.485 9.978 1.00 0.00 H new ATOM 1543 N ASP B 24 4.163 -3.107 12.877 1.00 0.00 N ATOM 1544 CA ASP B 24 5.328 -3.300 13.723 1.00 0.00 C ATOM 1545 C ASP B 24 5.445 -2.125 14.696 1.00 0.00 C ATOM 1546 O ASP B 24 6.120 -2.277 15.726 1.00 0.00 O ATOM 1547 CB ASP B 24 6.610 -3.354 12.890 1.00 0.00 C ATOM 1548 CG ASP B 24 7.838 -3.893 13.628 1.00 0.00 C ATOM 1549 OD1 ASP B 24 7.911 -5.086 13.959 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.758 -3.020 13.866 1.00 0.00 O ATOM 0 H ASP B 24 4.362 -3.139 11.877 1.00 0.00 H new ATOM 0 HA ASP B 24 5.206 -4.242 14.257 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.430 -3.976 12.013 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.833 -2.350 12.529 1.00 0.00 H new ATOM 1555 N GLN B 25 4.798 -0.997 14.358 1.00 0.00 N ATOM 1556 CA GLN B 25 4.830 0.190 15.196 1.00 0.00 C ATOM 1557 C GLN B 25 3.512 0.302 15.966 1.00 0.00 C ATOM 1558 O GLN B 25 3.485 0.995 16.993 1.00 0.00 O ATOM 1559 CB GLN B 25 5.094 1.453 14.374 1.00 0.00 C ATOM 1560 CG GLN B 25 6.346 2.179 14.868 1.00 0.00 C ATOM 1561 CD GLN B 25 7.136 2.770 13.699 1.00 0.00 C ATOM 1562 OE1 GLN B 25 6.954 3.910 13.306 1.00 0.00 O ATOM 1563 NE2 GLN B 25 8.021 1.932 13.166 1.00 0.00 N ATOM 0 H GLN B 25 4.248 -0.893 13.505 1.00 0.00 H new ATOM 0 HA GLN B 25 5.653 0.095 15.904 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.214 1.189 13.323 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.234 2.119 14.439 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.061 2.974 15.557 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.977 1.486 15.424 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.123 0.990 13.544 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.598 2.231 12.380 1.00 0.00 H new ATOM 1572 N GLU B 26 2.462 -0.369 15.461 1.00 0.00 N ATOM 1573 CA GLU B 26 1.155 -0.345 16.096 1.00 0.00 C ATOM 1574 C GLU B 26 0.484 1.003 15.821 1.00 0.00 C ATOM 1575 O GLU B 26 -0.273 1.471 16.684 1.00 0.00 O ATOM 1576 CB GLU B 26 1.256 -0.611 17.600 1.00 0.00 C ATOM 1577 CG GLU B 26 0.298 -1.726 18.024 1.00 0.00 C ATOM 1578 CD GLU B 26 -0.660 -1.239 19.114 1.00 0.00 C ATOM 1579 OE1 GLU B 26 -0.307 -0.346 19.897 1.00 0.00 O ATOM 1580 OE2 GLU B 26 -1.810 -1.823 19.129 1.00 0.00 O ATOM 0 H GLU B 26 2.505 -0.933 14.612 1.00 0.00 H new ATOM 0 HA GLU B 26 0.546 -1.143 15.673 1.00 0.00 H new ATOM 0 HB2 GLU B 26 2.279 -0.888 17.856 1.00 0.00 H new ATOM 0 HB3 GLU B 26 1.025 0.301 18.151 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -0.272 -2.069 17.160 1.00 0.00 H new ATOM 0 HG3 GLU B 26 0.867 -2.580 18.390 1.00 0.00 H new ATOM 1587 N LEU B 27 0.770 1.589 14.646 1.00 0.00 N ATOM 1588 CA LEU B 27 0.199 2.869 14.265 1.00 0.00 C ATOM 1589 C LEU B 27 -1.143 2.636 13.565 1.00 0.00 C ATOM 1590 O LEU B 27 -1.868 3.616 13.342 1.00 0.00 O ATOM 1591 CB LEU B 27 1.196 3.674 13.429 1.00 0.00 C ATOM 1592 CG LEU B 27 1.389 3.211 11.984 1.00 0.00 C ATOM 1593 CD1 LEU B 27 0.402 3.911 11.047 1.00 0.00 C ATOM 1594 CD2 LEU B 27 2.839 3.401 11.535 1.00 0.00 C ATOM 0 H LEU B 27 1.397 1.186 13.949 1.00 0.00 H new ATOM 0 HA LEU B 27 -0.002 3.474 15.149 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.872 4.715 13.416 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.164 3.648 13.930 1.00 0.00 H new ATOM 0 HG LEU B 27 1.176 2.143 11.937 1.00 0.00 H new ATOM 0 HD11 LEU B 27 0.561 3.564 10.026 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.618 3.680 11.354 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.559 4.989 11.092 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.948 3.064 10.504 1.00 0.00 H new ATOM 0 HD22 LEU B 27 3.105 4.456 11.602 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.498 2.819 12.179 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.440 1.366 13.241 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.681 1.011 12.574 1.00 0.00 C ATOM 1608 C GLY B 28 -3.852 1.244 13.531 1.00 0.00 C ATOM 1609 O GLY B 28 -3.830 2.248 14.258 1.00 0.00 O ATOM 0 H GLY B 28 -0.828 0.574 13.436 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.808 1.611 11.673 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.654 -0.033 12.261 1.00 0.00 H new ATOM 1613 N ASP B 29 -4.836 0.326 13.513 1.00 0.00 N ATOM 1614 CA ASP B 29 -6.003 0.431 14.373 1.00 0.00 C ATOM 1615 C ASP B 29 -6.526 -0.972 14.687 1.00 0.00 C ATOM 1616 O ASP B 29 -6.952 -1.200 15.829 1.00 0.00 O ATOM 1617 CB ASP B 29 -7.125 1.211 13.685 1.00 0.00 C ATOM 1618 CG ASP B 29 -8.433 1.292 14.474 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -8.349 0.927 15.709 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -9.479 1.687 13.938 1.00 0.00 O ATOM 0 H ASP B 29 -4.835 -0.494 12.907 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.707 0.953 15.283 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.774 2.224 13.487 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.329 0.749 12.719 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.484 -1.869 13.686 1.00 0.00 N ATOM 1626 CA ALA B 30 -6.951 -3.235 13.856 1.00 0.00 C ATOM 1627 C ALA B 30 -7.044 -3.912 12.487 1.00 0.00 C ATOM 1628 O ALA B 30 -6.697 -5.098 12.391 1.00 0.00 O ATOM 1629 CB ALA B 30 -8.370 -3.227 14.428 1.00 0.00 C ATOM 0 H ALA B 30 -6.129 -1.661 12.753 1.00 0.00 H new ATOM 0 HA ALA B 30 -6.259 -3.756 14.518 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -8.717 -4.252 14.554 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -8.370 -2.722 15.394 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -9.035 -2.700 13.744 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.503 -3.157 11.472 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.652 -3.646 10.113 1.00 0.00 C ATOM 1637 C PRO B 31 -6.292 -3.762 9.419 1.00 0.00 C ATOM 1638 O PRO B 31 -6.177 -4.560 8.477 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.581 -2.652 9.436 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.546 -1.398 10.295 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.903 -1.761 11.623 1.00 0.00 C ATOM 0 HA PRO B 31 -8.069 -4.652 10.072 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.251 -2.439 8.419 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.594 -3.049 9.365 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -7.978 -0.611 9.799 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.554 -1.014 10.451 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -7.044 -1.124 11.834 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.603 -1.637 12.449 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.307 -2.977 9.892 1.00 0.00 N ATOM 1650 CA PHE B 32 -3.971 -2.991 9.321 1.00 0.00 C ATOM 1651 C PHE B 32 -3.293 -4.322 9.656 1.00 0.00 C ATOM 1652 O PHE B 32 -2.640 -4.891 8.769 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.164 -1.808 9.888 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.125 -0.578 8.990 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.035 -0.457 7.915 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.185 0.452 9.229 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.004 0.684 7.083 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.155 1.591 8.397 1.00 0.00 C ATOM 1659 CZ PHE B 32 -3.063 1.707 7.325 1.00 0.00 C ATOM 0 H PHE B 32 -5.423 -2.328 10.670 1.00 0.00 H new ATOM 0 HA PHE B 32 -4.023 -2.890 8.237 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.588 -1.525 10.851 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.142 -2.138 10.074 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -4.756 -1.239 7.729 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.489 0.366 10.050 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -4.700 0.773 6.262 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.436 2.375 8.582 1.00 0.00 H new ATOM 0 HZ PHE B 32 -3.038 2.579 6.689 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.458 -4.782 10.909 1.00 0.00 N ATOM 1670 CA LEU B 33 -2.866 -6.033 11.354 1.00 0.00 C ATOM 1671 C LEU B 33 -3.627 -7.203 10.728 1.00 0.00 C ATOM 1672 O LEU B 33 -2.974 -8.114 10.196 1.00 0.00 O ATOM 1673 CB LEU B 33 -2.808 -6.083 12.881 1.00 0.00 C ATOM 1674 CG LEU B 33 -1.962 -7.208 13.484 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -1.482 -6.841 14.889 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -2.723 -8.536 13.465 1.00 0.00 C ATOM 0 H LEU B 33 -4.000 -4.297 11.624 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.832 -6.108 11.016 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.420 -5.130 13.241 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -3.825 -6.177 13.261 1.00 0.00 H new ATOM 0 HG LEU B 33 -1.074 -7.337 12.865 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.884 -7.657 15.294 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -0.876 -5.936 14.842 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -2.343 -6.668 15.534 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -2.100 -9.318 13.899 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -3.640 -8.438 14.046 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -2.971 -8.798 12.437 1.00 0.00 H new ATOM 1688 N ASP B 34 -4.969 -7.158 10.802 1.00 0.00 N ATOM 1689 CA ASP B 34 -5.807 -8.207 10.246 1.00 0.00 C ATOM 1690 C ASP B 34 -5.548 -8.317 8.741 1.00 0.00 C ATOM 1691 O ASP B 34 -5.341 -9.440 8.260 1.00 0.00 O ATOM 1692 CB ASP B 34 -7.290 -7.892 10.448 1.00 0.00 C ATOM 1693 CG ASP B 34 -8.238 -9.069 10.218 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -8.042 -9.878 9.299 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -9.229 -9.141 11.042 1.00 0.00 O ATOM 0 H ASP B 34 -5.487 -6.399 11.245 1.00 0.00 H new ATOM 0 HA ASP B 34 -5.563 -9.139 10.756 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -7.433 -7.523 11.464 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -7.569 -7.083 9.773 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.565 -7.169 8.042 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.334 -7.138 6.608 1.00 0.00 C ATOM 1702 C ARG B 35 -3.958 -7.734 6.304 1.00 0.00 C ATOM 1703 O ARG B 35 -3.862 -8.561 5.387 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.397 -5.712 6.057 1.00 0.00 C ATOM 1705 CG ARG B 35 -6.845 -5.234 5.939 1.00 0.00 C ATOM 1706 CD ARG B 35 -6.909 -3.713 5.777 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.056 -3.289 4.646 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.501 -2.576 3.589 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -7.791 -2.220 3.542 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.663 -2.229 2.601 1.00 0.00 N ATOM 0 H ARG B 35 -5.738 -6.254 8.458 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.118 -7.723 6.128 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -4.841 -5.041 6.711 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -4.917 -5.675 5.079 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -7.322 -5.715 5.085 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -7.404 -5.533 6.826 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.939 -3.400 5.604 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -6.578 -3.227 6.695 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.070 -3.551 4.665 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.422 -2.487 4.298 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -8.143 -1.681 2.751 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.682 -2.504 2.645 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -6.007 -1.690 1.806 1.00 0.00 H new ATOM 1724 N LEU B 36 -2.935 -7.308 7.068 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.580 -7.796 6.883 1.00 0.00 C ATOM 1726 C LEU B 36 -1.555 -9.313 7.087 1.00 0.00 C ATOM 1727 O LEU B 36 -0.756 -9.985 6.419 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.608 -7.038 7.789 1.00 0.00 C ATOM 1729 CG LEU B 36 0.566 -7.849 8.342 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.589 -8.150 7.245 1.00 0.00 C ATOM 1731 CD2 LEU B 36 1.202 -7.145 9.542 1.00 0.00 C ATOM 0 H LEU B 36 -3.035 -6.624 7.818 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.244 -7.606 5.864 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.208 -6.191 7.231 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.169 -6.630 8.629 1.00 0.00 H new ATOM 0 HG LEU B 36 0.183 -8.806 8.697 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.413 -8.727 7.664 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.112 -8.723 6.450 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.972 -7.214 6.838 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.034 -7.742 9.916 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.568 -6.165 9.237 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.458 -7.026 10.330 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.417 -9.812 7.992 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.493 -11.234 8.278 1.00 0.00 C ATOM 1745 C ARG B 37 -2.987 -11.975 7.034 1.00 0.00 C ATOM 1746 O ARG B 37 -2.275 -12.872 6.559 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.439 -11.524 9.445 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.717 -12.284 10.560 1.00 0.00 C ATOM 1749 CD ARG B 37 -2.322 -11.341 11.700 1.00 0.00 C ATOM 1750 NE ARG B 37 -3.480 -11.115 12.594 1.00 0.00 N ATOM 1751 CZ ARG B 37 -3.532 -11.521 13.880 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -2.482 -12.171 14.400 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -4.619 -11.279 14.625 1.00 0.00 N ATOM 0 H ARG B 37 -3.067 -9.240 8.532 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.496 -11.576 8.555 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -3.837 -10.588 9.837 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -4.289 -12.109 9.092 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -3.363 -13.074 10.944 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -1.827 -12.767 10.158 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -1.493 -11.768 12.265 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -1.975 -10.391 11.294 1.00 0.00 H new ATOM 0 HE ARG B 37 -4.288 -10.622 12.215 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -1.659 -12.352 13.825 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -2.506 -12.484 15.370 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -5.415 -10.785 14.221 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -4.651 -11.589 15.596 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.178 -11.594 6.539 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.759 -12.218 5.363 1.00 0.00 C ATOM 1769 C ARG B 38 -3.839 -11.988 4.162 1.00 0.00 C ATOM 1770 O ARG B 38 -3.859 -12.814 3.238 1.00 0.00 O ATOM 1771 CB ARG B 38 -6.145 -11.651 5.051 1.00 0.00 C ATOM 1772 CG ARG B 38 -6.497 -10.506 6.003 1.00 0.00 C ATOM 1773 CD ARG B 38 -7.855 -9.896 5.649 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.000 -9.804 4.179 1.00 0.00 N ATOM 1775 CZ ARG B 38 -8.327 -8.671 3.520 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -8.538 -7.550 4.221 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -8.439 -8.670 2.184 1.00 0.00 N ATOM 0 H ARG B 38 -4.750 -10.853 6.945 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.866 -13.284 5.564 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -6.172 -11.294 4.022 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.892 -12.441 5.134 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.516 -10.874 7.029 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -5.725 -9.738 5.954 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -8.657 -10.507 6.064 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.945 -8.905 6.094 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.843 -10.649 3.629 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -8.451 -7.560 5.237 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -8.786 -6.686 3.739 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -8.277 -9.529 1.658 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -8.686 -7.810 1.694 1.00 0.00 H new ATOM 1791 N ASP B 39 -3.064 -10.890 4.199 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.147 -10.557 3.122 1.00 0.00 C ATOM 1793 C ASP B 39 -0.895 -11.430 3.237 1.00 0.00 C ATOM 1794 O ASP B 39 -0.276 -11.713 2.200 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.711 -9.093 3.201 1.00 0.00 C ATOM 1796 CG ASP B 39 -2.603 -8.111 2.439 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -3.839 -8.186 2.507 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -1.971 -7.227 1.743 1.00 0.00 O ATOM 0 H ASP B 39 -3.063 -10.223 4.971 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.661 -10.729 2.176 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -1.680 -8.795 4.249 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.694 -9.011 2.816 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.552 -11.832 4.474 1.00 0.00 N ATOM 1804 CA GLN B 40 0.614 -12.664 4.718 1.00 0.00 C ATOM 1805 C GLN B 40 0.434 -14.008 4.010 1.00 0.00 C ATOM 1806 O GLN B 40 1.367 -14.440 3.317 1.00 0.00 O ATOM 1807 CB GLN B 40 0.860 -12.861 6.215 1.00 0.00 C ATOM 1808 CG GLN B 40 1.979 -13.876 6.457 1.00 0.00 C ATOM 1809 CD GLN B 40 3.354 -13.216 6.344 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.638 -12.766 5.125 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.106 -13.120 7.300 1.00 0.00 N flip ATOM 0 H GLN B 40 -1.075 -11.587 5.315 1.00 0.00 H new ATOM 0 HA GLN B 40 1.493 -12.161 4.315 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.124 -11.907 6.673 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -0.056 -13.203 6.696 1.00 0.00 H new ATOM 0 HG2 GLN B 40 1.865 -14.319 7.446 1.00 0.00 H new ATOM 0 HG3 GLN B 40 1.901 -14.688 5.734 1.00 0.00 H new ATOM 0 HE21 GLN B 40 3.825 -13.488 8.209 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.016 -12.672 7.190 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.743 -14.632 4.194 1.00 0.00 N ATOM 1821 CA LYS B 41 -1.039 -15.914 3.576 1.00 0.00 C ATOM 1822 C LYS B 41 -1.116 -15.740 2.059 1.00 0.00 C ATOM 1823 O LYS B 41 -0.355 -16.413 1.348 1.00 0.00 O ATOM 1824 CB LYS B 41 -2.301 -16.525 4.190 1.00 0.00 C ATOM 1825 CG LYS B 41 -3.557 -16.017 3.479 1.00 0.00 C ATOM 1826 CD LYS B 41 -4.823 -16.496 4.194 1.00 0.00 C ATOM 1827 CE LYS B 41 -4.669 -16.389 5.712 1.00 0.00 C ATOM 1828 NZ LYS B 41 -4.029 -17.600 6.252 1.00 0.00 N ATOM 0 H LYS B 41 -1.499 -14.259 4.769 1.00 0.00 H new ATOM 0 HA LYS B 41 -0.238 -16.626 3.774 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -2.254 -17.612 4.121 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -2.352 -16.275 5.250 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -3.544 -14.928 3.445 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -3.563 -16.368 2.447 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -5.676 -15.901 3.869 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -5.032 -17.530 3.918 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -4.071 -15.512 5.962 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -5.647 -16.250 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.682 -18.074 6.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -3.793 -18.246 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -3.159 -17.337 6.758 1.00 0.00 H new ATOM 1842 N SER B 42 -2.018 -14.854 1.599 1.00 0.00 N ATOM 1843 CA SER B 42 -2.190 -14.596 0.179 1.00 0.00 C ATOM 1844 C SER B 42 -0.819 -14.379 -0.465 1.00 0.00 C ATOM 1845 O SER B 42 -0.437 -15.187 -1.323 1.00 0.00 O ATOM 1846 CB SER B 42 -3.089 -13.382 -0.065 1.00 0.00 C ATOM 1847 OG SER B 42 -4.274 -13.730 -0.775 1.00 0.00 O ATOM 0 H SER B 42 -2.635 -14.309 2.201 1.00 0.00 H new ATOM 0 HA SER B 42 -2.677 -15.460 -0.273 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.358 -12.932 0.891 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.537 -12.629 -0.628 1.00 0.00 H new ATOM 0 HG SER B 42 -4.822 -12.929 -0.909 1.00 0.00 H new ATOM 1853 N LEU B 43 -0.119 -13.311 -0.045 1.00 0.00 N ATOM 1854 CA LEU B 43 1.196 -12.993 -0.577 1.00 0.00 C ATOM 1855 C LEU B 43 2.083 -14.238 -0.507 1.00 0.00 C ATOM 1856 O LEU B 43 2.604 -14.650 -1.554 1.00 0.00 O ATOM 1857 CB LEU B 43 1.785 -11.778 0.141 1.00 0.00 C ATOM 1858 CG LEU B 43 3.188 -11.353 -0.300 1.00 0.00 C ATOM 1859 CD1 LEU B 43 3.120 -10.336 -1.441 1.00 0.00 C ATOM 1860 CD2 LEU B 43 4.000 -10.830 0.886 1.00 0.00 C ATOM 0 H LEU B 43 -0.453 -12.658 0.664 1.00 0.00 H new ATOM 0 HA LEU B 43 1.124 -12.710 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.110 -10.934 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.810 -11.989 1.210 1.00 0.00 H new ATOM 0 HG LEU B 43 3.706 -12.232 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU B 43 4.130 -10.051 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.605 -10.779 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.576 -9.452 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU B 43 4.993 -10.535 0.546 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.494 -9.968 1.321 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.093 -11.614 1.638 1.00 0.00 H new ATOM 1872 N ARG B 44 2.235 -14.802 0.704 1.00 0.00 N ATOM 1873 CA ARG B 44 3.051 -15.988 0.905 1.00 0.00 C ATOM 1874 C ARG B 44 2.812 -16.967 -0.246 1.00 0.00 C ATOM 1875 O ARG B 44 3.788 -17.342 -0.913 1.00 0.00 O ATOM 1876 CB ARG B 44 2.725 -16.679 2.229 1.00 0.00 C ATOM 1877 CG ARG B 44 3.366 -18.067 2.297 1.00 0.00 C ATOM 1878 CD ARG B 44 3.722 -18.437 3.738 1.00 0.00 C ATOM 1879 NE ARG B 44 5.011 -19.165 3.768 1.00 0.00 N ATOM 1880 CZ ARG B 44 5.183 -20.420 3.300 1.00 0.00 C ATOM 1881 NH1 ARG B 44 4.135 -21.064 2.769 1.00 0.00 N ATOM 1882 NH2 ARG B 44 6.383 -21.012 3.365 1.00 0.00 N ATOM 0 H ARG B 44 1.797 -14.446 1.554 1.00 0.00 H new ATOM 0 HA ARG B 44 4.096 -15.678 0.933 1.00 0.00 H new ATOM 0 HB2 ARG B 44 3.082 -16.069 3.059 1.00 0.00 H new ATOM 0 HB3 ARG B 44 1.644 -16.768 2.340 1.00 0.00 H new ATOM 0 HG2 ARG B 44 2.681 -18.808 1.886 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.264 -18.087 1.680 1.00 0.00 H new ATOM 0 HD2 ARG B 44 3.789 -17.536 4.348 1.00 0.00 H new ATOM 0 HD3 ARG B 44 2.935 -19.056 4.169 1.00 0.00 H new ATOM 0 HE ARG B 44 5.820 -18.689 4.167 1.00 0.00 H new ATOM 0 HH11 ARG B 44 3.225 -20.606 2.723 1.00 0.00 H new ATOM 0 HH12 ARG B 44 4.247 -22.012 2.411 1.00 0.00 H new ATOM 0 HH21 ARG B 44 7.176 -20.515 3.770 1.00 0.00 H new ATOM 0 HH22 ARG B 44 6.504 -21.960 3.009 1.00 0.00 H new ATOM 1896 N GLY B 45 1.541 -17.354 -0.453 1.00 0.00 N ATOM 1897 CA GLY B 45 1.181 -18.281 -1.513 1.00 0.00 C ATOM 1898 C GLY B 45 1.772 -17.789 -2.836 1.00 0.00 C ATOM 1899 O GLY B 45 2.403 -18.595 -3.536 1.00 0.00 O ATOM 0 H GLY B 45 0.752 -17.032 0.107 1.00 0.00 H new ATOM 0 HA2 GLY B 45 1.555 -19.278 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY B 45 0.097 -18.358 -1.592 1.00 0.00 H new ATOM 1903 N ARG B 46 1.561 -16.498 -3.147 1.00 0.00 N ATOM 1904 CA ARG B 46 2.069 -15.909 -4.374 1.00 0.00 C ATOM 1905 C ARG B 46 3.584 -16.108 -4.440 1.00 0.00 C ATOM 1906 O ARG B 46 4.044 -16.853 -5.318 1.00 0.00 O ATOM 1907 CB ARG B 46 1.753 -14.413 -4.455 1.00 0.00 C ATOM 1908 CG ARG B 46 1.113 -14.060 -5.798 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.392 -14.337 -5.777 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.115 -13.258 -6.485 1.00 0.00 N ATOM 1911 CZ ARG B 46 -1.536 -13.342 -7.766 1.00 0.00 C ATOM 1912 NH1 ARG B 46 -1.294 -14.464 -8.457 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -2.186 -12.318 -8.337 1.00 0.00 N ATOM 0 H ARG B 46 1.039 -15.850 -2.556 1.00 0.00 H new ATOM 0 HA ARG B 46 1.582 -16.404 -5.214 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.080 -14.135 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG B 46 2.668 -13.837 -4.322 1.00 0.00 H new ATOM 0 HG2 ARG B 46 1.290 -13.008 -6.024 1.00 0.00 H new ATOM 0 HG3 ARG B 46 1.582 -14.640 -6.592 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.600 -15.297 -6.250 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -0.743 -14.406 -4.747 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.308 -12.397 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -0.799 -15.238 -8.015 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -1.605 -14.544 -9.425 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -2.366 -11.467 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -2.500 -12.390 -9.305 1.00 0.00 H new ATOM 1927 N GLY B 47 4.319 -15.448 -3.528 1.00 0.00 N ATOM 1928 CA GLY B 47 5.768 -15.551 -3.484 1.00 0.00 C ATOM 1929 C GLY B 47 6.176 -17.014 -3.665 1.00 0.00 C ATOM 1930 O GLY B 47 7.243 -17.261 -4.245 1.00 0.00 O ATOM 0 H GLY B 47 3.921 -14.838 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY B 47 6.212 -14.938 -4.268 1.00 0.00 H new ATOM 0 HA3 GLY B 47 6.142 -15.172 -2.533 1.00 0.00 H new ATOM 1934 N SER B 48 5.331 -17.940 -3.176 1.00 0.00 N ATOM 1935 CA SER B 48 5.603 -19.364 -3.285 1.00 0.00 C ATOM 1936 C SER B 48 5.489 -19.790 -4.750 1.00 0.00 C ATOM 1937 O SER B 48 6.496 -20.246 -5.311 1.00 0.00 O ATOM 1938 CB SER B 48 4.646 -20.184 -2.417 1.00 0.00 C ATOM 1939 OG SER B 48 5.290 -21.314 -1.835 1.00 0.00 O ATOM 0 H SER B 48 4.456 -17.716 -2.703 1.00 0.00 H new ATOM 0 HA SER B 48 6.615 -19.552 -2.925 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.240 -19.551 -1.628 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.804 -20.519 -3.022 1.00 0.00 H new ATOM 0 HG SER B 48 4.647 -21.811 -1.287 1.00 0.00 H new ATOM 1945 N THR B 49 4.285 -19.636 -5.330 1.00 0.00 N ATOM 1946 CA THR B 49 4.046 -20.002 -6.715 1.00 0.00 C ATOM 1947 C THR B 49 5.229 -19.544 -7.572 1.00 0.00 C ATOM 1948 O THR B 49 5.952 -20.408 -8.090 1.00 0.00 O ATOM 1949 CB THR B 49 2.709 -19.400 -7.156 1.00 0.00 C ATOM 1950 OG1 THR B 49 1.769 -20.448 -6.935 1.00 0.00 O ATOM 1951 CG2 THR B 49 2.646 -19.156 -8.664 1.00 0.00 C ATOM 0 H THR B 49 3.468 -19.259 -4.850 1.00 0.00 H new ATOM 0 HA THR B 49 3.973 -21.083 -6.836 1.00 0.00 H new ATOM 0 HB THR B 49 2.542 -18.460 -6.629 1.00 0.00 H new ATOM 0 HG1 THR B 49 0.874 -20.144 -7.193 1.00 0.00 H new ATOM 0 HG21 THR B 49 1.677 -18.729 -8.923 1.00 0.00 H new ATOM 0 HG22 THR B 49 3.437 -18.465 -8.954 1.00 0.00 H new ATOM 0 HG23 THR B 49 2.779 -20.101 -9.191 1.00 0.00 H new ATOM 1959 N LEU B 50 5.401 -18.216 -7.700 1.00 0.00 N ATOM 1960 CA LEU B 50 6.485 -17.653 -8.485 1.00 0.00 C ATOM 1961 C LEU B 50 7.821 -18.175 -7.951 1.00 0.00 C ATOM 1962 O LEU B 50 8.651 -18.610 -8.764 1.00 0.00 O ATOM 1963 CB LEU B 50 6.390 -16.126 -8.513 1.00 0.00 C ATOM 1964 CG LEU B 50 5.920 -15.507 -9.831 1.00 0.00 C ATOM 1965 CD1 LEU B 50 5.277 -14.139 -9.595 1.00 0.00 C ATOM 1966 CD2 LEU B 50 7.065 -15.435 -10.842 1.00 0.00 C ATOM 0 H LEU B 50 4.795 -17.521 -7.264 1.00 0.00 H new ATOM 0 HA LEU B 50 6.408 -17.974 -9.524 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.709 -15.810 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU B 50 7.371 -15.716 -8.272 1.00 0.00 H new ATOM 0 HG LEU B 50 5.154 -16.154 -10.258 1.00 0.00 H new ATOM 0 HD11 LEU B 50 4.952 -13.721 -10.548 1.00 0.00 H new ATOM 0 HD12 LEU B 50 4.417 -14.250 -8.935 1.00 0.00 H new ATOM 0 HD13 LEU B 50 6.004 -13.470 -9.134 1.00 0.00 H new ATOM 0 HD21 LEU B 50 6.704 -14.991 -11.770 1.00 0.00 H new ATOM 0 HD22 LEU B 50 7.871 -14.823 -10.436 1.00 0.00 H new ATOM 0 HD23 LEU B 50 7.438 -16.440 -11.041 1.00 0.00 H new ATOM 1978 N GLY B 51 7.998 -18.125 -6.619 1.00 0.00 N ATOM 1979 CA GLY B 51 9.221 -18.590 -5.987 1.00 0.00 C ATOM 1980 C GLY B 51 10.369 -17.648 -6.351 1.00 0.00 C ATOM 1981 O GLY B 51 11.518 -18.111 -6.406 1.00 0.00 O ATOM 0 H GLY B 51 7.301 -17.764 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY B 51 9.094 -18.625 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY B 51 9.450 -19.604 -6.314 1.00 0.00 H new ATOM 1985 N LEU B 52 10.043 -16.365 -6.591 1.00 0.00 N ATOM 1986 CA LEU B 52 11.040 -15.370 -6.946 1.00 0.00 C ATOM 1987 C LEU B 52 11.861 -15.012 -5.706 1.00 0.00 C ATOM 1988 O LEU B 52 12.721 -15.813 -5.316 1.00 0.00 O ATOM 1989 CB LEU B 52 10.378 -14.163 -7.616 1.00 0.00 C ATOM 1990 CG LEU B 52 10.193 -14.256 -9.131 1.00 0.00 C ATOM 1991 CD1 LEU B 52 9.276 -13.141 -9.640 1.00 0.00 C ATOM 1992 CD2 LEU B 52 11.543 -14.260 -9.851 1.00 0.00 C ATOM 0 H LEU B 52 9.090 -16.004 -6.542 1.00 0.00 H new ATOM 0 HA LEU B 52 11.735 -15.773 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU B 52 9.400 -14.010 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU B 52 10.975 -13.278 -7.396 1.00 0.00 H new ATOM 0 HG LEU B 52 9.706 -15.204 -9.357 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.161 -13.229 -10.720 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.300 -13.226 -9.163 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.714 -12.172 -9.400 1.00 0.00 H new ATOM 0 HD21 LEU B 52 11.381 -14.327 -10.927 1.00 0.00 H new ATOM 0 HD22 LEU B 52 12.081 -13.340 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU B 52 12.130 -15.116 -9.518 1.00 0.00 H new ATOM 2004 N ASN B 53 11.584 -13.832 -5.120 1.00 0.00 N ATOM 2005 CA ASN B 53 12.292 -13.374 -3.937 1.00 0.00 C ATOM 2006 C ASN B 53 11.602 -12.125 -3.386 1.00 0.00 C ATOM 2007 O ASN B 53 11.924 -11.021 -3.849 1.00 0.00 O ATOM 2008 CB ASN B 53 13.740 -13.007 -4.268 1.00 0.00 C ATOM 2009 CG ASN B 53 14.720 -13.932 -3.542 1.00 0.00 C ATOM 2010 OD1 ASN B 53 15.556 -14.586 -4.142 1.00 0.00 O ATOM 2011 ND2 ASN B 53 14.569 -13.949 -2.221 1.00 0.00 N ATOM 0 H ASN B 53 10.871 -13.186 -5.457 1.00 0.00 H new ATOM 0 HA ASN B 53 12.283 -14.182 -3.206 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.899 -13.075 -5.344 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.931 -11.973 -3.982 1.00 0.00 H new ATOM 0 HD21 ASN B 53 15.174 -14.535 -1.646 1.00 0.00 H new ATOM 0 HD22 ASN B 53 13.848 -13.376 -1.783 1.00 0.00 H new ATOM 2018 N ILE B 54 10.681 -12.320 -2.426 1.00 0.00 N ATOM 2019 CA ILE B 54 9.954 -11.217 -1.820 1.00 0.00 C ATOM 2020 C ILE B 54 10.924 -10.068 -1.535 1.00 0.00 C ATOM 2021 O ILE B 54 10.537 -8.907 -1.731 1.00 0.00 O ATOM 2022 CB ILE B 54 9.185 -11.694 -0.587 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.732 -12.017 -0.938 1.00 0.00 C ATOM 2024 CG2 ILE B 54 9.288 -10.675 0.551 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.657 -13.052 -2.062 1.00 0.00 C ATOM 0 H ILE B 54 10.430 -13.238 -2.060 1.00 0.00 H new ATOM 0 HA ILE B 54 9.200 -10.835 -2.508 1.00 0.00 H new ATOM 0 HB ILE B 54 9.643 -12.618 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE B 54 7.216 -12.395 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE B 54 7.216 -11.106 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE B 54 8.733 -11.038 1.416 1.00 0.00 H new ATOM 0 HG22 ILE B 54 10.335 -10.538 0.823 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.870 -9.722 0.225 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.613 -13.264 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.152 -12.661 -2.951 1.00 0.00 H new ATOM 0 HD13 ILE B 54 8.152 -13.970 -1.745 1.00 0.00 H new ATOM 2037 N GLU B 55 12.145 -10.410 -1.085 1.00 0.00 N ATOM 2038 CA GLU B 55 13.158 -9.415 -0.777 1.00 0.00 C ATOM 2039 C GLU B 55 13.508 -8.638 -2.047 1.00 0.00 C ATOM 2040 O GLU B 55 13.313 -7.413 -2.062 1.00 0.00 O ATOM 2041 CB GLU B 55 14.406 -10.054 -0.164 1.00 0.00 C ATOM 2042 CG GLU B 55 14.667 -9.510 1.242 1.00 0.00 C ATOM 2043 CD GLU B 55 15.356 -10.559 2.117 1.00 0.00 C ATOM 2044 OE1 GLU B 55 16.191 -11.323 1.497 1.00 0.00 O ATOM 2045 OE2 GLU B 55 15.092 -10.628 3.326 1.00 0.00 O ATOM 0 H GLU B 55 12.443 -11.373 -0.930 1.00 0.00 H new ATOM 0 HA GLU B 55 12.756 -8.727 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU B 55 14.281 -11.136 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU B 55 15.269 -9.857 -0.800 1.00 0.00 H new ATOM 0 HG2 GLU B 55 15.289 -8.617 1.181 1.00 0.00 H new ATOM 0 HG3 GLU B 55 13.725 -9.211 1.701 1.00 0.00 H new ATOM 2052 N ALA B 56 14.007 -9.352 -3.072 1.00 0.00 N ATOM 2053 CA ALA B 56 14.379 -8.733 -4.333 1.00 0.00 C ATOM 2054 C ALA B 56 13.216 -7.876 -4.838 1.00 0.00 C ATOM 2055 O ALA B 56 13.429 -6.680 -5.084 1.00 0.00 O ATOM 2056 CB ALA B 56 14.603 -9.816 -5.391 1.00 0.00 C ATOM 0 H ALA B 56 14.158 -10.360 -3.040 1.00 0.00 H new ATOM 0 HA ALA B 56 15.279 -8.139 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.882 -9.349 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.402 -10.483 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.685 -10.388 -5.526 1.00 0.00 H new ATOM 2062 N ALA B 57 12.029 -8.493 -4.978 1.00 0.00 N ATOM 2063 CA ALA B 57 10.847 -7.791 -5.448 1.00 0.00 C ATOM 2064 C ALA B 57 10.605 -6.562 -4.569 1.00 0.00 C ATOM 2065 O ALA B 57 10.202 -5.521 -5.108 1.00 0.00 O ATOM 2066 CB ALA B 57 9.617 -8.685 -5.283 1.00 0.00 C ATOM 0 H ALA B 57 11.875 -9.479 -4.769 1.00 0.00 H new ATOM 0 HA ALA B 57 11.001 -7.517 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.732 -8.155 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.750 -9.598 -5.864 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.491 -8.940 -4.231 1.00 0.00 H new ATOM 2072 N THR B 58 10.853 -6.705 -3.255 1.00 0.00 N ATOM 2073 CA THR B 58 10.663 -5.614 -2.313 1.00 0.00 C ATOM 2074 C THR B 58 11.641 -4.485 -2.644 1.00 0.00 C ATOM 2075 O THR B 58 11.255 -3.314 -2.512 1.00 0.00 O ATOM 2076 CB THR B 58 10.825 -6.161 -0.894 1.00 0.00 C ATOM 2077 OG1 THR B 58 9.499 -6.504 -0.500 1.00 0.00 O ATOM 2078 CG2 THR B 58 11.242 -5.079 0.106 1.00 0.00 C ATOM 0 H THR B 58 11.186 -7.571 -2.832 1.00 0.00 H new ATOM 0 HA THR B 58 9.661 -5.191 -2.386 1.00 0.00 H new ATOM 0 HB THR B 58 11.566 -6.960 -0.896 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.976 -6.749 -1.292 1.00 0.00 H new ATOM 0 HG21 THR B 58 11.343 -5.520 1.098 1.00 0.00 H new ATOM 0 HG22 THR B 58 12.196 -4.650 -0.199 1.00 0.00 H new ATOM 0 HG23 THR B 58 10.484 -4.296 0.132 1.00 0.00 H new ATOM 2086 N HIS B 59 12.865 -4.851 -3.061 1.00 0.00 N ATOM 2087 CA HIS B 59 13.885 -3.875 -3.407 1.00 0.00 C ATOM 2088 C HIS B 59 13.462 -3.128 -4.673 1.00 0.00 C ATOM 2089 O HIS B 59 13.186 -1.923 -4.583 1.00 0.00 O ATOM 2090 CB HIS B 59 15.257 -4.541 -3.542 1.00 0.00 C ATOM 2091 CG HIS B 59 15.860 -4.973 -2.227 1.00 0.00 C ATOM 2092 ND1 HIS B 59 16.768 -6.014 -2.126 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.678 -4.497 -0.962 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.109 -6.148 -0.853 1.00 0.00 C ATOM 2095 NE2 HIS B 59 16.432 -5.208 -0.133 1.00 0.00 N ATOM 0 H HIS B 59 13.162 -5.821 -3.163 1.00 0.00 H new ATOM 0 HA HIS B 59 13.982 -3.143 -2.605 1.00 0.00 H new ATOM 0 HB2 HIS B 59 15.165 -5.411 -4.192 1.00 0.00 H new ATOM 0 HB3 HIS B 59 15.940 -3.848 -4.033 1.00 0.00 H new ATOM 0 HD2 HIS B 59 15.030 -3.680 -0.682 1.00 0.00 H new ATOM 0 HE1 HIS B 59 17.802 -6.874 -0.455 1.00 0.00 H new ATOM 0 HE2 HIS B 59 16.495 -5.074 0.876 1.00 0.00 H new ATOM 2103 N VAL B 60 13.418 -3.846 -5.810 1.00 0.00 N ATOM 2104 CA VAL B 60 13.032 -3.255 -7.080 1.00 0.00 C ATOM 2105 C VAL B 60 11.728 -2.475 -6.899 1.00 0.00 C ATOM 2106 O VAL B 60 11.641 -1.346 -7.403 1.00 0.00 O ATOM 2107 CB VAL B 60 12.935 -4.340 -8.154 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.894 -3.972 -9.213 1.00 0.00 C ATOM 2109 CG2 VAL B 60 14.301 -4.600 -8.795 1.00 0.00 C ATOM 0 H VAL B 60 13.648 -4.838 -5.863 1.00 0.00 H new ATOM 0 HA VAL B 60 13.790 -2.548 -7.418 1.00 0.00 H new ATOM 0 HB VAL B 60 12.610 -5.262 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.845 -4.760 -9.964 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.918 -3.860 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL B 60 12.176 -3.033 -9.690 1.00 0.00 H new ATOM 0 HG21 VAL B 60 14.205 -5.375 -9.555 1.00 0.00 H new ATOM 0 HG22 VAL B 60 14.667 -3.683 -9.257 1.00 0.00 H new ATOM 0 HG23 VAL B 60 15.005 -4.927 -8.030 1.00 0.00 H new ATOM 2119 N GLY B 61 10.756 -3.083 -6.195 1.00 0.00 N ATOM 2120 CA GLY B 61 9.471 -2.450 -5.951 1.00 0.00 C ATOM 2121 C GLY B 61 9.693 -1.107 -5.253 1.00 0.00 C ATOM 2122 O GLY B 61 9.073 -0.117 -5.668 1.00 0.00 O ATOM 0 H GLY B 61 10.848 -4.014 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.942 -2.301 -6.892 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.846 -3.095 -5.333 1.00 0.00 H new ATOM 2126 N LYS B 62 10.559 -1.098 -4.224 1.00 0.00 N ATOM 2127 CA LYS B 62 10.857 0.112 -3.479 1.00 0.00 C ATOM 2128 C LYS B 62 11.289 1.212 -4.451 1.00 0.00 C ATOM 2129 O LYS B 62 10.956 2.381 -4.204 1.00 0.00 O ATOM 2130 CB LYS B 62 11.883 -0.175 -2.379 1.00 0.00 C ATOM 2131 CG LYS B 62 11.313 0.156 -0.998 1.00 0.00 C ATOM 2132 CD LYS B 62 12.021 1.368 -0.389 1.00 0.00 C ATOM 2133 CE LYS B 62 12.020 2.550 -1.360 1.00 0.00 C ATOM 2134 NZ LYS B 62 12.345 3.799 -0.653 1.00 0.00 N ATOM 0 H LYS B 62 11.060 -1.924 -3.898 1.00 0.00 H new ATOM 0 HA LYS B 62 9.965 0.472 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS B 62 12.175 -1.225 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.784 0.413 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS B 62 10.245 0.358 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS B 62 11.425 -0.705 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.526 1.655 0.539 1.00 0.00 H new ATOM 0 HD3 LYS B 62 13.047 1.104 -0.134 1.00 0.00 H new ATOM 0 HE2 LYS B 62 12.745 2.376 -2.155 1.00 0.00 H new ATOM 0 HE3 LYS B 62 11.043 2.638 -1.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.503 4.409 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 12.652 3.580 0.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 13.110 4.293 -1.155 1.00 0.00 H new ATOM 2148 N GLN B 63 12.010 0.823 -5.518 1.00 0.00 N ATOM 2149 CA GLN B 63 12.480 1.769 -6.514 1.00 0.00 C ATOM 2150 C GLN B 63 11.315 2.169 -7.422 1.00 0.00 C ATOM 2151 O GLN B 63 11.272 3.333 -7.847 1.00 0.00 O ATOM 2152 CB GLN B 63 13.640 1.196 -7.332 1.00 0.00 C ATOM 2153 CG GLN B 63 14.985 1.679 -6.789 1.00 0.00 C ATOM 2154 CD GLN B 63 15.830 0.505 -6.289 1.00 0.00 C ATOM 2155 OE1 GLN B 63 15.156 -0.369 -5.548 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 17.015 0.400 -6.560 1.00 0.00 N flip ATOM 0 H GLN B 63 12.274 -0.145 -5.702 1.00 0.00 H new ATOM 0 HA GLN B 63 12.859 2.654 -6.003 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.604 0.107 -7.307 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.537 1.495 -8.375 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.525 2.214 -7.570 1.00 0.00 H new ATOM 0 HG3 GLN B 63 14.820 2.385 -5.975 1.00 0.00 H new ATOM 0 HE21 GLN B 63 17.471 1.108 -7.135 1.00 0.00 H new ATOM 0 HE22 GLN B 63 17.549 -0.396 -6.212 1.00 0.00 H new ATOM 2165 N ILE B 64 10.410 1.213 -7.697 1.00 0.00 N ATOM 2166 CA ILE B 64 9.258 1.464 -8.546 1.00 0.00 C ATOM 2167 C ILE B 64 8.339 2.480 -7.863 1.00 0.00 C ATOM 2168 O ILE B 64 7.819 3.365 -8.558 1.00 0.00 O ATOM 2169 CB ILE B 64 8.562 0.151 -8.906 1.00 0.00 C ATOM 2170 CG1 ILE B 64 9.129 -0.433 -10.202 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.045 0.335 -8.977 1.00 0.00 C ATOM 2172 CD1 ILE B 64 8.434 0.170 -11.425 1.00 0.00 C ATOM 0 H ILE B 64 10.465 0.260 -7.337 1.00 0.00 H new ATOM 0 HA ILE B 64 9.571 1.902 -9.494 1.00 0.00 H new ATOM 0 HB ILE B 64 8.762 -0.569 -8.113 1.00 0.00 H new ATOM 0 HG12 ILE B 64 10.200 -0.238 -10.255 1.00 0.00 H new ATOM 0 HG13 ILE B 64 9.002 -1.516 -10.204 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.575 -0.614 -9.235 1.00 0.00 H new ATOM 0 HG22 ILE B 64 6.674 0.673 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE B 64 6.804 1.078 -9.738 1.00 0.00 H new ATOM 0 HD11 ILE B 64 8.855 -0.262 -12.333 1.00 0.00 H new ATOM 0 HD12 ILE B 64 7.367 -0.048 -11.381 1.00 0.00 H new ATOM 0 HD13 ILE B 64 8.584 1.250 -11.433 1.00 0.00 H new ATOM 2184 N VAL B 65 8.160 2.335 -6.538 1.00 0.00 N ATOM 2185 CA VAL B 65 7.313 3.234 -5.773 1.00 0.00 C ATOM 2186 C VAL B 65 8.011 4.588 -5.629 1.00 0.00 C ATOM 2187 O VAL B 65 7.338 5.617 -5.784 1.00 0.00 O ATOM 2188 CB VAL B 65 6.957 2.598 -4.427 1.00 0.00 C ATOM 2189 CG1 VAL B 65 8.218 2.278 -3.622 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.012 3.497 -3.628 1.00 0.00 C ATOM 0 H VAL B 65 8.597 1.598 -5.984 1.00 0.00 H new ATOM 0 HA VAL B 65 6.372 3.408 -6.294 1.00 0.00 H new ATOM 0 HB VAL B 65 6.439 1.660 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.937 1.827 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.841 1.582 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL B 65 8.775 3.197 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL B 65 5.775 3.021 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL B 65 6.493 4.458 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL B 65 5.094 3.654 -4.194 1.00 0.00 H new ATOM 2200 N GLU B 66 9.324 4.560 -5.339 1.00 0.00 N ATOM 2201 CA GLU B 66 10.102 5.776 -5.177 1.00 0.00 C ATOM 2202 C GLU B 66 10.168 6.517 -6.514 1.00 0.00 C ATOM 2203 O GLU B 66 10.258 7.754 -6.499 1.00 0.00 O ATOM 2204 CB GLU B 66 11.506 5.479 -4.646 1.00 0.00 C ATOM 2205 CG GLU B 66 11.602 5.788 -3.150 1.00 0.00 C ATOM 2206 CD GLU B 66 13.031 6.176 -2.763 1.00 0.00 C ATOM 2207 OE1 GLU B 66 13.836 5.184 -2.583 1.00 0.00 O ATOM 2208 OE2 GLU B 66 13.338 7.372 -2.641 1.00 0.00 O ATOM 0 H GLU B 66 9.859 3.701 -5.214 1.00 0.00 H new ATOM 0 HA GLU B 66 9.610 6.409 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU B 66 11.751 4.431 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU B 66 12.239 6.074 -5.192 1.00 0.00 H new ATOM 0 HG2 GLU B 66 10.920 6.600 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU B 66 11.289 4.917 -2.574 1.00 0.00 H new ATOM 2215 N LYS B 67 10.121 5.761 -7.625 1.00 0.00 N ATOM 2216 CA LYS B 67 10.175 6.341 -8.956 1.00 0.00 C ATOM 2217 C LYS B 67 8.811 6.941 -9.301 1.00 0.00 C ATOM 2218 O LYS B 67 8.772 7.919 -10.063 1.00 0.00 O ATOM 2219 CB LYS B 67 10.669 5.310 -9.971 1.00 0.00 C ATOM 2220 CG LYS B 67 10.218 5.674 -11.387 1.00 0.00 C ATOM 2221 CD LYS B 67 10.851 6.989 -11.843 1.00 0.00 C ATOM 2222 CE LYS B 67 11.571 6.816 -13.181 1.00 0.00 C ATOM 2223 NZ LYS B 67 13.029 6.781 -12.982 1.00 0.00 N ATOM 0 H LYS B 67 10.045 4.744 -7.615 1.00 0.00 H new ATOM 0 HA LYS B 67 10.899 7.155 -8.988 1.00 0.00 H new ATOM 0 HB2 LYS B 67 11.757 5.252 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.289 4.323 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS B 67 10.493 4.876 -12.076 1.00 0.00 H new ATOM 0 HG3 LYS B 67 9.132 5.760 -11.416 1.00 0.00 H new ATOM 0 HD2 LYS B 67 10.080 7.754 -11.937 1.00 0.00 H new ATOM 0 HD3 LYS B 67 11.556 7.338 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS B 67 11.242 5.895 -13.661 1.00 0.00 H new ATOM 0 HE3 LYS B 67 11.309 7.636 -13.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 13.502 6.663 -13.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 13.341 7.671 -12.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 13.276 5.984 -12.361 1.00 0.00 H new ATOM 2237 N ILE B 68 7.736 6.353 -8.745 1.00 0.00 N ATOM 2238 CA ILE B 68 6.385 6.826 -8.993 1.00 0.00 C ATOM 2239 C ILE B 68 6.131 8.088 -8.167 1.00 0.00 C ATOM 2240 O ILE B 68 5.626 9.070 -8.729 1.00 0.00 O ATOM 2241 CB ILE B 68 5.371 5.710 -8.738 1.00 0.00 C ATOM 2242 CG1 ILE B 68 4.619 5.349 -10.021 1.00 0.00 C ATOM 2243 CG2 ILE B 68 4.419 6.083 -7.601 1.00 0.00 C ATOM 2244 CD1 ILE B 68 4.268 3.860 -10.051 1.00 0.00 C ATOM 0 H ILE B 68 7.790 5.548 -8.121 1.00 0.00 H new ATOM 0 HA ILE B 68 6.265 7.101 -10.041 1.00 0.00 H new ATOM 0 HB ILE B 68 5.915 4.820 -8.422 1.00 0.00 H new ATOM 0 HG12 ILE B 68 3.707 5.943 -10.092 1.00 0.00 H new ATOM 0 HG13 ILE B 68 5.230 5.600 -10.888 1.00 0.00 H new ATOM 0 HG21 ILE B 68 3.708 5.272 -7.441 1.00 0.00 H new ATOM 0 HG22 ILE B 68 4.991 6.251 -6.688 1.00 0.00 H new ATOM 0 HG23 ILE B 68 3.878 6.993 -7.863 1.00 0.00 H new ATOM 0 HD11 ILE B 68 3.734 3.631 -10.973 1.00 0.00 H new ATOM 0 HD12 ILE B 68 5.183 3.269 -10.005 1.00 0.00 H new ATOM 0 HD13 ILE B 68 3.636 3.618 -9.196 1.00 0.00 H new ATOM 2256 N LEU B 69 6.482 8.039 -6.869 1.00 0.00 N ATOM 2257 CA LEU B 69 6.293 9.170 -5.977 1.00 0.00 C ATOM 2258 C LEU B 69 7.217 10.311 -6.404 1.00 0.00 C ATOM 2259 O LEU B 69 6.843 11.477 -6.211 1.00 0.00 O ATOM 2260 CB LEU B 69 6.481 8.739 -4.520 1.00 0.00 C ATOM 2261 CG LEU B 69 7.929 8.612 -4.040 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.434 9.937 -3.466 1.00 0.00 C ATOM 2263 CD2 LEU B 69 8.076 7.461 -3.042 1.00 0.00 C ATOM 0 H LEU B 69 6.898 7.221 -6.425 1.00 0.00 H new ATOM 0 HA LEU B 69 5.272 9.544 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.969 9.457 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.987 7.778 -4.379 1.00 0.00 H new ATOM 0 HG LEU B 69 8.555 8.375 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.465 9.820 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.387 10.708 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.810 10.229 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU B 69 9.114 7.392 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.436 7.644 -2.179 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.783 6.526 -3.519 1.00 0.00 H new ATOM 2275 N LYS B 70 8.386 9.960 -6.969 1.00 0.00 N ATOM 2276 CA LYS B 70 9.352 10.949 -7.419 1.00 0.00 C ATOM 2277 C LYS B 70 8.705 11.839 -8.482 1.00 0.00 C ATOM 2278 O LYS B 70 9.046 13.031 -8.539 1.00 0.00 O ATOM 2279 CB LYS B 70 10.639 10.267 -7.888 1.00 0.00 C ATOM 2280 CG LYS B 70 11.557 11.260 -8.602 1.00 0.00 C ATOM 2281 CD LYS B 70 12.484 10.542 -9.584 1.00 0.00 C ATOM 2282 CE LYS B 70 11.876 10.506 -10.987 1.00 0.00 C ATOM 2283 NZ LYS B 70 12.351 11.649 -11.783 1.00 0.00 N ATOM 0 H LYS B 70 8.675 8.994 -7.120 1.00 0.00 H new ATOM 0 HA LYS B 70 9.646 11.598 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.159 9.836 -7.032 1.00 0.00 H new ATOM 0 HB3 LYS B 70 10.395 9.444 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS B 70 10.957 11.997 -9.136 1.00 0.00 H new ATOM 0 HG3 LYS B 70 12.151 11.804 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.449 11.048 -9.615 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.669 9.525 -9.238 1.00 0.00 H new ATOM 0 HE2 LYS B 70 12.145 9.573 -11.483 1.00 0.00 H new ATOM 0 HE3 LYS B 70 10.788 10.529 -10.919 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 11.929 11.610 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 12.073 12.536 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.387 11.610 -11.863 1.00 0.00 H new ATOM 2297 N GLU B 71 7.801 11.256 -9.288 1.00 0.00 N ATOM 2298 CA GLU B 71 7.116 11.993 -10.337 1.00 0.00 C ATOM 2299 C GLU B 71 5.969 12.799 -9.723 1.00 0.00 C ATOM 2300 O GLU B 71 5.486 13.732 -10.381 1.00 0.00 O ATOM 2301 CB GLU B 71 6.602 11.059 -11.435 1.00 0.00 C ATOM 2302 CG GLU B 71 7.331 9.714 -11.397 1.00 0.00 C ATOM 2303 CD GLU B 71 7.161 8.961 -12.717 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.042 8.332 -12.846 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.065 8.985 -13.565 1.00 0.00 O ATOM 0 H GLU B 71 7.535 10.273 -9.224 1.00 0.00 H new ATOM 0 HA GLU B 71 7.825 12.675 -10.805 1.00 0.00 H new ATOM 0 HB2 GLU B 71 5.531 10.900 -11.310 1.00 0.00 H new ATOM 0 HB3 GLU B 71 6.743 11.526 -12.410 1.00 0.00 H new ATOM 0 HG2 GLU B 71 8.391 9.876 -11.201 1.00 0.00 H new ATOM 0 HG3 GLU B 71 6.944 9.109 -10.577 1.00 0.00 H new