USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 384 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 0.0102 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.59 K(o=-0.59,f=-1.2) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.8!) USER MOD Single : A 20 SER OG : rot -110:sc= 0.693 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0104) USER MOD Single : A 23 MET CE :methyl -156:sc= -10.5! (180deg=-11.7!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -2.94! C(o=-2.9!,f=-4.6!) USER MOD Single : A 29 MET CE :methyl 168:sc= -1.68 (180deg=-1.84) USER MOD Single : A 33 ASN : amide:sc= 0.545 K(o=0.55,f=-2.9!) USER MOD Single : A 34 TYR OH : rot 162:sc= -1.83! USER MOD Single : A 35 ASN : amide:sc= -0.0198 X(o=-0.02,f=-0.1) USER MOD Single : A 37 ASN : amide:sc= -2.4! C(o=-2.4!,f=-5.5!) USER MOD Single : A 39 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.9) USER MOD Single : A 44 THR OG1 : rot -17:sc= 0.493 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0983 USER MOD Single : A 49 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.89) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00348) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc=-8.82e-05 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.292 18.579 10.947 1.00 0.00 N ATOM 2 CA GLY A 1 6.502 18.615 11.750 1.00 0.00 C ATOM 3 C GLY A 1 7.354 19.838 11.401 1.00 0.00 C ATOM 4 O GLY A 1 6.849 20.958 11.354 1.00 0.00 O ATOM 0 H1 GLY A 1 4.731 17.741 11.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.732 19.437 11.124 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.545 18.533 9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.240 18.639 12.808 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.080 17.705 11.585 1.00 0.00 H new ATOM 8 N SER A 2 8.633 19.580 11.165 1.00 0.00 N ATOM 9 CA SER A 2 9.560 20.645 10.823 1.00 0.00 C ATOM 10 C SER A 2 10.930 20.057 10.482 1.00 0.00 C ATOM 11 O SER A 2 11.534 19.366 11.302 1.00 0.00 O ATOM 12 CB SER A 2 9.685 21.655 11.965 1.00 0.00 C ATOM 13 OG SER A 2 10.272 22.879 11.533 1.00 0.00 O ATOM 0 H SER A 2 9.048 18.649 11.204 1.00 0.00 H new ATOM 0 HA SER A 2 9.170 21.170 9.951 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.698 21.854 12.383 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.289 21.226 12.764 1.00 0.00 H new ATOM 0 HG SER A 2 10.333 23.498 12.290 1.00 0.00 H new ATOM 18 N SER A 3 11.381 20.350 9.271 1.00 0.00 N ATOM 19 CA SER A 3 12.669 19.859 8.813 1.00 0.00 C ATOM 20 C SER A 3 13.014 20.481 7.459 1.00 0.00 C ATOM 21 O SER A 3 14.042 21.142 7.319 1.00 0.00 O ATOM 22 CB SER A 3 12.672 18.333 8.711 1.00 0.00 C ATOM 23 OG SER A 3 13.765 17.851 7.935 1.00 0.00 O ATOM 0 H SER A 3 10.877 20.922 8.593 1.00 0.00 H new ATOM 0 HA SER A 3 13.425 20.149 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.721 17.903 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.736 17.998 8.265 1.00 0.00 H new ATOM 0 HG SER A 3 13.732 16.872 7.895 1.00 0.00 H new ATOM 28 N GLY A 4 12.136 20.248 6.495 1.00 0.00 N ATOM 29 CA GLY A 4 12.334 20.778 5.156 1.00 0.00 C ATOM 30 C GLY A 4 12.623 19.654 4.159 1.00 0.00 C ATOM 31 O GLY A 4 13.405 18.749 4.446 1.00 0.00 O ATOM 0 H GLY A 4 11.285 19.699 6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.446 21.327 4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.162 21.487 5.160 1.00 0.00 H new ATOM 35 N SER A 5 11.974 19.747 3.007 1.00 0.00 N ATOM 36 CA SER A 5 12.151 18.750 1.966 1.00 0.00 C ATOM 37 C SER A 5 11.782 19.343 0.605 1.00 0.00 C ATOM 38 O SER A 5 11.185 20.416 0.533 1.00 0.00 O ATOM 39 CB SER A 5 11.309 17.504 2.248 1.00 0.00 C ATOM 40 OG SER A 5 12.100 16.424 2.736 1.00 0.00 O ATOM 0 H SER A 5 11.325 20.498 2.772 1.00 0.00 H new ATOM 0 HA SER A 5 13.199 18.452 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.536 17.746 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.800 17.196 1.335 1.00 0.00 H new ATOM 0 HG SER A 5 12.752 16.763 3.384 1.00 0.00 H new ATOM 45 N SER A 6 12.154 18.619 -0.441 1.00 0.00 N ATOM 46 CA SER A 6 11.869 19.060 -1.796 1.00 0.00 C ATOM 47 C SER A 6 10.365 19.276 -1.971 1.00 0.00 C ATOM 48 O SER A 6 9.559 18.610 -1.322 1.00 0.00 O ATOM 49 CB SER A 6 12.383 18.051 -2.824 1.00 0.00 C ATOM 50 OG SER A 6 11.735 16.787 -2.701 1.00 0.00 O ATOM 0 H SER A 6 12.650 17.730 -0.377 1.00 0.00 H new ATOM 0 HA SER A 6 12.387 20.004 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.224 18.444 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.458 17.921 -2.699 1.00 0.00 H new ATOM 0 HG SER A 6 12.089 16.171 -3.376 1.00 0.00 H new ATOM 55 N GLY A 7 10.031 20.208 -2.851 1.00 0.00 N ATOM 56 CA GLY A 7 8.638 20.520 -3.120 1.00 0.00 C ATOM 57 C GLY A 7 8.398 20.717 -4.618 1.00 0.00 C ATOM 58 O GLY A 7 8.548 21.823 -5.135 1.00 0.00 O ATOM 0 H GLY A 7 10.702 20.758 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.004 19.715 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.354 21.424 -2.581 1.00 0.00 H new ATOM 62 N PRO A 8 8.021 19.597 -5.291 1.00 0.00 N ATOM 63 CA PRO A 8 7.760 19.635 -6.721 1.00 0.00 C ATOM 64 C PRO A 8 6.417 20.306 -7.015 1.00 0.00 C ATOM 65 O PRO A 8 5.456 20.132 -6.267 1.00 0.00 O ATOM 66 CB PRO A 8 7.810 18.183 -7.169 1.00 0.00 C ATOM 67 CG PRO A 8 7.634 17.352 -5.908 1.00 0.00 C ATOM 68 CD PRO A 8 7.835 18.270 -4.713 1.00 0.00 C ATOM 0 HA PRO A 8 8.491 20.231 -7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.022 17.969 -7.891 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.758 17.957 -7.657 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.641 16.903 -5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.354 16.534 -5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.973 18.246 -4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.702 17.970 -4.124 1.00 0.00 H new ATOM 73 N SER A 9 6.394 21.058 -8.105 1.00 0.00 N ATOM 74 CA SER A 9 5.184 21.755 -8.507 1.00 0.00 C ATOM 75 C SER A 9 4.284 20.819 -9.315 1.00 0.00 C ATOM 76 O SER A 9 3.136 20.582 -8.943 1.00 0.00 O ATOM 77 CB SER A 9 5.516 23.007 -9.323 1.00 0.00 C ATOM 78 OG SER A 9 6.124 24.019 -8.524 1.00 0.00 O ATOM 0 H SER A 9 7.193 21.200 -8.722 1.00 0.00 H new ATOM 0 HA SER A 9 4.655 22.069 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.185 22.740 -10.141 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.604 23.399 -9.773 1.00 0.00 H new ATOM 0 HG SER A 9 6.322 24.801 -9.081 1.00 0.00 H new ATOM 83 N HIS A 10 4.840 20.311 -10.406 1.00 0.00 N ATOM 84 CA HIS A 10 4.101 19.405 -11.269 1.00 0.00 C ATOM 85 C HIS A 10 5.018 18.269 -11.726 1.00 0.00 C ATOM 86 O HIS A 10 5.798 18.433 -12.661 1.00 0.00 O ATOM 87 CB HIS A 10 3.470 20.164 -12.439 1.00 0.00 C ATOM 88 CG HIS A 10 4.472 20.832 -13.350 1.00 0.00 C ATOM 89 ND1 HIS A 10 4.893 20.270 -14.543 1.00 0.00 N ATOM 90 CD2 HIS A 10 5.131 22.021 -13.230 1.00 0.00 C ATOM 91 CE1 HIS A 10 5.766 21.091 -15.106 1.00 0.00 C ATOM 92 NE2 HIS A 10 5.913 22.175 -14.291 1.00 0.00 N ATOM 0 H HIS A 10 5.793 20.510 -10.712 1.00 0.00 H new ATOM 0 HA HIS A 10 3.277 18.959 -10.713 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.867 19.471 -13.025 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.792 20.921 -12.044 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.033 22.718 -12.411 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.273 20.931 -16.046 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.524 22.973 -14.468 1.00 0.00 H new ATOM 99 N SER A 11 4.892 17.140 -11.041 1.00 0.00 N ATOM 100 CA SER A 11 5.700 15.977 -11.365 1.00 0.00 C ATOM 101 C SER A 11 4.959 14.698 -10.967 1.00 0.00 C ATOM 102 O SER A 11 4.052 14.736 -10.138 1.00 0.00 O ATOM 103 CB SER A 11 7.061 16.040 -10.667 1.00 0.00 C ATOM 104 OG SER A 11 8.105 16.405 -11.567 1.00 0.00 O ATOM 0 H SER A 11 4.244 17.007 -10.265 1.00 0.00 H new ATOM 0 HA SER A 11 5.873 15.970 -12.441 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.017 16.761 -9.851 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.287 15.070 -10.224 1.00 0.00 H new ATOM 0 HG SER A 11 8.957 16.436 -11.084 1.00 0.00 H new ATOM 109 N LEU A 12 5.373 13.598 -11.578 1.00 0.00 N ATOM 110 CA LEU A 12 4.760 12.311 -11.299 1.00 0.00 C ATOM 111 C LEU A 12 5.843 11.315 -10.881 1.00 0.00 C ATOM 112 O LEU A 12 7.005 11.462 -11.256 1.00 0.00 O ATOM 113 CB LEU A 12 3.923 11.845 -12.492 1.00 0.00 C ATOM 114 CG LEU A 12 2.456 11.525 -12.199 1.00 0.00 C ATOM 115 CD1 LEU A 12 1.559 11.954 -13.362 1.00 0.00 C ATOM 116 CD2 LEU A 12 2.277 10.046 -11.852 1.00 0.00 C ATOM 0 H LEU A 12 6.126 13.572 -12.266 1.00 0.00 H new ATOM 0 HA LEU A 12 4.064 12.394 -10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.959 12.618 -13.260 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.391 10.955 -12.913 1.00 0.00 H new ATOM 0 HG LEU A 12 2.148 12.100 -11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.521 11.715 -13.128 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.658 13.028 -13.521 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.858 11.425 -14.267 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.225 9.845 -11.648 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.608 9.433 -12.690 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.870 9.805 -10.970 1.00 0.00 H new ATOM 127 N GLN A 13 5.424 10.322 -10.110 1.00 0.00 N ATOM 128 CA GLN A 13 6.344 9.301 -9.637 1.00 0.00 C ATOM 129 C GLN A 13 5.595 7.994 -9.369 1.00 0.00 C ATOM 130 O GLN A 13 4.418 8.011 -9.009 1.00 0.00 O ATOM 131 CB GLN A 13 7.089 9.772 -8.386 1.00 0.00 C ATOM 132 CG GLN A 13 8.376 8.972 -8.181 1.00 0.00 C ATOM 133 CD GLN A 13 9.522 9.880 -7.732 1.00 0.00 C ATOM 134 OE1 GLN A 13 9.330 11.023 -7.352 1.00 0.00 O ATOM 135 NE2 GLN A 13 10.722 9.311 -7.799 1.00 0.00 N ATOM 0 H GLN A 13 4.459 10.203 -9.801 1.00 0.00 H new ATOM 0 HA GLN A 13 7.085 9.119 -10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.326 10.832 -8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.446 9.663 -7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.210 8.195 -7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.648 8.470 -9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.813 8.349 -8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.552 9.836 -7.523 1.00 0.00 H new ATOM 142 N ALA A 14 6.306 6.893 -9.557 1.00 0.00 N ATOM 143 CA ALA A 14 5.724 5.580 -9.340 1.00 0.00 C ATOM 144 C ALA A 14 4.993 5.565 -7.996 1.00 0.00 C ATOM 145 O ALA A 14 5.315 6.346 -7.101 1.00 0.00 O ATOM 146 CB ALA A 14 6.820 4.515 -9.418 1.00 0.00 C ATOM 0 H ALA A 14 7.281 6.883 -9.857 1.00 0.00 H new ATOM 0 HA ALA A 14 4.993 5.353 -10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.382 3.530 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.288 4.546 -10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.571 4.709 -8.653 1.00 0.00 H new ATOM 152 N PRO A 15 3.996 4.647 -7.893 1.00 0.00 N ATOM 153 CA PRO A 15 3.216 4.521 -6.673 1.00 0.00 C ATOM 154 C PRO A 15 4.022 3.821 -5.577 1.00 0.00 C ATOM 155 O PRO A 15 4.353 4.429 -4.561 1.00 0.00 O ATOM 156 CB PRO A 15 1.971 3.751 -7.080 1.00 0.00 C ATOM 157 CG PRO A 15 2.313 3.071 -8.397 1.00 0.00 C ATOM 158 CD PRO A 15 3.585 3.706 -8.932 1.00 0.00 C ATOM 0 HA PRO A 15 2.948 5.486 -6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.700 3.018 -6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.118 4.420 -7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.454 2.000 -8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.498 3.189 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.355 2.957 -9.114 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.405 4.215 -9.879 1.00 0.00 H new ATOM 163 N GLU A 16 4.314 2.551 -5.821 1.00 0.00 N ATOM 164 CA GLU A 16 5.074 1.763 -4.868 1.00 0.00 C ATOM 165 C GLU A 16 6.294 2.547 -4.382 1.00 0.00 C ATOM 166 O GLU A 16 6.691 2.432 -3.223 1.00 0.00 O ATOM 167 CB GLU A 16 5.492 0.421 -5.476 1.00 0.00 C ATOM 168 CG GLU A 16 6.066 0.612 -6.881 1.00 0.00 C ATOM 169 CD GLU A 16 5.283 -0.209 -7.909 1.00 0.00 C ATOM 170 OE1 GLU A 16 5.518 -1.436 -7.952 1.00 0.00 O ATOM 171 OE2 GLU A 16 4.468 0.409 -8.626 1.00 0.00 O ATOM 0 H GLU A 16 4.037 2.050 -6.665 1.00 0.00 H new ATOM 0 HA GLU A 16 4.436 1.554 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.235 -0.056 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.632 -0.247 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.032 1.667 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.114 0.313 -6.893 1.00 0.00 H new ATOM 176 N VAL A 17 6.856 3.329 -5.292 1.00 0.00 N ATOM 177 CA VAL A 17 8.023 4.134 -4.971 1.00 0.00 C ATOM 178 C VAL A 17 7.599 5.308 -4.086 1.00 0.00 C ATOM 179 O VAL A 17 8.336 5.707 -3.185 1.00 0.00 O ATOM 180 CB VAL A 17 8.724 4.577 -6.257 1.00 0.00 C ATOM 181 CG1 VAL A 17 9.867 5.546 -5.952 1.00 0.00 C ATOM 182 CG2 VAL A 17 9.225 3.369 -7.052 1.00 0.00 C ATOM 0 H VAL A 17 6.525 3.422 -6.252 1.00 0.00 H new ATOM 0 HA VAL A 17 8.748 3.547 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 17 7.995 5.104 -6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.348 5.845 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.472 6.428 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.597 5.056 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.719 3.711 -7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.932 2.802 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.381 2.732 -7.316 1.00 0.00 H new ATOM 192 N ARG A 18 6.415 5.827 -4.374 1.00 0.00 N ATOM 193 CA ARG A 18 5.885 6.948 -3.615 1.00 0.00 C ATOM 194 C ARG A 18 5.389 6.475 -2.247 1.00 0.00 C ATOM 195 O ARG A 18 5.621 7.136 -1.236 1.00 0.00 O ATOM 196 CB ARG A 18 4.734 7.623 -4.362 1.00 0.00 C ATOM 197 CG ARG A 18 4.433 9.003 -3.774 1.00 0.00 C ATOM 198 CD ARG A 18 3.275 9.675 -4.514 1.00 0.00 C ATOM 199 NE ARG A 18 3.433 11.145 -4.474 1.00 0.00 N ATOM 200 CZ ARG A 18 2.591 12.007 -5.059 1.00 0.00 C ATOM 201 NH1 ARG A 18 1.525 11.552 -5.732 1.00 0.00 N ATOM 202 NH2 ARG A 18 2.813 13.326 -4.970 1.00 0.00 N ATOM 0 H ARG A 18 5.807 5.493 -5.122 1.00 0.00 H new ATOM 0 HA ARG A 18 6.691 7.670 -3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.989 7.721 -5.417 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.843 6.998 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.186 8.905 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.322 9.631 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.246 9.332 -5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.327 9.390 -4.057 1.00 0.00 H new ATOM 0 HE ARG A 18 4.233 11.526 -3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.354 10.549 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.884 12.209 -6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.623 13.673 -4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.172 13.982 -5.416 1.00 0.00 H new ATOM 213 N PHE A 19 4.714 5.334 -2.260 1.00 0.00 N ATOM 214 CA PHE A 19 4.183 4.766 -1.033 1.00 0.00 C ATOM 215 C PHE A 19 5.014 3.564 -0.581 1.00 0.00 C ATOM 216 O PHE A 19 4.487 2.634 0.028 1.00 0.00 O ATOM 217 CB PHE A 19 2.757 4.300 -1.336 1.00 0.00 C ATOM 218 CG PHE A 19 1.940 5.295 -2.163 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.635 6.517 -1.649 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.520 4.958 -3.411 1.00 0.00 C ATOM 221 CE1 PHE A 19 0.877 7.440 -2.416 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.761 5.881 -4.178 1.00 0.00 C ATOM 223 CZ PHE A 19 0.455 7.103 -3.665 1.00 0.00 C ATOM 0 H PHE A 19 4.523 4.788 -3.100 1.00 0.00 H new ATOM 0 HA PHE A 19 4.207 5.511 -0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.802 3.350 -1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.239 4.113 -0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.969 6.785 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.764 3.988 -3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.635 8.410 -2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.427 5.613 -5.169 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.122 7.805 -4.248 1.00 0.00 H new ATOM 232 N SER A 20 6.300 3.622 -0.895 1.00 0.00 N ATOM 233 CA SER A 20 7.210 2.550 -0.529 1.00 0.00 C ATOM 234 C SER A 20 7.359 2.487 0.992 1.00 0.00 C ATOM 235 O SER A 20 7.235 1.418 1.589 1.00 0.00 O ATOM 236 CB SER A 20 8.577 2.738 -1.189 1.00 0.00 C ATOM 237 OG SER A 20 8.880 4.113 -1.407 1.00 0.00 O ATOM 0 H SER A 20 6.734 4.395 -1.399 1.00 0.00 H new ATOM 0 HA SER A 20 6.791 1.609 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.348 2.292 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.596 2.207 -2.141 1.00 0.00 H new ATOM 0 HG SER A 20 8.863 4.303 -2.368 1.00 0.00 H new ATOM 242 N LYS A 21 7.624 3.646 1.578 1.00 0.00 N ATOM 243 CA LYS A 21 7.791 3.736 3.018 1.00 0.00 C ATOM 244 C LYS A 21 6.586 3.095 3.708 1.00 0.00 C ATOM 245 O LYS A 21 6.704 2.581 4.820 1.00 0.00 O ATOM 246 CB LYS A 21 8.040 5.186 3.438 1.00 0.00 C ATOM 247 CG LYS A 21 9.466 5.620 3.092 1.00 0.00 C ATOM 248 CD LYS A 21 10.183 6.179 4.323 1.00 0.00 C ATOM 249 CE LYS A 21 11.463 6.917 3.924 1.00 0.00 C ATOM 250 NZ LYS A 21 11.145 8.270 3.417 1.00 0.00 N ATOM 0 H LYS A 21 7.727 4.531 1.081 1.00 0.00 H new ATOM 0 HA LYS A 21 8.673 3.180 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.326 5.841 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.874 5.291 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.023 4.770 2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.440 6.376 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.519 6.858 4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.426 5.366 5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.129 6.992 4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.993 6.350 3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.027 8.775 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.569 8.191 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.615 8.796 4.141 1.00 0.00 H new ATOM 260 N GLU A 22 5.454 3.143 3.021 1.00 0.00 N ATOM 261 CA GLU A 22 4.230 2.573 3.554 1.00 0.00 C ATOM 262 C GLU A 22 4.215 1.057 3.345 1.00 0.00 C ATOM 263 O GLU A 22 3.970 0.300 4.284 1.00 0.00 O ATOM 264 CB GLU A 22 2.999 3.224 2.920 1.00 0.00 C ATOM 265 CG GLU A 22 2.889 4.697 3.326 1.00 0.00 C ATOM 266 CD GLU A 22 3.538 5.603 2.278 1.00 0.00 C ATOM 267 OE1 GLU A 22 4.782 5.712 2.315 1.00 0.00 O ATOM 268 OE2 GLU A 22 2.774 6.168 1.466 1.00 0.00 O ATOM 0 H GLU A 22 5.360 3.569 2.099 1.00 0.00 H new ATOM 0 HA GLU A 22 4.196 2.774 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.060 3.145 1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.101 2.690 3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.840 4.968 3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.371 4.849 4.292 1.00 0.00 H new ATOM 273 N MET A 23 4.480 0.659 2.110 1.00 0.00 N ATOM 274 CA MET A 23 4.501 -0.752 1.766 1.00 0.00 C ATOM 275 C MET A 23 5.301 -1.555 2.793 1.00 0.00 C ATOM 276 O MET A 23 4.946 -2.689 3.112 1.00 0.00 O ATOM 277 CB MET A 23 5.125 -0.931 0.380 1.00 0.00 C ATOM 278 CG MET A 23 4.166 -0.462 -0.717 1.00 0.00 C ATOM 279 SD MET A 23 2.660 -1.418 -0.662 1.00 0.00 S ATOM 280 CE MET A 23 3.051 -2.683 -1.861 1.00 0.00 C ATOM 0 H MET A 23 4.682 1.290 1.334 1.00 0.00 H new ATOM 0 HA MET A 23 3.475 -1.121 1.763 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.056 -0.367 0.320 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.378 -1.980 0.223 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.940 0.596 -0.585 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.638 -0.568 -1.694 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.128 -3.096 -2.268 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.641 -2.249 -2.668 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.622 -3.477 -1.379 1.00 0.00 H new ATOM 288 N GLU A 24 6.364 -0.936 3.283 1.00 0.00 N ATOM 289 CA GLU A 24 7.217 -1.578 4.268 1.00 0.00 C ATOM 290 C GLU A 24 6.517 -1.623 5.629 1.00 0.00 C ATOM 291 O GLU A 24 6.422 -2.681 6.247 1.00 0.00 O ATOM 292 CB GLU A 24 8.569 -0.868 4.370 1.00 0.00 C ATOM 293 CG GLU A 24 9.652 -1.641 3.614 1.00 0.00 C ATOM 294 CD GLU A 24 10.523 -2.448 4.579 1.00 0.00 C ATOM 295 OE1 GLU A 24 11.436 -1.833 5.169 1.00 0.00 O ATOM 296 OE2 GLU A 24 10.257 -3.664 4.703 1.00 0.00 O ATOM 0 H GLU A 24 6.655 0.005 3.016 1.00 0.00 H new ATOM 0 HA GLU A 24 7.405 -2.602 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.486 0.140 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.853 -0.767 5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.188 -2.311 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.275 -0.946 3.051 1.00 0.00 H new ATOM 301 N CYS A 25 6.046 -0.460 6.053 1.00 0.00 N ATOM 302 CA CYS A 25 5.358 -0.352 7.329 1.00 0.00 C ATOM 303 C CYS A 25 4.203 -1.357 7.338 1.00 0.00 C ATOM 304 O CYS A 25 3.867 -1.912 8.382 1.00 0.00 O ATOM 305 CB CYS A 25 4.875 1.075 7.592 1.00 0.00 C ATOM 306 SG CYS A 25 5.372 1.604 9.272 1.00 0.00 S ATOM 0 H CYS A 25 6.127 0.416 5.536 1.00 0.00 H new ATOM 0 HA CYS A 25 6.049 -0.586 8.139 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.295 1.753 6.849 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.791 1.125 7.492 1.00 0.00 H new ATOM 0 HG CYS A 25 4.959 2.818 9.485 1.00 0.00 H new ATOM 311 N LEU A 26 3.628 -1.559 6.162 1.00 0.00 N ATOM 312 CA LEU A 26 2.518 -2.486 6.022 1.00 0.00 C ATOM 313 C LEU A 26 3.016 -3.911 6.269 1.00 0.00 C ATOM 314 O LEU A 26 2.442 -4.642 7.076 1.00 0.00 O ATOM 315 CB LEU A 26 1.834 -2.301 4.665 1.00 0.00 C ATOM 316 CG LEU A 26 0.972 -1.046 4.515 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.649 -0.775 3.044 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.293 -1.144 5.370 1.00 0.00 C ATOM 0 H LEU A 26 3.910 -1.097 5.297 1.00 0.00 H new ATOM 0 HA LEU A 26 1.753 -2.280 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.602 -2.285 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.208 -3.173 4.474 1.00 0.00 H new ATOM 0 HG LEU A 26 1.544 -0.194 4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.035 0.122 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.576 -0.631 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.106 -1.624 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.888 -0.239 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.878 -2.009 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.016 -1.254 6.418 1.00 0.00 H new ATOM 329 N GLN A 27 4.079 -4.265 5.561 1.00 0.00 N ATOM 330 CA GLN A 27 4.660 -5.589 5.694 1.00 0.00 C ATOM 331 C GLN A 27 4.810 -5.957 7.173 1.00 0.00 C ATOM 332 O GLN A 27 4.392 -7.035 7.593 1.00 0.00 O ATOM 333 CB GLN A 27 6.005 -5.674 4.970 1.00 0.00 C ATOM 334 CG GLN A 27 5.835 -6.265 3.568 1.00 0.00 C ATOM 335 CD GLN A 27 6.108 -7.771 3.572 1.00 0.00 C ATOM 336 OE1 GLN A 27 6.578 -8.341 4.543 1.00 0.00 O ATOM 337 NE2 GLN A 27 5.787 -8.381 2.435 1.00 0.00 N ATOM 0 H GLN A 27 4.553 -3.657 4.893 1.00 0.00 H new ATOM 0 HA GLN A 27 3.987 -6.308 5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.448 -4.680 4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.695 -6.290 5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.823 -6.076 3.210 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.516 -5.770 2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.397 -7.844 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.930 -9.386 2.337 1.00 0.00 H new ATOM 344 N ALA A 28 5.408 -5.040 7.919 1.00 0.00 N ATOM 345 CA ALA A 28 5.619 -5.255 9.341 1.00 0.00 C ATOM 346 C ALA A 28 4.343 -5.828 9.961 1.00 0.00 C ATOM 347 O ALA A 28 4.378 -6.873 10.608 1.00 0.00 O ATOM 348 CB ALA A 28 6.047 -3.940 9.998 1.00 0.00 C ATOM 0 H ALA A 28 5.753 -4.147 7.566 1.00 0.00 H new ATOM 0 HA ALA A 28 6.418 -5.978 9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.205 -4.101 11.064 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.973 -3.590 9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.267 -3.192 9.856 1.00 0.00 H new ATOM 354 N MET A 29 3.246 -5.117 9.741 1.00 0.00 N ATOM 355 CA MET A 29 1.962 -5.541 10.270 1.00 0.00 C ATOM 356 C MET A 29 1.629 -6.967 9.824 1.00 0.00 C ATOM 357 O MET A 29 0.995 -7.720 10.562 1.00 0.00 O ATOM 358 CB MET A 29 0.868 -4.587 9.785 1.00 0.00 C ATOM 359 CG MET A 29 0.903 -3.272 10.567 1.00 0.00 C ATOM 360 SD MET A 29 1.287 -1.918 9.469 1.00 0.00 S ATOM 361 CE MET A 29 -0.028 -0.790 9.897 1.00 0.00 C ATOM 0 H MET A 29 3.221 -4.250 9.204 1.00 0.00 H new ATOM 0 HA MET A 29 2.016 -5.523 11.359 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.000 -4.386 8.722 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.108 -5.058 9.901 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.060 -3.099 11.047 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.649 -3.331 11.360 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.178 0.189 9.465 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.973 -1.168 9.507 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.093 -0.702 10.981 1.00 0.00 H new ATOM 369 N GLY A 30 2.071 -7.294 8.619 1.00 0.00 N ATOM 370 CA GLY A 30 1.829 -8.615 8.066 1.00 0.00 C ATOM 371 C GLY A 30 1.253 -8.520 6.651 1.00 0.00 C ATOM 372 O GLY A 30 1.179 -9.520 5.939 1.00 0.00 O ATOM 0 H GLY A 30 2.596 -6.666 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.760 -9.181 8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.138 -9.161 8.708 1.00 0.00 H new ATOM 376 N PHE A 31 0.862 -7.309 6.286 1.00 0.00 N ATOM 377 CA PHE A 31 0.295 -7.071 4.969 1.00 0.00 C ATOM 378 C PHE A 31 1.356 -7.230 3.879 1.00 0.00 C ATOM 379 O PHE A 31 1.847 -6.241 3.336 1.00 0.00 O ATOM 380 CB PHE A 31 -0.219 -5.629 4.958 1.00 0.00 C ATOM 381 CG PHE A 31 -1.388 -5.378 5.912 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.574 -6.014 5.717 1.00 0.00 C ATOM 383 CD2 PHE A 31 -1.240 -4.517 6.956 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.659 -5.779 6.603 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.325 -4.284 7.841 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.512 -4.920 7.647 1.00 0.00 C ATOM 0 H PHE A 31 0.926 -6.481 6.879 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.501 -7.789 4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.601 -4.960 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.529 -5.372 3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.691 -6.697 4.889 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.298 -4.012 7.111 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.601 -6.283 6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.208 -3.601 8.669 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.337 -4.743 8.321 1.00 0.00 H new ATOM 395 N VAL A 32 1.680 -8.482 3.592 1.00 0.00 N ATOM 396 CA VAL A 32 2.674 -8.784 2.576 1.00 0.00 C ATOM 397 C VAL A 32 2.085 -8.503 1.192 1.00 0.00 C ATOM 398 O VAL A 32 2.812 -8.156 0.263 1.00 0.00 O ATOM 399 CB VAL A 32 3.165 -10.224 2.735 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.766 -10.448 4.125 1.00 0.00 C ATOM 401 CG2 VAL A 32 2.039 -11.222 2.458 1.00 0.00 C ATOM 0 H VAL A 32 1.272 -9.299 4.045 1.00 0.00 H new ATOM 0 HA VAL A 32 3.547 -8.142 2.694 1.00 0.00 H new ATOM 0 HB VAL A 32 3.951 -10.393 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.107 -11.480 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.610 -9.773 4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.009 -10.251 4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.415 -12.238 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.222 -11.053 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.676 -11.088 1.439 1.00 0.00 H new ATOM 411 N ASN A 33 0.773 -8.665 1.098 1.00 0.00 N ATOM 412 CA ASN A 33 0.078 -8.433 -0.155 1.00 0.00 C ATOM 413 C ASN A 33 0.520 -7.090 -0.738 1.00 0.00 C ATOM 414 O ASN A 33 -0.023 -6.045 -0.379 1.00 0.00 O ATOM 415 CB ASN A 33 -1.437 -8.382 0.055 1.00 0.00 C ATOM 416 CG ASN A 33 -1.901 -9.519 0.968 1.00 0.00 C ATOM 417 OD1 ASN A 33 -1.630 -9.546 2.157 1.00 0.00 O ATOM 418 ND2 ASN A 33 -2.616 -10.453 0.347 1.00 0.00 N ATOM 0 H ASN A 33 0.173 -8.954 1.871 1.00 0.00 H new ATOM 0 HA ASN A 33 0.320 -9.253 -0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.715 -7.423 0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.944 -8.453 -0.907 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.974 -11.253 0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.807 -10.369 -0.652 1.00 0.00 H new ATOM 424 N TYR A 34 1.500 -7.159 -1.627 1.00 0.00 N ATOM 425 CA TYR A 34 2.020 -5.961 -2.262 1.00 0.00 C ATOM 426 C TYR A 34 1.015 -5.391 -3.265 1.00 0.00 C ATOM 427 O TYR A 34 0.512 -4.283 -3.085 1.00 0.00 O ATOM 428 CB TYR A 34 3.281 -6.395 -3.013 1.00 0.00 C ATOM 429 CG TYR A 34 4.028 -5.245 -3.691 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.917 -4.477 -2.967 1.00 0.00 C ATOM 431 CD2 TYR A 34 3.813 -4.976 -5.027 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.621 -3.395 -3.606 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.517 -3.895 -5.667 1.00 0.00 C ATOM 434 CZ TYR A 34 5.385 -3.157 -4.925 1.00 0.00 C ATOM 435 OH TYR A 34 6.050 -2.135 -5.527 1.00 0.00 O ATOM 0 H TYR A 34 1.948 -8.027 -1.922 1.00 0.00 H new ATOM 0 HA TYR A 34 2.220 -5.189 -1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.955 -6.891 -2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.006 -7.132 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.085 -4.687 -1.921 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.116 -5.576 -5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.320 -2.787 -3.051 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.359 -3.675 -6.713 1.00 0.00 H new ATOM 0 HH TYR A 34 6.014 -2.250 -6.500 1.00 0.00 H new ATOM 444 N ASN A 35 0.752 -6.175 -4.301 1.00 0.00 N ATOM 445 CA ASN A 35 -0.184 -5.762 -5.333 1.00 0.00 C ATOM 446 C ASN A 35 -1.375 -5.056 -4.682 1.00 0.00 C ATOM 447 O ASN A 35 -1.669 -3.905 -5.001 1.00 0.00 O ATOM 448 CB ASN A 35 -0.716 -6.969 -6.108 1.00 0.00 C ATOM 449 CG ASN A 35 0.032 -7.144 -7.431 1.00 0.00 C ATOM 450 OD1 ASN A 35 0.075 -6.260 -8.272 1.00 0.00 O ATOM 451 ND2 ASN A 35 0.618 -8.330 -7.569 1.00 0.00 N ATOM 0 H ASN A 35 1.171 -7.093 -4.448 1.00 0.00 H new ATOM 0 HA ASN A 35 0.341 -5.096 -6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.609 -7.870 -5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.781 -6.840 -6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.142 -8.544 -8.417 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.543 -9.025 -6.827 1.00 0.00 H new ATOM 457 N ALA A 36 -2.029 -5.775 -3.782 1.00 0.00 N ATOM 458 CA ALA A 36 -3.181 -5.232 -3.083 1.00 0.00 C ATOM 459 C ALA A 36 -2.805 -3.888 -2.457 1.00 0.00 C ATOM 460 O ALA A 36 -3.347 -2.849 -2.835 1.00 0.00 O ATOM 461 CB ALA A 36 -3.672 -6.243 -2.045 1.00 0.00 C ATOM 0 H ALA A 36 -1.783 -6.730 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.002 -5.054 -3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.536 -5.835 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.954 -7.170 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.875 -6.445 -1.329 1.00 0.00 H new ATOM 467 N ASN A 37 -1.882 -3.951 -1.509 1.00 0.00 N ATOM 468 CA ASN A 37 -1.427 -2.751 -0.826 1.00 0.00 C ATOM 469 C ASN A 37 -1.199 -1.641 -1.853 1.00 0.00 C ATOM 470 O ASN A 37 -1.837 -0.591 -1.790 1.00 0.00 O ATOM 471 CB ASN A 37 -0.106 -3.001 -0.097 1.00 0.00 C ATOM 472 CG ASN A 37 -0.307 -3.931 1.101 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.400 -4.090 1.620 1.00 0.00 O ATOM 474 ND2 ASN A 37 0.805 -4.533 1.512 1.00 0.00 N ATOM 0 H ASN A 37 -1.437 -4.814 -1.197 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.190 -2.464 -0.102 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.616 -3.440 -0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.312 -2.053 0.241 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.775 -5.172 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.688 -4.356 1.033 1.00 0.00 H new ATOM 480 N LEU A 38 -0.285 -1.909 -2.775 1.00 0.00 N ATOM 481 CA LEU A 38 0.035 -0.946 -3.814 1.00 0.00 C ATOM 482 C LEU A 38 -1.254 -0.285 -4.306 1.00 0.00 C ATOM 483 O LEU A 38 -1.398 0.935 -4.230 1.00 0.00 O ATOM 484 CB LEU A 38 0.850 -1.610 -4.926 1.00 0.00 C ATOM 485 CG LEU A 38 2.026 -0.797 -5.472 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.551 -1.399 -6.776 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.647 0.677 -5.634 1.00 0.00 C ATOM 0 H LEU A 38 0.244 -2.780 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 38 0.668 -0.152 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.233 -2.559 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.179 -1.841 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 38 2.838 -0.843 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.386 -0.802 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.887 -2.420 -6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.755 -1.404 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.501 1.232 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.811 0.764 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.359 1.087 -4.666 1.00 0.00 H new ATOM 498 N GLN A 39 -2.157 -1.118 -4.800 1.00 0.00 N ATOM 499 CA GLN A 39 -3.429 -0.629 -5.304 1.00 0.00 C ATOM 500 C GLN A 39 -4.144 0.195 -4.231 1.00 0.00 C ATOM 501 O GLN A 39 -4.510 1.345 -4.469 1.00 0.00 O ATOM 502 CB GLN A 39 -4.309 -1.786 -5.784 1.00 0.00 C ATOM 503 CG GLN A 39 -4.095 -2.056 -7.275 1.00 0.00 C ATOM 504 CD GLN A 39 -5.004 -1.170 -8.129 1.00 0.00 C ATOM 505 OE1 GLN A 39 -5.536 -0.168 -7.682 1.00 0.00 O ATOM 506 NE2 GLN A 39 -5.152 -1.595 -9.380 1.00 0.00 N ATOM 0 H GLN A 39 -2.033 -2.129 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.235 0.017 -6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.079 -2.684 -5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.357 -1.551 -5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.053 -1.872 -7.536 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.297 -3.105 -7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.678 -2.443 -9.690 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.740 -1.073 -10.030 1.00 0.00 H new ATOM 513 N ALA A 40 -4.321 -0.425 -3.075 1.00 0.00 N ATOM 514 CA ALA A 40 -4.986 0.237 -1.964 1.00 0.00 C ATOM 515 C ALA A 40 -4.351 1.612 -1.743 1.00 0.00 C ATOM 516 O ALA A 40 -5.045 2.628 -1.756 1.00 0.00 O ATOM 517 CB ALA A 40 -4.906 -0.649 -0.720 1.00 0.00 C ATOM 0 H ALA A 40 -4.016 -1.379 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.042 0.393 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.404 -0.153 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.396 -1.602 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.861 -0.824 -0.465 1.00 0.00 H new ATOM 523 N LEU A 41 -3.042 1.599 -1.545 1.00 0.00 N ATOM 524 CA LEU A 41 -2.308 2.833 -1.322 1.00 0.00 C ATOM 525 C LEU A 41 -2.752 3.879 -2.346 1.00 0.00 C ATOM 526 O LEU A 41 -3.177 4.972 -1.976 1.00 0.00 O ATOM 527 CB LEU A 41 -0.800 2.568 -1.329 1.00 0.00 C ATOM 528 CG LEU A 41 -0.209 2.023 -0.027 1.00 0.00 C ATOM 529 CD1 LEU A 41 1.141 1.348 -0.278 1.00 0.00 C ATOM 530 CD2 LEU A 41 -0.113 3.122 1.033 1.00 0.00 C ATOM 0 H LEU A 41 -2.470 0.754 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.534 3.237 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.579 1.861 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.289 3.499 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.883 1.259 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.539 0.970 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.010 0.521 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.837 2.072 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.310 2.709 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.527 3.925 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.108 3.517 1.239 1.00 0.00 H new ATOM 541 N ILE A 42 -2.639 3.507 -3.612 1.00 0.00 N ATOM 542 CA ILE A 42 -3.024 4.400 -4.692 1.00 0.00 C ATOM 543 C ILE A 42 -4.501 4.771 -4.539 1.00 0.00 C ATOM 544 O ILE A 42 -4.924 5.842 -4.972 1.00 0.00 O ATOM 545 CB ILE A 42 -2.684 3.779 -6.048 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.169 3.713 -6.256 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.388 4.524 -7.184 1.00 0.00 C ATOM 548 CD1 ILE A 42 -0.803 2.638 -7.281 1.00 0.00 C ATOM 0 H ILE A 42 -2.286 2.599 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.454 5.328 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.055 2.754 -6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.802 4.682 -6.593 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.677 3.499 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.129 4.062 -8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.467 4.475 -7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.070 5.567 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.279 2.612 -7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.150 1.666 -6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.277 2.869 -8.235 1.00 0.00 H new ATOM 559 N ALA A 43 -5.245 3.865 -3.922 1.00 0.00 N ATOM 560 CA ALA A 43 -6.665 4.083 -3.706 1.00 0.00 C ATOM 561 C ALA A 43 -6.855 5.113 -2.591 1.00 0.00 C ATOM 562 O ALA A 43 -7.901 5.755 -2.505 1.00 0.00 O ATOM 563 CB ALA A 43 -7.345 2.749 -3.390 1.00 0.00 C ATOM 0 H ALA A 43 -4.891 2.978 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.133 4.482 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.410 2.913 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.206 2.063 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.903 2.319 -2.491 1.00 0.00 H new ATOM 569 N THR A 44 -5.827 5.239 -1.765 1.00 0.00 N ATOM 570 CA THR A 44 -5.867 6.179 -0.658 1.00 0.00 C ATOM 571 C THR A 44 -4.803 7.265 -0.841 1.00 0.00 C ATOM 572 O THR A 44 -4.528 8.030 0.081 1.00 0.00 O ATOM 573 CB THR A 44 -5.710 5.388 0.642 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.369 4.906 0.595 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.563 4.118 0.661 1.00 0.00 C ATOM 0 H THR A 44 -4.961 4.705 -1.840 1.00 0.00 H new ATOM 0 HA THR A 44 -6.821 6.705 -0.621 1.00 0.00 H new ATOM 0 HB THR A 44 -5.982 6.020 1.487 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.034 4.961 -0.324 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.415 3.594 1.605 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.615 4.384 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.268 3.469 -0.164 1.00 0.00 H new ATOM 583 N ASP A 45 -4.236 7.295 -2.038 1.00 0.00 N ATOM 584 CA ASP A 45 -3.209 8.274 -2.354 1.00 0.00 C ATOM 585 C ASP A 45 -2.160 8.282 -1.241 1.00 0.00 C ATOM 586 O ASP A 45 -1.922 9.316 -0.616 1.00 0.00 O ATOM 587 CB ASP A 45 -3.801 9.680 -2.457 1.00 0.00 C ATOM 588 CG ASP A 45 -3.018 10.648 -3.347 1.00 0.00 C ATOM 589 OD1 ASP A 45 -1.870 10.297 -3.693 1.00 0.00 O ATOM 590 OD2 ASP A 45 -3.586 11.716 -3.660 1.00 0.00 O ATOM 0 H ASP A 45 -4.468 6.658 -2.800 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.764 8.000 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.819 9.602 -2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.868 10.104 -1.455 1.00 0.00 H new ATOM 594 N GLY A 46 -1.561 7.121 -1.026 1.00 0.00 N ATOM 595 CA GLY A 46 -0.542 6.982 0.002 1.00 0.00 C ATOM 596 C GLY A 46 -1.139 7.182 1.395 1.00 0.00 C ATOM 597 O GLY A 46 -0.944 8.228 2.014 1.00 0.00 O ATOM 0 H GLY A 46 -1.761 6.267 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.086 5.994 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.251 7.711 -0.166 1.00 0.00 H new ATOM 601 N ASP A 47 -1.854 6.164 1.850 1.00 0.00 N ATOM 602 CA ASP A 47 -2.481 6.215 3.160 1.00 0.00 C ATOM 603 C ASP A 47 -2.456 4.820 3.787 1.00 0.00 C ATOM 604 O ASP A 47 -2.989 3.869 3.217 1.00 0.00 O ATOM 605 CB ASP A 47 -3.941 6.660 3.054 1.00 0.00 C ATOM 606 CG ASP A 47 -4.313 7.865 3.920 1.00 0.00 C ATOM 607 OD1 ASP A 47 -4.164 8.998 3.411 1.00 0.00 O ATOM 608 OD2 ASP A 47 -4.740 7.628 5.071 1.00 0.00 O ATOM 0 H ASP A 47 -2.013 5.298 1.335 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.929 6.930 3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.158 6.899 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.582 5.822 3.329 1.00 0.00 H new ATOM 612 N THR A 48 -1.832 4.741 4.953 1.00 0.00 N ATOM 613 CA THR A 48 -1.730 3.478 5.664 1.00 0.00 C ATOM 614 C THR A 48 -3.054 3.148 6.356 1.00 0.00 C ATOM 615 O THR A 48 -3.660 2.113 6.085 1.00 0.00 O ATOM 616 CB THR A 48 -0.545 3.571 6.628 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.698 4.849 7.242 1.00 0.00 O ATOM 618 CG2 THR A 48 0.797 3.666 5.899 1.00 0.00 C ATOM 0 H THR A 48 -1.392 5.532 5.423 1.00 0.00 H new ATOM 0 HA THR A 48 -1.543 2.652 4.978 1.00 0.00 H new ATOM 0 HB THR A 48 -0.541 2.700 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.028 4.992 7.884 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.604 3.730 6.629 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.938 2.781 5.279 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.807 4.555 5.269 1.00 0.00 H new ATOM 626 N ASN A 49 -3.462 4.048 7.239 1.00 0.00 N ATOM 627 CA ASN A 49 -4.702 3.865 7.974 1.00 0.00 C ATOM 628 C ASN A 49 -5.781 3.341 7.023 1.00 0.00 C ATOM 629 O ASN A 49 -6.262 2.221 7.181 1.00 0.00 O ATOM 630 CB ASN A 49 -5.194 5.189 8.563 1.00 0.00 C ATOM 631 CG ASN A 49 -5.317 5.099 10.085 1.00 0.00 C ATOM 632 OD1 ASN A 49 -5.600 4.056 10.650 1.00 0.00 O ATOM 633 ND2 ASN A 49 -5.093 6.249 10.715 1.00 0.00 N ATOM 0 H ASN A 49 -2.956 4.905 7.462 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.514 3.158 8.782 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.503 5.989 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.161 5.447 8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.154 6.294 11.732 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.860 7.086 10.181 1.00 0.00 H new ATOM 639 N ALA A 50 -6.130 4.178 6.056 1.00 0.00 N ATOM 640 CA ALA A 50 -7.142 3.814 5.080 1.00 0.00 C ATOM 641 C ALA A 50 -6.832 2.421 4.525 1.00 0.00 C ATOM 642 O ALA A 50 -7.678 1.530 4.569 1.00 0.00 O ATOM 643 CB ALA A 50 -7.200 4.879 3.983 1.00 0.00 C ATOM 0 H ALA A 50 -5.729 5.107 5.928 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.127 3.772 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.960 4.606 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.452 5.843 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.230 4.948 3.491 1.00 0.00 H new ATOM 649 N ALA A 51 -5.617 2.279 4.017 1.00 0.00 N ATOM 650 CA ALA A 51 -5.185 1.011 3.454 1.00 0.00 C ATOM 651 C ALA A 51 -5.538 -0.118 4.424 1.00 0.00 C ATOM 652 O ALA A 51 -6.254 -1.051 4.062 1.00 0.00 O ATOM 653 CB ALA A 51 -3.687 1.071 3.150 1.00 0.00 C ATOM 0 H ALA A 51 -4.918 3.021 3.983 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.700 0.812 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.363 0.120 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.493 1.870 2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.136 1.266 4.070 1.00 0.00 H new ATOM 659 N ILE A 52 -5.021 0.003 5.637 1.00 0.00 N ATOM 660 CA ILE A 52 -5.272 -0.996 6.662 1.00 0.00 C ATOM 661 C ILE A 52 -6.773 -1.281 6.733 1.00 0.00 C ATOM 662 O ILE A 52 -7.213 -2.393 6.448 1.00 0.00 O ATOM 663 CB ILE A 52 -4.666 -0.560 7.997 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.138 -0.532 7.922 1.00 0.00 C ATOM 665 CG2 ILE A 52 -5.167 -1.441 9.142 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.588 0.804 8.426 1.00 0.00 C ATOM 0 H ILE A 52 -4.429 0.778 5.934 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.780 -1.934 6.407 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.998 0.457 8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.726 -1.347 8.518 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.818 -0.696 6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.720 -1.109 10.079 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.252 -1.366 9.211 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.886 -2.477 8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.500 0.797 8.362 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.982 1.614 7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.889 0.954 9.463 1.00 0.00 H new ATOM 677 N TYR A 53 -7.521 -0.255 7.114 1.00 0.00 N ATOM 678 CA TYR A 53 -8.964 -0.380 7.227 1.00 0.00 C ATOM 679 C TYR A 53 -9.535 -1.198 6.066 1.00 0.00 C ATOM 680 O TYR A 53 -10.243 -2.180 6.284 1.00 0.00 O ATOM 681 CB TYR A 53 -9.518 1.044 7.151 1.00 0.00 C ATOM 682 CG TYR A 53 -10.937 1.189 7.704 1.00 0.00 C ATOM 683 CD1 TYR A 53 -11.226 0.765 8.985 1.00 0.00 C ATOM 684 CD2 TYR A 53 -11.930 1.744 6.922 1.00 0.00 C ATOM 685 CE1 TYR A 53 -12.561 0.902 9.506 1.00 0.00 C ATOM 686 CE2 TYR A 53 -13.266 1.882 7.442 1.00 0.00 C ATOM 687 CZ TYR A 53 -13.515 1.454 8.709 1.00 0.00 C ATOM 688 OH TYR A 53 -14.777 1.583 9.201 1.00 0.00 O ATOM 0 H TYR A 53 -7.154 0.667 7.348 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.234 -0.885 8.154 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.854 1.711 7.701 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.509 1.372 6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.450 0.330 9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.705 2.075 5.919 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.800 0.574 10.507 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.051 2.315 6.840 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.352 1.994 8.522 1.00 0.00 H new ATOM 697 N LYS A 54 -9.204 -0.765 4.859 1.00 0.00 N ATOM 698 CA LYS A 54 -9.675 -1.445 3.665 1.00 0.00 C ATOM 699 C LYS A 54 -9.213 -2.903 3.698 1.00 0.00 C ATOM 700 O LYS A 54 -10.034 -3.817 3.757 1.00 0.00 O ATOM 701 CB LYS A 54 -9.236 -0.689 2.409 1.00 0.00 C ATOM 702 CG LYS A 54 -10.185 0.472 2.108 1.00 0.00 C ATOM 703 CD LYS A 54 -10.174 0.817 0.617 1.00 0.00 C ATOM 704 CE LYS A 54 -10.443 2.307 0.397 1.00 0.00 C ATOM 705 NZ LYS A 54 -11.864 2.532 0.050 1.00 0.00 N ATOM 0 H LYS A 54 -8.615 0.049 4.682 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.765 -1.456 3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.223 -0.310 2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.210 -1.372 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.197 0.209 2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.892 1.346 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.209 0.550 0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.929 0.227 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.190 2.865 1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.804 2.684 -0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.029 3.548 -0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.094 2.015 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.469 2.191 0.824 1.00 0.00 H new ATOM 715 N LEU A 55 -7.900 -3.076 3.657 1.00 0.00 N ATOM 716 CA LEU A 55 -7.319 -4.408 3.682 1.00 0.00 C ATOM 717 C LEU A 55 -8.075 -5.271 4.694 1.00 0.00 C ATOM 718 O LEU A 55 -8.692 -6.269 4.325 1.00 0.00 O ATOM 719 CB LEU A 55 -5.814 -4.330 3.943 1.00 0.00 C ATOM 720 CG LEU A 55 -4.991 -3.565 2.905 1.00 0.00 C ATOM 721 CD1 LEU A 55 -3.652 -3.113 3.491 1.00 0.00 C ATOM 722 CD2 LEU A 55 -4.808 -4.393 1.631 1.00 0.00 C ATOM 0 H LEU A 55 -7.222 -2.316 3.607 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.426 -4.889 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.658 -3.864 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.424 -5.346 4.010 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.542 -2.666 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.087 -2.572 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.831 -2.460 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.083 -3.985 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.220 -3.826 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.290 -5.321 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.784 -4.622 1.203 1.00 0.00 H new ATOM 733 N LYS A 56 -8.003 -4.854 5.949 1.00 0.00 N ATOM 734 CA LYS A 56 -8.674 -5.577 7.018 1.00 0.00 C ATOM 735 C LYS A 56 -10.061 -6.011 6.540 1.00 0.00 C ATOM 736 O LYS A 56 -10.354 -7.204 6.480 1.00 0.00 O ATOM 737 CB LYS A 56 -8.698 -4.740 8.298 1.00 0.00 C ATOM 738 CG LYS A 56 -7.338 -4.768 8.998 1.00 0.00 C ATOM 739 CD LYS A 56 -7.443 -5.425 10.375 1.00 0.00 C ATOM 740 CE LYS A 56 -7.624 -4.373 11.472 1.00 0.00 C ATOM 741 NZ LYS A 56 -9.024 -3.898 11.509 1.00 0.00 N ATOM 0 H LYS A 56 -7.491 -4.025 6.251 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.124 -6.484 7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.967 -3.711 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.465 -5.121 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.621 -5.313 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.959 -3.752 9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.284 -6.118 10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.545 -6.010 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.352 -4.797 12.439 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.953 -3.533 11.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.133 -3.197 12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.266 -3.460 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.659 -4.702 11.686 1.00 0.00 H new ATOM 751 N SER A 57 -10.877 -5.020 6.214 1.00 0.00 N ATOM 752 CA SER A 57 -12.227 -5.285 5.745 1.00 0.00 C ATOM 753 C SER A 57 -12.206 -6.401 4.699 1.00 0.00 C ATOM 754 O SER A 57 -12.866 -7.426 4.867 1.00 0.00 O ATOM 755 CB SER A 57 -12.865 -4.023 5.161 1.00 0.00 C ATOM 756 OG SER A 57 -14.172 -3.797 5.680 1.00 0.00 O ATOM 0 H SER A 57 -10.630 -4.032 6.265 1.00 0.00 H new ATOM 0 HA SER A 57 -12.829 -5.603 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.234 -3.162 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.916 -4.111 4.076 1.00 0.00 H new ATOM 0 HG SER A 57 -14.545 -2.982 5.284 1.00 0.00 H new ATOM 761 N SER A 58 -11.442 -6.165 3.643 1.00 0.00 N ATOM 762 CA SER A 58 -11.328 -7.139 2.569 1.00 0.00 C ATOM 763 C SER A 58 -10.893 -8.492 3.135 1.00 0.00 C ATOM 764 O SER A 58 -9.853 -8.592 3.785 1.00 0.00 O ATOM 765 CB SER A 58 -10.340 -6.667 1.501 1.00 0.00 C ATOM 766 OG SER A 58 -10.546 -7.327 0.255 1.00 0.00 O ATOM 0 H SER A 58 -10.896 -5.314 3.507 1.00 0.00 H new ATOM 0 HA SER A 58 -12.305 -7.247 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.442 -5.591 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.321 -6.849 1.844 1.00 0.00 H new ATOM 0 HG SER A 58 -9.897 -6.997 -0.401 1.00 0.00 H new ATOM 771 N GLN A 59 -11.709 -9.500 2.867 1.00 0.00 N ATOM 772 CA GLN A 59 -11.421 -10.844 3.341 1.00 0.00 C ATOM 773 C GLN A 59 -10.062 -11.311 2.816 1.00 0.00 C ATOM 774 O GLN A 59 -9.816 -11.287 1.610 1.00 0.00 O ATOM 775 CB GLN A 59 -12.530 -11.817 2.936 1.00 0.00 C ATOM 776 CG GLN A 59 -12.586 -11.984 1.416 1.00 0.00 C ATOM 777 CD GLN A 59 -13.819 -12.788 0.998 1.00 0.00 C ATOM 778 OE1 GLN A 59 -14.067 -13.885 1.473 1.00 0.00 O ATOM 779 NE2 GLN A 59 -14.574 -12.184 0.085 1.00 0.00 N ATOM 0 H GLN A 59 -12.570 -9.414 2.327 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.381 -10.824 4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.358 -12.786 3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.490 -11.452 3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -12.608 -11.004 0.939 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.684 -12.488 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -14.308 -11.266 -0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -15.419 -12.639 -0.260 1.00 0.00 H new ATOM 786 N GLY A 60 -9.215 -11.727 3.745 1.00 0.00 N ATOM 787 CA GLY A 60 -7.888 -12.200 3.392 1.00 0.00 C ATOM 788 C GLY A 60 -7.025 -12.395 4.640 1.00 0.00 C ATOM 789 O GLY A 60 -6.508 -11.429 5.199 1.00 0.00 O ATOM 0 H GLY A 60 -9.422 -11.746 4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.966 -13.142 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.409 -11.485 2.723 1.00 0.00 H new ATOM 793 N PHE A 61 -6.895 -13.651 5.040 1.00 0.00 N ATOM 794 CA PHE A 61 -6.102 -13.986 6.211 1.00 0.00 C ATOM 795 C PHE A 61 -6.539 -13.157 7.421 1.00 0.00 C ATOM 796 O PHE A 61 -6.163 -11.994 7.550 1.00 0.00 O ATOM 797 CB PHE A 61 -4.647 -13.652 5.877 1.00 0.00 C ATOM 798 CG PHE A 61 -3.624 -14.431 6.707 1.00 0.00 C ATOM 799 CD1 PHE A 61 -3.181 -15.643 6.277 1.00 0.00 C ATOM 800 CD2 PHE A 61 -3.158 -13.911 7.874 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.232 -16.365 7.046 1.00 0.00 C ATOM 802 CE2 PHE A 61 -2.208 -14.633 8.644 1.00 0.00 C ATOM 803 CZ PHE A 61 -1.765 -15.845 8.213 1.00 0.00 C ATOM 0 H PHE A 61 -7.326 -14.450 4.574 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.230 -15.040 6.459 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.472 -13.854 4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.486 -12.585 6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.552 -16.056 5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.510 -12.949 8.215 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.880 -17.327 6.705 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.838 -14.220 9.571 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.042 -16.395 8.798 1.00 0.00 H new ATOM 812 N SER A 62 -7.325 -13.791 8.279 1.00 0.00 N ATOM 813 CA SER A 62 -7.817 -13.127 9.475 1.00 0.00 C ATOM 814 C SER A 62 -6.669 -12.917 10.465 1.00 0.00 C ATOM 815 O SER A 62 -5.579 -13.458 10.282 1.00 0.00 O ATOM 816 CB SER A 62 -8.942 -13.932 10.128 1.00 0.00 C ATOM 817 OG SER A 62 -10.228 -13.522 9.670 1.00 0.00 O ATOM 0 H SER A 62 -7.633 -14.757 8.170 1.00 0.00 H new ATOM 0 HA SER A 62 -8.222 -12.157 9.187 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.802 -14.991 9.913 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.889 -13.817 11.211 1.00 0.00 H new ATOM 0 HG SER A 62 -10.919 -14.061 10.109 1.00 0.00 H new ATOM 822 N GLY A 63 -6.954 -12.130 11.493 1.00 0.00 N ATOM 823 CA GLY A 63 -5.960 -11.843 12.512 1.00 0.00 C ATOM 824 C GLY A 63 -5.656 -10.344 12.575 1.00 0.00 C ATOM 825 O GLY A 63 -4.690 -9.877 11.974 1.00 0.00 O ATOM 0 H GLY A 63 -7.859 -11.683 11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.319 -12.186 13.482 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.045 -12.395 12.298 1.00 0.00 H new ATOM 829 N PRO A 64 -6.523 -9.613 13.326 1.00 0.00 N ATOM 830 CA PRO A 64 -6.359 -8.178 13.474 1.00 0.00 C ATOM 831 C PRO A 64 -5.206 -7.854 14.428 1.00 0.00 C ATOM 832 O PRO A 64 -4.649 -8.750 15.061 1.00 0.00 O ATOM 833 CB PRO A 64 -7.703 -7.677 13.977 1.00 0.00 C ATOM 834 CG PRO A 64 -8.421 -8.896 14.532 1.00 0.00 C ATOM 835 CD PRO A 64 -7.680 -10.133 14.050 1.00 0.00 C ATOM 0 HA PRO A 64 -6.091 -7.687 12.538 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.573 -6.916 14.747 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.276 -7.220 13.170 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.442 -8.864 15.621 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.457 -8.916 14.194 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.374 -10.762 14.886 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.309 -10.745 13.404 1.00 0.00 H new ATOM 840 N SER A 65 -4.882 -6.571 14.500 1.00 0.00 N ATOM 841 CA SER A 65 -3.806 -6.119 15.364 1.00 0.00 C ATOM 842 C SER A 65 -4.131 -4.730 15.921 1.00 0.00 C ATOM 843 O SER A 65 -4.818 -3.942 15.272 1.00 0.00 O ATOM 844 CB SER A 65 -2.473 -6.091 14.616 1.00 0.00 C ATOM 845 OG SER A 65 -1.495 -5.306 15.294 1.00 0.00 O ATOM 0 H SER A 65 -5.346 -5.831 13.974 1.00 0.00 H new ATOM 0 HA SER A 65 -3.713 -6.823 16.191 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.102 -7.109 14.498 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.628 -5.690 13.614 1.00 0.00 H new ATOM 0 HG SER A 65 -0.658 -5.315 14.785 1.00 0.00 H new ATOM 850 N SER A 66 -3.623 -4.473 17.117 1.00 0.00 N ATOM 851 CA SER A 66 -3.850 -3.195 17.768 1.00 0.00 C ATOM 852 C SER A 66 -5.327 -3.051 18.138 1.00 0.00 C ATOM 853 O SER A 66 -5.684 -3.108 19.314 1.00 0.00 O ATOM 854 CB SER A 66 -3.414 -2.034 16.871 1.00 0.00 C ATOM 855 OG SER A 66 -3.470 -0.784 17.550 1.00 0.00 O ATOM 0 H SER A 66 -3.054 -5.129 17.652 1.00 0.00 H new ATOM 0 HA SER A 66 -3.249 -3.164 18.677 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.397 -2.210 16.519 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.054 -1.997 15.990 1.00 0.00 H new ATOM 0 HG SER A 66 -3.183 -0.069 16.944 1.00 0.00 H new ATOM 860 N GLY A 67 -6.146 -2.869 17.114 1.00 0.00 N ATOM 861 CA GLY A 67 -7.578 -2.717 17.318 1.00 0.00 C ATOM 862 C GLY A 67 -8.098 -1.453 16.631 1.00 0.00 C ATOM 863 O GLY A 67 -8.395 -0.460 17.293 1.00 0.00 O ATOM 0 H GLY A 67 -5.847 -2.823 16.140 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.100 -3.590 16.925 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.794 -2.670 18.385 1.00 0.00 H new TER 867 GLY A 67