USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.011) USER MOD Set 3.1: A 48 GLN : amide:sc= -0.138 K(o=-0.22,f=-1.2!) USER MOD Set 3.2: A 93 GLN : amide:sc= -0.0816 K(o=-0.22,f=-2.4!) USER MOD Set 4.1: A 37 SER OG : rot 92:sc= 0.0386 USER MOD Set 4.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 74 SER OG : rot -34:sc= -0.221 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.721 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 17:sc= 0.402 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 26:sc= 0.33 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00192 USER MOD Single : A 27 SER OG : rot 170:sc= -0.0344 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.176 USER MOD Single : A 39 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.42) USER MOD Single : A 43 CYS SG : rot 50:sc= -7.84! USER MOD Single : A 50 TYR OH : rot 180:sc= -0.782 USER MOD Single : A 51 SER OG : rot 150:sc= -1.04 USER MOD Single : A 55 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.04) USER MOD Single : A 58 ASN : amide:sc= -1.57 K(o=-1.6,f=-3.2!) USER MOD Single : A 66 ASN : amide:sc= -0.0289 K(o=-0.029,f=-4.3!) USER MOD Single : A 69 ASN : amide:sc= -2.12! X(o=-2.1!,f=-2.5) USER MOD Single : A 72 GLN : amide:sc= -0.0955 X(o=-0.096,f=-0.37) USER MOD Single : A 83 ASN : amide:sc= -2.08! K(o=-2.1!,f=-0.28) USER MOD Single : A 84 HIS : no HE2:sc= 0.831 K(o=0.83,f=-7.1!) USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 SER OG : rot 135:sc= 0.382 USER MOD Single : A 95 GLN : amide:sc= -0.0602 X(o=-0.06,f=-0.06) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot 27:sc= 0.0865 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.183 5.209 -5.073 1.00 0.00 N ATOM 2 CA GLY A 1 35.063 6.040 -4.671 1.00 0.00 C ATOM 3 C GLY A 1 35.125 7.428 -5.278 1.00 0.00 C ATOM 4 O GLY A 1 34.627 7.653 -6.381 1.00 0.00 O ATOM 0 H1 GLY A 1 36.095 4.271 -4.632 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.185 5.107 -6.108 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.072 5.653 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.132 5.558 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.047 6.122 -3.584 1.00 0.00 H new ATOM 8 N SER A 2 35.736 8.361 -4.555 1.00 0.00 N ATOM 9 CA SER A 2 35.855 9.736 -5.027 1.00 0.00 C ATOM 10 C SER A 2 37.019 10.446 -4.341 1.00 0.00 C ATOM 11 O SER A 2 37.256 10.262 -3.147 1.00 0.00 O ATOM 12 CB SER A 2 34.555 10.500 -4.771 1.00 0.00 C ATOM 13 OG SER A 2 33.528 10.068 -5.647 1.00 0.00 O ATOM 0 H SER A 2 36.156 8.190 -3.641 1.00 0.00 H new ATOM 0 HA SER A 2 36.048 9.711 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 2 34.241 10.354 -3.738 1.00 0.00 H new ATOM 0 HB3 SER A 2 34.725 11.568 -4.904 1.00 0.00 H new ATOM 0 HG SER A 2 33.803 9.238 -6.090 1.00 0.00 H new ATOM 19 N SER A 3 37.742 11.258 -5.106 1.00 0.00 N ATOM 20 CA SER A 3 38.884 11.993 -4.575 1.00 0.00 C ATOM 21 C SER A 3 38.440 12.989 -3.508 1.00 0.00 C ATOM 22 O SER A 3 37.470 13.724 -3.694 1.00 0.00 O ATOM 23 CB SER A 3 39.614 12.726 -5.701 1.00 0.00 C ATOM 24 OG SER A 3 40.609 13.593 -5.185 1.00 0.00 O ATOM 0 H SER A 3 37.557 11.423 -6.095 1.00 0.00 H new ATOM 0 HA SER A 3 39.565 11.276 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 3 40.072 12.001 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 3 38.898 13.299 -6.290 1.00 0.00 H new ATOM 0 HG SER A 3 41.062 14.048 -5.925 1.00 0.00 H new ATOM 30 N GLY A 4 39.158 13.008 -2.389 1.00 0.00 N ATOM 31 CA GLY A 4 38.823 13.918 -1.309 1.00 0.00 C ATOM 32 C GLY A 4 37.991 13.254 -0.229 1.00 0.00 C ATOM 33 O GLY A 4 37.135 12.419 -0.521 1.00 0.00 O ATOM 0 H GLY A 4 39.965 12.410 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 4 39.741 14.308 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 4 38.276 14.770 -1.712 1.00 0.00 H new ATOM 37 N SER A 5 38.244 13.625 1.022 1.00 0.00 N ATOM 38 CA SER A 5 37.516 13.056 2.150 1.00 0.00 C ATOM 39 C SER A 5 36.009 13.145 1.925 1.00 0.00 C ATOM 40 O SER A 5 35.512 14.122 1.365 1.00 0.00 O ATOM 41 CB SER A 5 37.893 13.778 3.445 1.00 0.00 C ATOM 42 OG SER A 5 37.277 13.169 4.566 1.00 0.00 O ATOM 0 H SER A 5 38.948 14.317 1.280 1.00 0.00 H new ATOM 0 HA SER A 5 37.792 12.005 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 5 38.976 13.766 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 5 37.591 14.823 3.383 1.00 0.00 H new ATOM 0 HG SER A 5 37.535 13.648 5.381 1.00 0.00 H new ATOM 48 N SER A 6 35.289 12.119 2.366 1.00 0.00 N ATOM 49 CA SER A 6 33.840 12.079 2.210 1.00 0.00 C ATOM 50 C SER A 6 33.169 11.599 3.494 1.00 0.00 C ATOM 51 O SER A 6 33.491 10.532 4.015 1.00 0.00 O ATOM 52 CB SER A 6 33.456 11.162 1.047 1.00 0.00 C ATOM 53 OG SER A 6 33.711 9.804 1.363 1.00 0.00 O ATOM 0 H SER A 6 35.685 11.304 2.834 1.00 0.00 H new ATOM 0 HA SER A 6 33.494 13.090 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.400 11.292 0.811 1.00 0.00 H new ATOM 0 HB3 SER A 6 34.018 11.443 0.157 1.00 0.00 H new ATOM 0 HG SER A 6 33.818 9.708 2.332 1.00 0.00 H new ATOM 59 N GLY A 7 32.232 12.397 3.998 1.00 0.00 N ATOM 60 CA GLY A 7 31.529 12.038 5.216 1.00 0.00 C ATOM 61 C GLY A 7 30.027 12.193 5.086 1.00 0.00 C ATOM 62 O GLY A 7 29.407 11.588 4.211 1.00 0.00 O ATOM 0 H GLY A 7 31.948 13.285 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 31.763 11.006 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 7 31.886 12.662 6.035 1.00 0.00 H new ATOM 66 N SER A 8 29.439 13.005 5.959 1.00 0.00 N ATOM 67 CA SER A 8 27.999 13.233 5.941 1.00 0.00 C ATOM 68 C SER A 8 27.659 14.497 5.157 1.00 0.00 C ATOM 69 O SER A 8 27.607 15.593 5.715 1.00 0.00 O ATOM 70 CB SER A 8 27.462 13.345 7.369 1.00 0.00 C ATOM 71 OG SER A 8 26.045 13.347 7.382 1.00 0.00 O ATOM 0 H SER A 8 29.938 13.516 6.687 1.00 0.00 H new ATOM 0 HA SER A 8 27.527 12.383 5.448 1.00 0.00 H new ATOM 0 HB2 SER A 8 27.833 12.513 7.967 1.00 0.00 H new ATOM 0 HB3 SER A 8 27.834 14.260 7.830 1.00 0.00 H new ATOM 0 HG SER A 8 25.726 13.418 8.306 1.00 0.00 H new ATOM 77 N HIS A 9 27.428 14.335 3.858 1.00 0.00 N ATOM 78 CA HIS A 9 27.092 15.462 2.995 1.00 0.00 C ATOM 79 C HIS A 9 25.697 15.295 2.401 1.00 0.00 C ATOM 80 O HIS A 9 25.539 14.757 1.305 1.00 0.00 O ATOM 81 CB HIS A 9 28.123 15.599 1.874 1.00 0.00 C ATOM 82 CG HIS A 9 28.075 16.922 1.173 1.00 0.00 C ATOM 83 ND1 HIS A 9 28.912 17.971 1.488 1.00 0.00 N ATOM 84 CD2 HIS A 9 27.283 17.362 0.168 1.00 0.00 C ATOM 85 CE1 HIS A 9 28.637 19.001 0.707 1.00 0.00 C ATOM 86 NE2 HIS A 9 27.652 18.657 -0.104 1.00 0.00 N ATOM 0 H HIS A 9 27.467 13.435 3.380 1.00 0.00 H new ATOM 0 HA HIS A 9 27.103 16.368 3.602 1.00 0.00 H new ATOM 0 HB2 HIS A 9 29.120 15.453 2.289 1.00 0.00 H new ATOM 0 HB3 HIS A 9 27.962 14.805 1.145 1.00 0.00 H new ATOM 0 HD2 HIS A 9 26.506 16.800 -0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 9 29.133 19.960 0.728 1.00 0.00 H new ATOM 0 HE2 HIS A 9 27.234 19.256 -0.816 1.00 0.00 H new ATOM 94 N ASP A 10 24.689 15.758 3.132 1.00 0.00 N ATOM 95 CA ASP A 10 23.307 15.659 2.677 1.00 0.00 C ATOM 96 C ASP A 10 22.784 17.021 2.229 1.00 0.00 C ATOM 97 O ASP A 10 22.522 17.898 3.052 1.00 0.00 O ATOM 98 CB ASP A 10 22.420 15.100 3.791 1.00 0.00 C ATOM 99 CG ASP A 10 22.811 15.621 5.159 1.00 0.00 C ATOM 100 OD1 ASP A 10 23.754 15.064 5.759 1.00 0.00 O ATOM 101 OD2 ASP A 10 22.173 16.586 5.632 1.00 0.00 O ATOM 0 H ASP A 10 24.803 16.205 4.042 1.00 0.00 H new ATOM 0 HA ASP A 10 23.278 14.980 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.381 15.361 3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 10 22.482 14.012 3.789 1.00 0.00 H new ATOM 106 N SER A 11 22.635 17.190 0.919 1.00 0.00 N ATOM 107 CA SER A 11 22.149 18.446 0.361 1.00 0.00 C ATOM 108 C SER A 11 20.833 18.237 -0.382 1.00 0.00 C ATOM 109 O SER A 11 19.916 19.053 -0.285 1.00 0.00 O ATOM 110 CB SER A 11 23.191 19.046 -0.584 1.00 0.00 C ATOM 111 OG SER A 11 23.040 20.452 -0.684 1.00 0.00 O ATOM 0 H SER A 11 22.844 16.473 0.224 1.00 0.00 H new ATOM 0 HA SER A 11 21.975 19.138 1.185 1.00 0.00 H new ATOM 0 HB2 SER A 11 24.192 18.809 -0.224 1.00 0.00 H new ATOM 0 HB3 SER A 11 23.093 18.595 -1.572 1.00 0.00 H new ATOM 0 HG SER A 11 23.719 20.811 -1.292 1.00 0.00 H new ATOM 117 N ARG A 12 20.747 17.137 -1.123 1.00 0.00 N ATOM 118 CA ARG A 12 19.545 16.820 -1.884 1.00 0.00 C ATOM 119 C ARG A 12 18.573 15.995 -1.045 1.00 0.00 C ATOM 120 O ARG A 12 18.456 14.782 -1.225 1.00 0.00 O ATOM 121 CB ARG A 12 19.909 16.058 -3.159 1.00 0.00 C ATOM 122 CG ARG A 12 18.945 16.299 -4.309 1.00 0.00 C ATOM 123 CD ARG A 12 17.671 15.485 -4.149 1.00 0.00 C ATOM 124 NE ARG A 12 17.826 14.121 -4.649 1.00 0.00 N ATOM 125 CZ ARG A 12 16.816 13.272 -4.794 1.00 0.00 C ATOM 126 NH1 ARG A 12 15.582 13.644 -4.480 1.00 0.00 N ATOM 127 NH2 ARG A 12 17.037 12.047 -5.256 1.00 0.00 N ATOM 0 H ARG A 12 21.496 16.450 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 12 19.059 17.757 -2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 12 20.913 16.347 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 12 19.939 14.991 -2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 12 18.696 17.359 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.428 16.039 -5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 12 17.390 15.455 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 12 16.857 15.976 -4.683 1.00 0.00 H new ATOM 0 HE ARG A 12 18.762 13.804 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.407 14.585 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.808 12.989 -4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.984 11.757 -5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.260 11.396 -5.367 1.00 0.00 H new ATOM 141 N LEU A 13 17.878 16.660 -0.129 1.00 0.00 N ATOM 142 CA LEU A 13 16.916 15.989 0.738 1.00 0.00 C ATOM 143 C LEU A 13 15.521 16.007 0.121 1.00 0.00 C ATOM 144 O LEU A 13 14.944 17.071 -0.106 1.00 0.00 O ATOM 145 CB LEU A 13 16.886 16.657 2.114 1.00 0.00 C ATOM 146 CG LEU A 13 18.197 16.634 2.900 1.00 0.00 C ATOM 147 CD1 LEU A 13 19.182 17.641 2.327 1.00 0.00 C ATOM 148 CD2 LEU A 13 17.941 16.915 4.373 1.00 0.00 C ATOM 0 H LEU A 13 17.963 17.664 0.033 1.00 0.00 H new ATOM 0 HA LEU A 13 17.230 14.951 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 13 16.581 17.696 1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.117 16.171 2.715 1.00 0.00 H new ATOM 0 HG LEU A 13 18.633 15.639 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 13 20.109 17.610 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.390 17.394 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 13 18.754 18.642 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 13 18.885 16.895 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.481 17.897 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.273 16.155 4.778 1.00 0.00 H new ATOM 160 N THR A 14 14.983 14.821 -0.147 1.00 0.00 N ATOM 161 CA THR A 14 13.656 14.700 -0.736 1.00 0.00 C ATOM 162 C THR A 14 12.621 15.471 0.075 1.00 0.00 C ATOM 163 O THR A 14 12.480 15.260 1.279 1.00 0.00 O ATOM 164 CB THR A 14 13.218 13.227 -0.837 1.00 0.00 C ATOM 165 OG1 THR A 14 13.217 12.626 0.463 1.00 0.00 O ATOM 166 CG2 THR A 14 14.144 12.449 -1.760 1.00 0.00 C ATOM 0 H THR A 14 15.447 13.931 0.035 1.00 0.00 H new ATOM 0 HA THR A 14 13.717 15.123 -1.739 1.00 0.00 H new ATOM 0 HB THR A 14 12.210 13.198 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.088 13.319 1.144 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.815 11.411 -1.816 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.120 12.891 -2.756 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.161 12.486 -1.371 1.00 0.00 H new ATOM 174 N ALA A 15 11.899 16.366 -0.592 1.00 0.00 N ATOM 175 CA ALA A 15 10.875 17.167 0.068 1.00 0.00 C ATOM 176 C ALA A 15 9.524 17.005 -0.620 1.00 0.00 C ATOM 177 O ALA A 15 8.478 17.062 0.024 1.00 0.00 O ATOM 178 CB ALA A 15 11.285 18.632 0.091 1.00 0.00 C ATOM 0 H ALA A 15 12.004 16.554 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 15 10.776 16.812 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.511 19.219 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.224 18.738 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.413 18.990 -0.931 1.00 0.00 H new ATOM 184 N GLY A 16 9.554 16.803 -1.934 1.00 0.00 N ATOM 185 CA GLY A 16 8.325 16.637 -2.687 1.00 0.00 C ATOM 186 C GLY A 16 7.889 15.188 -2.773 1.00 0.00 C ATOM 187 O GLY A 16 7.361 14.750 -3.796 1.00 0.00 O ATOM 0 H GLY A 16 10.408 16.751 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.534 17.224 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.463 17.032 -3.693 1.00 0.00 H new ATOM 191 N VAL A 17 8.110 14.440 -1.696 1.00 0.00 N ATOM 192 CA VAL A 17 7.737 13.031 -1.654 1.00 0.00 C ATOM 193 C VAL A 17 6.429 12.832 -0.897 1.00 0.00 C ATOM 194 O VAL A 17 6.126 13.538 0.065 1.00 0.00 O ATOM 195 CB VAL A 17 8.836 12.179 -0.992 1.00 0.00 C ATOM 196 CG1 VAL A 17 10.039 12.049 -1.913 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.241 12.779 0.347 1.00 0.00 C ATOM 0 H VAL A 17 8.545 14.787 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 17 7.609 12.706 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 17 8.438 11.180 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.805 11.444 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.734 11.571 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.441 13.039 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.018 12.164 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.621 13.789 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.374 12.814 1.007 1.00 0.00 H new ATOM 207 N PRO A 18 5.633 11.847 -1.340 1.00 0.00 N ATOM 208 CA PRO A 18 4.344 11.531 -0.717 1.00 0.00 C ATOM 209 C PRO A 18 4.505 10.911 0.667 1.00 0.00 C ATOM 210 O PRO A 18 5.044 9.813 0.807 1.00 0.00 O ATOM 211 CB PRO A 18 3.721 10.522 -1.685 1.00 0.00 C ATOM 212 CG PRO A 18 4.882 9.894 -2.377 1.00 0.00 C ATOM 213 CD PRO A 18 5.931 10.966 -2.482 1.00 0.00 C ATOM 0 HA PRO A 18 3.738 12.423 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.127 9.778 -1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.055 11.013 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.254 9.037 -1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.597 9.529 -3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.937 10.552 -2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.866 11.501 -3.430 1.00 0.00 H new ATOM 221 N ASP A 19 4.035 11.622 1.686 1.00 0.00 N ATOM 222 CA ASP A 19 4.125 11.141 3.060 1.00 0.00 C ATOM 223 C ASP A 19 3.570 9.725 3.177 1.00 0.00 C ATOM 224 O ASP A 19 3.051 9.167 2.210 1.00 0.00 O ATOM 225 CB ASP A 19 3.369 12.079 4.002 1.00 0.00 C ATOM 226 CG ASP A 19 3.939 12.070 5.407 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.142 12.368 5.562 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.181 11.767 6.352 1.00 0.00 O ATOM 0 H ASP A 19 3.588 12.533 1.587 1.00 0.00 H new ATOM 0 HA ASP A 19 5.177 11.124 3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.404 13.094 3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.320 11.786 4.037 1.00 0.00 H new ATOM 233 N THR A 20 3.682 9.147 4.369 1.00 0.00 N ATOM 234 CA THR A 20 3.193 7.796 4.613 1.00 0.00 C ATOM 235 C THR A 20 1.676 7.729 4.483 1.00 0.00 C ATOM 236 O THR A 20 0.943 8.540 5.050 1.00 0.00 O ATOM 237 CB THR A 20 3.600 7.296 6.012 1.00 0.00 C ATOM 238 OG1 THR A 20 5.003 7.498 6.216 1.00 0.00 O ATOM 239 CG2 THR A 20 3.266 5.821 6.178 1.00 0.00 C ATOM 0 H THR A 20 4.108 9.594 5.181 1.00 0.00 H new ATOM 0 HA THR A 20 3.648 7.154 3.859 1.00 0.00 H new ATOM 0 HB THR A 20 3.040 7.865 6.754 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.253 7.179 7.108 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.563 5.491 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.193 5.674 6.051 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.803 5.240 5.428 1.00 0.00 H new ATOM 247 N PRO A 21 1.190 6.738 3.720 1.00 0.00 N ATOM 248 CA PRO A 21 -0.245 6.541 3.499 1.00 0.00 C ATOM 249 C PRO A 21 -0.964 6.058 4.754 1.00 0.00 C ATOM 250 O PRO A 21 -0.387 5.349 5.580 1.00 0.00 O ATOM 251 CB PRO A 21 -0.292 5.466 2.410 1.00 0.00 C ATOM 252 CG PRO A 21 0.992 4.724 2.555 1.00 0.00 C ATOM 253 CD PRO A 21 2.005 5.735 3.015 1.00 0.00 C ATOM 0 HA PRO A 21 -0.746 7.469 3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.148 4.805 2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.383 5.910 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.895 3.913 3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.292 4.274 1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.749 5.287 3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.545 6.174 2.176 1.00 0.00 H new ATOM 261 N THR A 22 -2.228 6.445 4.893 1.00 0.00 N ATOM 262 CA THR A 22 -3.026 6.053 6.048 1.00 0.00 C ATOM 263 C THR A 22 -3.314 4.556 6.034 1.00 0.00 C ATOM 264 O THR A 22 -2.999 3.863 5.067 1.00 0.00 O ATOM 265 CB THR A 22 -4.360 6.820 6.096 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.179 8.150 5.595 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.901 6.878 7.517 1.00 0.00 C ATOM 0 H THR A 22 -2.722 7.030 4.219 1.00 0.00 H new ATOM 0 HA THR A 22 -2.442 6.300 6.934 1.00 0.00 H new ATOM 0 HB THR A 22 -5.080 6.291 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.032 8.631 5.627 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.844 7.425 7.525 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.065 5.865 7.885 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.182 7.385 8.160 1.00 0.00 H new ATOM 275 N ARG A 23 -3.914 4.064 7.113 1.00 0.00 N ATOM 276 CA ARG A 23 -4.244 2.648 7.224 1.00 0.00 C ATOM 277 C ARG A 23 -4.899 2.140 5.943 1.00 0.00 C ATOM 278 O ARG A 23 -5.221 2.920 5.046 1.00 0.00 O ATOM 279 CB ARG A 23 -5.175 2.412 8.415 1.00 0.00 C ATOM 280 CG ARG A 23 -4.617 2.918 9.735 1.00 0.00 C ATOM 281 CD ARG A 23 -5.526 2.556 10.899 1.00 0.00 C ATOM 282 NE ARG A 23 -6.892 3.030 10.694 1.00 0.00 N ATOM 283 CZ ARG A 23 -7.782 3.153 11.673 1.00 0.00 C ATOM 284 NH1 ARG A 23 -7.450 2.840 12.918 1.00 0.00 N ATOM 285 NH2 ARG A 23 -9.006 3.592 11.408 1.00 0.00 N ATOM 0 H ARG A 23 -4.181 4.624 7.922 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.318 2.096 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.129 2.902 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.377 1.344 8.501 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.627 2.493 9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.496 4.000 9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.534 1.474 11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.127 2.986 11.818 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.179 3.280 9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.510 2.504 13.126 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.135 2.935 13.668 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.265 3.835 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.688 3.686 12.160 1.00 0.00 H new ATOM 299 N LEU A 24 -5.093 0.828 5.865 1.00 0.00 N ATOM 300 CA LEU A 24 -5.709 0.215 4.693 1.00 0.00 C ATOM 301 C LEU A 24 -7.036 -0.444 5.058 1.00 0.00 C ATOM 302 O LEU A 24 -7.294 -0.741 6.224 1.00 0.00 O ATOM 303 CB LEU A 24 -4.765 -0.820 4.079 1.00 0.00 C ATOM 304 CG LEU A 24 -3.270 -0.561 4.268 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.452 -1.691 3.663 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.878 0.774 3.650 1.00 0.00 C ATOM 0 H LEU A 24 -4.833 0.169 6.599 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.903 1.000 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.001 -1.795 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.970 -0.881 3.010 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.060 -0.520 5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.391 -1.489 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.712 -2.630 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.666 -1.765 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.811 0.942 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.103 0.761 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.439 1.576 4.130 1.00 0.00 H new ATOM 318 N VAL A 25 -7.874 -0.671 4.052 1.00 0.00 N ATOM 319 CA VAL A 25 -9.173 -1.298 4.265 1.00 0.00 C ATOM 320 C VAL A 25 -9.329 -2.547 3.405 1.00 0.00 C ATOM 321 O VAL A 25 -9.412 -2.463 2.180 1.00 0.00 O ATOM 322 CB VAL A 25 -10.325 -0.324 3.951 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.646 -1.072 3.859 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.395 0.774 5.001 1.00 0.00 C ATOM 0 H VAL A 25 -7.677 -0.430 3.081 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.220 -1.578 5.317 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.131 0.142 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.448 -0.368 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.587 -1.818 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.851 -1.567 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.214 1.453 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.565 0.329 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.456 1.328 5.011 1.00 0.00 H new ATOM 334 N PHE A 26 -9.369 -3.705 4.055 1.00 0.00 N ATOM 335 CA PHE A 26 -9.515 -4.973 3.350 1.00 0.00 C ATOM 336 C PHE A 26 -10.979 -5.398 3.291 1.00 0.00 C ATOM 337 O PHE A 26 -11.712 -5.276 4.273 1.00 0.00 O ATOM 338 CB PHE A 26 -8.684 -6.060 4.035 1.00 0.00 C ATOM 339 CG PHE A 26 -7.266 -5.648 4.308 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.945 -4.942 5.456 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.254 -5.967 3.417 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.640 -4.561 5.711 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.948 -5.589 3.666 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.641 -4.885 4.814 1.00 0.00 C ATOM 0 H PHE A 26 -9.302 -3.792 5.069 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.154 -4.837 2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.162 -6.333 4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.681 -6.952 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.723 -4.686 6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.488 -6.517 2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.403 -4.011 6.610 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.168 -5.844 2.964 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.621 -4.588 5.010 1.00 0.00 H new ATOM 354 N SER A 27 -11.399 -5.896 2.133 1.00 0.00 N ATOM 355 CA SER A 27 -12.776 -6.335 1.943 1.00 0.00 C ATOM 356 C SER A 27 -12.895 -7.846 2.122 1.00 0.00 C ATOM 357 O SER A 27 -13.848 -8.338 2.724 1.00 0.00 O ATOM 358 CB SER A 27 -13.275 -5.933 0.554 1.00 0.00 C ATOM 359 OG SER A 27 -14.676 -6.118 0.442 1.00 0.00 O ATOM 0 H SER A 27 -10.805 -6.006 1.311 1.00 0.00 H new ATOM 0 HA SER A 27 -13.394 -5.848 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.026 -4.889 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.765 -6.526 -0.205 1.00 0.00 H new ATOM 0 HG SER A 27 -14.995 -5.707 -0.389 1.00 0.00 H new ATOM 365 N ALA A 28 -11.918 -8.576 1.593 1.00 0.00 N ATOM 366 CA ALA A 28 -11.911 -10.030 1.695 1.00 0.00 C ATOM 367 C ALA A 28 -13.117 -10.636 0.985 1.00 0.00 C ATOM 368 O ALA A 28 -13.856 -11.432 1.565 1.00 0.00 O ATOM 369 CB ALA A 28 -11.886 -10.457 3.155 1.00 0.00 C ATOM 0 H ALA A 28 -11.122 -8.184 1.090 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.010 -10.399 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.881 -11.545 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.990 -10.063 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.769 -10.069 3.663 1.00 0.00 H new ATOM 375 N LEU A 29 -13.310 -10.254 -0.273 1.00 0.00 N ATOM 376 CA LEU A 29 -14.428 -10.760 -1.063 1.00 0.00 C ATOM 377 C LEU A 29 -14.576 -12.269 -0.892 1.00 0.00 C ATOM 378 O LEU A 29 -15.673 -12.813 -1.015 1.00 0.00 O ATOM 379 CB LEU A 29 -14.229 -10.420 -2.541 1.00 0.00 C ATOM 380 CG LEU A 29 -14.108 -8.933 -2.876 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.900 -8.095 -1.884 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.648 -8.506 -2.891 1.00 0.00 C ATOM 0 H LEU A 29 -12.708 -9.596 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.340 -10.281 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.329 -10.926 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -15.066 -10.832 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.524 -8.770 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.802 -7.040 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.951 -8.381 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.516 -8.263 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.582 -7.445 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.207 -8.684 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.108 -9.082 -3.642 1.00 0.00 H new ATOM 394 N GLY A 30 -13.464 -12.939 -0.606 1.00 0.00 N ATOM 395 CA GLY A 30 -13.493 -14.378 -0.421 1.00 0.00 C ATOM 396 C GLY A 30 -12.199 -14.914 0.159 1.00 0.00 C ATOM 397 O GLY A 30 -11.342 -14.160 0.622 1.00 0.00 O ATOM 0 H GLY A 30 -12.544 -12.511 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.320 -14.640 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.686 -14.861 -1.379 1.00 0.00 H new ATOM 401 N PRO A 31 -12.045 -16.246 0.141 1.00 0.00 N ATOM 402 CA PRO A 31 -10.849 -16.912 0.667 1.00 0.00 C ATOM 403 C PRO A 31 -9.618 -16.659 -0.196 1.00 0.00 C ATOM 404 O PRO A 31 -8.488 -16.672 0.295 1.00 0.00 O ATOM 405 CB PRO A 31 -11.227 -18.395 0.638 1.00 0.00 C ATOM 406 CG PRO A 31 -12.263 -18.501 -0.427 1.00 0.00 C ATOM 407 CD PRO A 31 -13.025 -17.205 -0.395 1.00 0.00 C ATOM 0 HA PRO A 31 -10.581 -16.546 1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.363 -19.020 0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.615 -18.724 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.804 -18.660 -1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.925 -19.347 -0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.368 -16.916 -1.388 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.908 -17.274 0.240 1.00 0.00 H new ATOM 415 N THR A 32 -9.842 -16.428 -1.486 1.00 0.00 N ATOM 416 CA THR A 32 -8.751 -16.172 -2.418 1.00 0.00 C ATOM 417 C THR A 32 -8.900 -14.806 -3.078 1.00 0.00 C ATOM 418 O THR A 32 -8.294 -14.539 -4.115 1.00 0.00 O ATOM 419 CB THR A 32 -8.682 -17.254 -3.512 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.968 -17.417 -4.121 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.218 -18.582 -2.933 1.00 0.00 C ATOM 0 H THR A 32 -10.770 -16.413 -1.909 1.00 0.00 H new ATOM 0 HA THR A 32 -7.828 -16.193 -1.838 1.00 0.00 H new ATOM 0 HB THR A 32 -7.961 -16.933 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.916 -18.105 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.177 -19.330 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.227 -18.462 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.917 -18.907 -2.162 1.00 0.00 H new ATOM 429 N SER A 33 -9.709 -13.945 -2.469 1.00 0.00 N ATOM 430 CA SER A 33 -9.940 -12.607 -3.000 1.00 0.00 C ATOM 431 C SER A 33 -9.916 -11.568 -1.884 1.00 0.00 C ATOM 432 O SER A 33 -10.322 -11.843 -0.754 1.00 0.00 O ATOM 433 CB SER A 33 -11.281 -12.551 -3.735 1.00 0.00 C ATOM 434 OG SER A 33 -12.241 -13.384 -3.109 1.00 0.00 O ATOM 0 H SER A 33 -10.215 -14.150 -1.608 1.00 0.00 H new ATOM 0 HA SER A 33 -9.139 -12.379 -3.703 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.645 -11.524 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.145 -12.862 -4.771 1.00 0.00 H new ATOM 0 HG SER A 33 -13.089 -13.329 -3.597 1.00 0.00 H new ATOM 440 N LEU A 34 -9.436 -10.372 -2.208 1.00 0.00 N ATOM 441 CA LEU A 34 -9.358 -9.290 -1.233 1.00 0.00 C ATOM 442 C LEU A 34 -9.385 -7.931 -1.925 1.00 0.00 C ATOM 443 O LEU A 34 -9.191 -7.836 -3.137 1.00 0.00 O ATOM 444 CB LEU A 34 -8.084 -9.422 -0.395 1.00 0.00 C ATOM 445 CG LEU A 34 -8.213 -10.228 0.898 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.900 -10.922 1.227 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.645 -9.329 2.046 1.00 0.00 C ATOM 0 H LEU A 34 -9.095 -10.127 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.226 -9.362 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.313 -9.884 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.734 -8.421 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.978 -10.991 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.010 -11.491 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.632 -11.597 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.115 -10.176 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.732 -9.920 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.904 -8.543 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.610 -8.879 1.812 1.00 0.00 H new ATOM 459 N ARG A 35 -9.626 -6.881 -1.146 1.00 0.00 N ATOM 460 CA ARG A 35 -9.678 -5.527 -1.684 1.00 0.00 C ATOM 461 C ARG A 35 -9.073 -4.528 -0.702 1.00 0.00 C ATOM 462 O ARG A 35 -9.687 -4.184 0.308 1.00 0.00 O ATOM 463 CB ARG A 35 -11.123 -5.136 -2.000 1.00 0.00 C ATOM 464 CG ARG A 35 -11.255 -3.768 -2.649 1.00 0.00 C ATOM 465 CD ARG A 35 -12.709 -3.330 -2.733 1.00 0.00 C ATOM 466 NE ARG A 35 -12.872 -2.123 -3.539 1.00 0.00 N ATOM 467 CZ ARG A 35 -12.642 -0.897 -3.082 1.00 0.00 C ATOM 468 NH1 ARG A 35 -12.242 -0.717 -1.831 1.00 0.00 N ATOM 469 NH2 ARG A 35 -12.812 0.152 -3.877 1.00 0.00 N ATOM 0 H ARG A 35 -9.788 -6.942 -0.141 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.093 -5.506 -2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.557 -5.886 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.704 -5.149 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.686 -3.036 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.824 -3.795 -3.650 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.306 -4.135 -3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.092 -3.149 -1.728 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.179 -2.227 -4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.110 -1.521 -1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.066 0.225 -1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.120 0.017 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.635 1.093 -3.525 1.00 0.00 H new ATOM 483 N VAL A 36 -7.863 -4.066 -1.005 1.00 0.00 N ATOM 484 CA VAL A 36 -7.175 -3.107 -0.150 1.00 0.00 C ATOM 485 C VAL A 36 -7.469 -1.675 -0.582 1.00 0.00 C ATOM 486 O VAL A 36 -7.430 -1.354 -1.770 1.00 0.00 O ATOM 487 CB VAL A 36 -5.652 -3.333 -0.165 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.928 -2.136 0.431 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.295 -4.609 0.583 1.00 0.00 C ATOM 0 H VAL A 36 -7.340 -4.341 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.548 -3.262 0.862 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.329 -3.444 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.853 -2.314 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.158 -1.244 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.253 -1.990 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.215 -4.753 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.631 -4.531 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.783 -5.459 0.106 1.00 0.00 H new ATOM 499 N SER A 37 -7.764 -0.818 0.390 1.00 0.00 N ATOM 500 CA SER A 37 -8.069 0.581 0.109 1.00 0.00 C ATOM 501 C SER A 37 -7.342 1.501 1.085 1.00 0.00 C ATOM 502 O SER A 37 -7.443 1.339 2.301 1.00 0.00 O ATOM 503 CB SER A 37 -9.577 0.822 0.190 1.00 0.00 C ATOM 504 OG SER A 37 -9.862 2.187 0.443 1.00 0.00 O ATOM 0 H SER A 37 -7.798 -1.067 1.379 1.00 0.00 H new ATOM 0 HA SER A 37 -7.726 0.807 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.048 0.516 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.005 0.205 0.980 1.00 0.00 H new ATOM 0 HG SER A 37 -9.985 2.659 -0.407 1.00 0.00 H new ATOM 510 N TRP A 38 -6.609 2.467 0.542 1.00 0.00 N ATOM 511 CA TRP A 38 -5.864 3.414 1.364 1.00 0.00 C ATOM 512 C TRP A 38 -6.333 4.842 1.109 1.00 0.00 C ATOM 513 O TRP A 38 -7.279 5.068 0.355 1.00 0.00 O ATOM 514 CB TRP A 38 -4.366 3.297 1.082 1.00 0.00 C ATOM 515 CG TRP A 38 -4.019 3.469 -0.366 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.567 4.606 -0.972 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.097 2.471 -1.390 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.361 4.376 -2.310 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.678 3.074 -2.592 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.480 1.127 -1.408 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.631 2.378 -3.797 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.433 0.437 -2.605 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.011 1.063 -3.786 1.00 0.00 C ATOM 0 H TRP A 38 -6.515 2.615 -0.463 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.049 3.173 2.411 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.834 4.047 1.667 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.015 2.322 1.419 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.396 5.548 -0.472 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.026 5.064 -2.985 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.807 0.636 -0.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.306 2.859 -4.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.726 -0.602 -2.631 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.985 0.497 -4.705 1.00 0.00 H new ATOM 534 N GLN A 39 -5.664 5.802 1.741 1.00 0.00 N ATOM 535 CA GLN A 39 -6.014 7.208 1.581 1.00 0.00 C ATOM 536 C GLN A 39 -4.901 7.968 0.866 1.00 0.00 C ATOM 537 O GLN A 39 -3.792 7.459 0.709 1.00 0.00 O ATOM 538 CB GLN A 39 -6.289 7.845 2.944 1.00 0.00 C ATOM 539 CG GLN A 39 -7.745 7.761 3.373 1.00 0.00 C ATOM 540 CD GLN A 39 -8.094 6.422 3.991 1.00 0.00 C ATOM 541 OE1 GLN A 39 -8.158 6.287 5.213 1.00 0.00 O ATOM 542 NE2 GLN A 39 -8.323 5.422 3.148 1.00 0.00 N ATOM 0 H GLN A 39 -4.878 5.631 2.368 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.917 7.265 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.669 7.357 3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.988 8.892 2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.955 8.554 4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.385 7.936 2.508 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.259 5.578 2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.563 4.498 3.506 1.00 0.00 H new ATOM 551 N GLU A 40 -5.207 9.187 0.434 1.00 0.00 N ATOM 552 CA GLU A 40 -4.232 10.016 -0.265 1.00 0.00 C ATOM 553 C GLU A 40 -3.415 10.845 0.722 1.00 0.00 C ATOM 554 O GLU A 40 -3.908 11.792 1.334 1.00 0.00 O ATOM 555 CB GLU A 40 -4.936 10.939 -1.263 1.00 0.00 C ATOM 556 CG GLU A 40 -3.981 11.681 -2.183 1.00 0.00 C ATOM 557 CD GLU A 40 -3.514 12.999 -1.597 1.00 0.00 C ATOM 558 OE1 GLU A 40 -4.290 13.623 -0.844 1.00 0.00 O ATOM 559 OE2 GLU A 40 -2.371 13.407 -1.893 1.00 0.00 O ATOM 0 H GLU A 40 -6.121 9.622 0.556 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.554 9.356 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.625 10.349 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.536 11.665 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.115 11.051 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.472 11.866 -3.138 1.00 0.00 H new ATOM 566 N PRO A 41 -2.134 10.480 0.881 1.00 0.00 N ATOM 567 CA PRO A 41 -1.220 11.176 1.792 1.00 0.00 C ATOM 568 C PRO A 41 -0.863 12.574 1.299 1.00 0.00 C ATOM 569 O PRO A 41 -1.220 12.960 0.185 1.00 0.00 O ATOM 570 CB PRO A 41 0.021 10.280 1.803 1.00 0.00 C ATOM 571 CG PRO A 41 -0.022 9.558 0.500 1.00 0.00 C ATOM 572 CD PRO A 41 -1.478 9.361 0.183 1.00 0.00 C ATOM 0 HA PRO A 41 -1.663 11.326 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.933 10.868 1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.000 9.584 2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.473 10.134 -0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.496 8.601 0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.663 9.393 -0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.840 8.397 0.540 1.00 0.00 H new ATOM 580 N ARG A 42 -0.157 13.329 2.134 1.00 0.00 N ATOM 581 CA ARG A 42 0.247 14.685 1.783 1.00 0.00 C ATOM 582 C ARG A 42 1.418 14.667 0.805 1.00 0.00 C ATOM 583 O ARG A 42 2.429 14.005 1.044 1.00 0.00 O ATOM 584 CB ARG A 42 0.630 15.468 3.040 1.00 0.00 C ATOM 585 CG ARG A 42 1.834 14.896 3.770 1.00 0.00 C ATOM 586 CD ARG A 42 2.198 15.733 4.986 1.00 0.00 C ATOM 587 NE ARG A 42 3.543 15.438 5.472 1.00 0.00 N ATOM 588 CZ ARG A 42 4.264 16.284 6.199 1.00 0.00 C ATOM 589 NH1 ARG A 42 3.771 17.471 6.525 1.00 0.00 N ATOM 590 NH2 ARG A 42 5.481 15.943 6.604 1.00 0.00 N ATOM 0 H ARG A 42 0.147 13.024 3.059 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.599 15.176 1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.840 16.501 2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.222 15.486 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.620 13.874 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.685 14.850 3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.129 16.791 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.477 15.548 5.782 1.00 0.00 H new ATOM 0 HE ARG A 42 3.951 14.532 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.835 17.737 6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.327 18.118 7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.864 15.030 6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.034 16.594 7.162 1.00 0.00 H new ATOM 604 N CYS A 43 1.274 15.397 -0.295 1.00 0.00 N ATOM 605 CA CYS A 43 2.320 15.464 -1.310 1.00 0.00 C ATOM 606 C CYS A 43 2.315 16.821 -2.007 1.00 0.00 C ATOM 607 O CYS A 43 1.351 17.179 -2.683 1.00 0.00 O ATOM 608 CB CYS A 43 2.133 14.348 -2.339 1.00 0.00 C ATOM 609 SG CYS A 43 1.363 12.853 -1.675 1.00 0.00 S ATOM 0 H CYS A 43 0.444 15.951 -0.507 1.00 0.00 H new ATOM 0 HA CYS A 43 3.282 15.334 -0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.523 14.724 -3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.105 14.088 -2.758 1.00 0.00 H new ATOM 0 HG CYS A 43 0.285 13.173 -1.022 1.00 0.00 H new ATOM 615 N GLU A 44 3.398 17.572 -1.836 1.00 0.00 N ATOM 616 CA GLU A 44 3.517 18.891 -2.447 1.00 0.00 C ATOM 617 C GLU A 44 3.388 18.801 -3.965 1.00 0.00 C ATOM 618 O GLU A 44 3.026 19.774 -4.627 1.00 0.00 O ATOM 619 CB GLU A 44 4.855 19.532 -2.075 1.00 0.00 C ATOM 620 CG GLU A 44 4.887 21.037 -2.276 1.00 0.00 C ATOM 621 CD GLU A 44 6.273 21.553 -2.611 1.00 0.00 C ATOM 622 OE1 GLU A 44 6.713 21.368 -3.765 1.00 0.00 O ATOM 623 OE2 GLU A 44 6.918 22.142 -1.718 1.00 0.00 O ATOM 0 H GLU A 44 4.205 17.290 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 44 2.707 19.513 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.077 19.309 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.645 19.077 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.200 21.307 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.530 21.528 -1.371 1.00 0.00 H new ATOM 630 N ARG A 45 3.689 17.627 -4.510 1.00 0.00 N ATOM 631 CA ARG A 45 3.609 17.409 -5.949 1.00 0.00 C ATOM 632 C ARG A 45 2.519 16.397 -6.287 1.00 0.00 C ATOM 633 O ARG A 45 2.129 15.569 -5.462 1.00 0.00 O ATOM 634 CB ARG A 45 4.956 16.923 -6.489 1.00 0.00 C ATOM 635 CG ARG A 45 6.012 18.014 -6.562 1.00 0.00 C ATOM 636 CD ARG A 45 5.690 19.028 -7.648 1.00 0.00 C ATOM 637 NE ARG A 45 6.816 19.921 -7.914 1.00 0.00 N ATOM 638 CZ ARG A 45 6.909 20.682 -8.998 1.00 0.00 C ATOM 639 NH1 ARG A 45 5.950 20.660 -9.913 1.00 0.00 N ATOM 640 NH2 ARG A 45 7.965 21.468 -9.169 1.00 0.00 N ATOM 0 H ARG A 45 3.991 16.812 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 45 3.357 18.359 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.323 16.116 -5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.809 16.504 -7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.081 18.520 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.986 17.566 -6.758 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.418 18.504 -8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.823 19.617 -7.349 1.00 0.00 H new ATOM 0 HE ARG A 45 7.571 19.962 -7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.137 20.057 -9.786 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.025 21.246 -10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.705 21.487 -8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.036 22.052 -10.002 1.00 0.00 H new ATOM 654 N PRO A 46 2.013 16.463 -7.527 1.00 0.00 N ATOM 655 CA PRO A 46 0.960 15.560 -8.002 1.00 0.00 C ATOM 656 C PRO A 46 1.459 14.130 -8.176 1.00 0.00 C ATOM 657 O PRO A 46 2.433 13.883 -8.889 1.00 0.00 O ATOM 658 CB PRO A 46 0.564 16.157 -9.355 1.00 0.00 C ATOM 659 CG PRO A 46 1.773 16.900 -9.809 1.00 0.00 C ATOM 660 CD PRO A 46 2.429 17.424 -8.562 1.00 0.00 C ATOM 0 HA PRO A 46 0.134 15.489 -7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.288 15.378 -10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.296 16.820 -9.259 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.449 16.246 -10.360 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.501 17.715 -10.479 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.514 17.460 -8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.097 18.435 -8.328 1.00 0.00 H new ATOM 668 N LEU A 47 0.786 13.190 -7.521 1.00 0.00 N ATOM 669 CA LEU A 47 1.160 11.782 -7.605 1.00 0.00 C ATOM 670 C LEU A 47 0.942 11.243 -9.014 1.00 0.00 C ATOM 671 O LEU A 47 0.128 11.771 -9.772 1.00 0.00 O ATOM 672 CB LEU A 47 0.352 10.959 -6.600 1.00 0.00 C ATOM 673 CG LEU A 47 0.278 11.518 -5.179 1.00 0.00 C ATOM 674 CD1 LEU A 47 -1.011 11.081 -4.500 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.487 11.075 -4.368 1.00 0.00 C ATOM 0 H LEU A 47 -0.021 13.377 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 47 2.220 11.698 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.664 10.854 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.780 9.958 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 47 0.283 12.606 -5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.046 11.488 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.865 11.448 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.047 9.993 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.418 11.482 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.513 9.986 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.398 11.439 -4.844 1.00 0.00 H new ATOM 687 N GLN A 48 1.673 10.187 -9.359 1.00 0.00 N ATOM 688 CA GLN A 48 1.558 9.576 -10.677 1.00 0.00 C ATOM 689 C GLN A 48 0.847 8.229 -10.593 1.00 0.00 C ATOM 690 O GLN A 48 0.309 7.737 -11.583 1.00 0.00 O ATOM 691 CB GLN A 48 2.942 9.397 -11.303 1.00 0.00 C ATOM 692 CG GLN A 48 3.599 10.705 -11.711 1.00 0.00 C ATOM 693 CD GLN A 48 5.112 10.616 -11.737 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.698 9.660 -11.227 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.755 11.613 -12.334 1.00 0.00 N ATOM 0 H GLN A 48 2.351 9.738 -8.743 1.00 0.00 H new ATOM 0 HA GLN A 48 0.966 10.240 -11.306 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.589 8.881 -10.593 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.855 8.755 -12.180 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.239 10.995 -12.698 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.297 11.490 -11.018 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.230 12.386 -12.744 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.774 11.606 -12.383 1.00 0.00 H new ATOM 704 N GLY A 49 0.849 7.638 -9.402 1.00 0.00 N ATOM 705 CA GLY A 49 0.202 6.354 -9.210 1.00 0.00 C ATOM 706 C GLY A 49 0.316 5.854 -7.783 1.00 0.00 C ATOM 707 O GLY A 49 0.313 6.645 -6.839 1.00 0.00 O ATOM 0 H GLY A 49 1.287 8.026 -8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.851 6.437 -9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.647 5.622 -9.885 1.00 0.00 H new ATOM 711 N TYR A 50 0.414 4.539 -7.624 1.00 0.00 N ATOM 712 CA TYR A 50 0.525 3.935 -6.302 1.00 0.00 C ATOM 713 C TYR A 50 1.179 2.559 -6.385 1.00 0.00 C ATOM 714 O TYR A 50 1.281 1.971 -7.461 1.00 0.00 O ATOM 715 CB TYR A 50 -0.856 3.817 -5.655 1.00 0.00 C ATOM 716 CG TYR A 50 -1.281 5.058 -4.903 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.870 5.274 -3.593 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.092 6.014 -5.501 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.256 6.407 -2.901 1.00 0.00 C ATOM 720 CE2 TYR A 50 -2.481 7.150 -4.818 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.061 7.341 -3.518 1.00 0.00 C ATOM 722 OH TYR A 50 -2.448 8.471 -2.834 1.00 0.00 O ATOM 0 H TYR A 50 0.419 3.871 -8.395 1.00 0.00 H new ATOM 0 HA TYR A 50 1.153 4.580 -5.687 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.593 3.601 -6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.856 2.969 -4.970 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.239 4.545 -3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.424 5.867 -6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.929 6.560 -1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.110 7.884 -5.299 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.012 9.026 -3.412 1.00 0.00 H new ATOM 732 N SER A 51 1.621 2.052 -5.238 1.00 0.00 N ATOM 733 CA SER A 51 2.269 0.746 -5.180 1.00 0.00 C ATOM 734 C SER A 51 1.705 -0.089 -4.034 1.00 0.00 C ATOM 735 O SER A 51 1.623 0.373 -2.896 1.00 0.00 O ATOM 736 CB SER A 51 3.780 0.911 -5.011 1.00 0.00 C ATOM 737 OG SER A 51 4.117 1.164 -3.658 1.00 0.00 O ATOM 0 H SER A 51 1.542 2.525 -4.338 1.00 0.00 H new ATOM 0 HA SER A 51 2.070 0.226 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.288 0.009 -5.353 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.132 1.732 -5.636 1.00 0.00 H new ATOM 0 HG SER A 51 5.009 0.805 -3.470 1.00 0.00 H new ATOM 743 N VAL A 52 1.318 -1.322 -4.343 1.00 0.00 N ATOM 744 CA VAL A 52 0.763 -2.223 -3.341 1.00 0.00 C ATOM 745 C VAL A 52 1.458 -3.580 -3.377 1.00 0.00 C ATOM 746 O VAL A 52 1.095 -4.453 -4.164 1.00 0.00 O ATOM 747 CB VAL A 52 -0.750 -2.428 -3.546 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.314 -3.349 -2.475 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.473 -1.090 -3.545 1.00 0.00 C ATOM 0 H VAL A 52 1.379 -1.720 -5.280 1.00 0.00 H new ATOM 0 HA VAL A 52 0.930 -1.757 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.907 -2.900 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.384 -3.482 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.816 -4.317 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.147 -2.909 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.541 -1.253 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.310 -0.589 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.087 -0.468 -4.352 1.00 0.00 H new ATOM 759 N GLU A 53 2.458 -3.749 -2.518 1.00 0.00 N ATOM 760 CA GLU A 53 3.204 -5.000 -2.452 1.00 0.00 C ATOM 761 C GLU A 53 2.742 -5.847 -1.270 1.00 0.00 C ATOM 762 O GLU A 53 2.618 -5.353 -0.149 1.00 0.00 O ATOM 763 CB GLU A 53 4.704 -4.720 -2.338 1.00 0.00 C ATOM 764 CG GLU A 53 5.410 -4.630 -3.680 1.00 0.00 C ATOM 765 CD GLU A 53 6.853 -4.183 -3.551 1.00 0.00 C ATOM 766 OE1 GLU A 53 7.447 -4.394 -2.473 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.389 -3.621 -4.530 1.00 0.00 O ATOM 0 H GLU A 53 2.770 -3.036 -1.859 1.00 0.00 H new ATOM 0 HA GLU A 53 3.014 -5.555 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.850 -3.785 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.168 -5.508 -1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.377 -5.603 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.873 -3.932 -4.323 1.00 0.00 H new ATOM 774 N TYR A 54 2.489 -7.125 -1.529 1.00 0.00 N ATOM 775 CA TYR A 54 2.038 -8.041 -0.488 1.00 0.00 C ATOM 776 C TYR A 54 2.767 -9.378 -0.585 1.00 0.00 C ATOM 777 O TYR A 54 3.160 -9.804 -1.671 1.00 0.00 O ATOM 778 CB TYR A 54 0.529 -8.262 -0.592 1.00 0.00 C ATOM 779 CG TYR A 54 0.123 -9.134 -1.759 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.202 -10.519 -1.677 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.337 -8.573 -2.944 1.00 0.00 C ATOM 782 CE1 TYR A 54 -0.167 -11.319 -2.741 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.709 -9.366 -4.012 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.622 -10.738 -3.906 1.00 0.00 C ATOM 785 OH TYR A 54 -0.990 -11.532 -4.968 1.00 0.00 O ATOM 0 H TYR A 54 2.589 -7.550 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 54 2.267 -7.592 0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.173 -8.717 0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.034 -7.295 -0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.558 -10.978 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.405 -7.499 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.100 -12.394 -2.661 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.066 -8.914 -4.925 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.288 -10.967 -5.711 1.00 0.00 H new ATOM 795 N GLN A 55 2.942 -10.034 0.557 1.00 0.00 N ATOM 796 CA GLN A 55 3.623 -11.323 0.601 1.00 0.00 C ATOM 797 C GLN A 55 3.324 -12.052 1.907 1.00 0.00 C ATOM 798 O GLN A 55 3.084 -11.425 2.940 1.00 0.00 O ATOM 799 CB GLN A 55 5.132 -11.131 0.444 1.00 0.00 C ATOM 800 CG GLN A 55 5.834 -10.746 1.736 1.00 0.00 C ATOM 801 CD GLN A 55 7.248 -10.247 1.507 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.637 -9.194 2.012 1.00 0.00 O ATOM 803 NE2 GLN A 55 8.025 -11.003 0.740 1.00 0.00 N ATOM 0 H GLN A 55 2.622 -9.695 1.464 1.00 0.00 H new ATOM 0 HA GLN A 55 3.253 -11.930 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.570 -12.054 0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.316 -10.359 -0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.257 -9.972 2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.861 -11.609 2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.661 -11.869 0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.986 -10.718 0.549 1.00 0.00 H new ATOM 812 N LEU A 56 3.339 -13.379 1.854 1.00 0.00 N ATOM 813 CA LEU A 56 3.070 -14.195 3.033 1.00 0.00 C ATOM 814 C LEU A 56 3.657 -13.553 4.286 1.00 0.00 C ATOM 815 O LEU A 56 4.871 -13.370 4.392 1.00 0.00 O ATOM 816 CB LEU A 56 3.646 -15.600 2.848 1.00 0.00 C ATOM 817 CG LEU A 56 2.739 -16.610 2.146 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.515 -17.870 1.793 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.539 -16.948 3.019 1.00 0.00 C ATOM 0 H LEU A 56 3.535 -13.913 1.007 1.00 0.00 H new ATOM 0 HA LEU A 56 1.989 -14.266 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.573 -15.519 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.906 -15.996 3.829 1.00 0.00 H new ATOM 0 HG LEU A 56 2.375 -16.161 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.853 -18.577 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.340 -17.615 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.909 -18.322 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.905 -17.668 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.883 -17.377 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.969 -16.041 3.220 1.00 0.00 H new ATOM 831 N LEU A 57 2.789 -13.214 5.233 1.00 0.00 N ATOM 832 CA LEU A 57 3.222 -12.594 6.481 1.00 0.00 C ATOM 833 C LEU A 57 4.583 -13.131 6.912 1.00 0.00 C ATOM 834 O LEU A 57 5.547 -12.377 7.040 1.00 0.00 O ATOM 835 CB LEU A 57 2.190 -12.844 7.582 1.00 0.00 C ATOM 836 CG LEU A 57 2.135 -11.801 8.699 1.00 0.00 C ATOM 837 CD1 LEU A 57 1.219 -12.267 9.820 1.00 0.00 C ATOM 838 CD2 LEU A 57 3.531 -11.516 9.232 1.00 0.00 C ATOM 0 H LEU A 57 1.782 -13.358 5.161 1.00 0.00 H new ATOM 0 HA LEU A 57 3.312 -11.521 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.204 -12.906 7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.394 -13.817 8.030 1.00 0.00 H new ATOM 0 HG LEU A 57 1.730 -10.877 8.287 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.192 -11.512 10.606 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.213 -12.419 9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.594 -13.205 10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.472 -10.772 10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.964 -12.435 9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.158 -11.137 8.425 1.00 0.00 H new ATOM 850 N ASN A 58 4.654 -14.440 7.134 1.00 0.00 N ATOM 851 CA ASN A 58 5.897 -15.079 7.549 1.00 0.00 C ATOM 852 C ASN A 58 6.973 -14.924 6.478 1.00 0.00 C ATOM 853 O ASN A 58 8.118 -14.588 6.778 1.00 0.00 O ATOM 854 CB ASN A 58 5.661 -16.562 7.840 1.00 0.00 C ATOM 855 CG ASN A 58 5.440 -17.371 6.576 1.00 0.00 C ATOM 856 OD1 ASN A 58 6.392 -17.738 5.886 1.00 0.00 O ATOM 857 ND2 ASN A 58 4.180 -17.651 6.266 1.00 0.00 N ATOM 0 H ASN A 58 3.865 -15.078 7.033 1.00 0.00 H new ATOM 0 HA ASN A 58 6.242 -14.588 8.459 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.518 -16.964 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.794 -16.668 8.492 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.969 -18.191 5.427 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.423 -17.326 6.867 1.00 0.00 H new ATOM 864 N GLY A 59 6.595 -15.170 5.227 1.00 0.00 N ATOM 865 CA GLY A 59 7.538 -15.052 4.131 1.00 0.00 C ATOM 866 C GLY A 59 7.292 -16.078 3.042 1.00 0.00 C ATOM 867 O GLY A 59 7.036 -17.247 3.327 1.00 0.00 O ATOM 0 H GLY A 59 5.653 -15.449 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.472 -14.051 3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.552 -15.169 4.514 1.00 0.00 H new ATOM 871 N GLY A 60 7.368 -15.639 1.789 1.00 0.00 N ATOM 872 CA GLY A 60 7.147 -16.539 0.673 1.00 0.00 C ATOM 873 C GLY A 60 7.270 -15.842 -0.668 1.00 0.00 C ATOM 874 O GLY A 60 8.367 -15.468 -1.081 1.00 0.00 O ATOM 0 H GLY A 60 7.579 -14.676 1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.867 -17.356 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.155 -16.982 0.759 1.00 0.00 H new ATOM 878 N GLU A 61 6.142 -15.668 -1.348 1.00 0.00 N ATOM 879 CA GLU A 61 6.129 -15.013 -2.651 1.00 0.00 C ATOM 880 C GLU A 61 5.651 -13.569 -2.530 1.00 0.00 C ATOM 881 O GLU A 61 4.599 -13.298 -1.948 1.00 0.00 O ATOM 882 CB GLU A 61 5.230 -15.780 -3.623 1.00 0.00 C ATOM 883 CG GLU A 61 5.615 -15.596 -5.082 1.00 0.00 C ATOM 884 CD GLU A 61 5.118 -16.725 -5.963 1.00 0.00 C ATOM 885 OE1 GLU A 61 4.065 -17.312 -5.639 1.00 0.00 O ATOM 886 OE2 GLU A 61 5.783 -17.021 -6.978 1.00 0.00 O ATOM 0 H GLU A 61 5.225 -15.971 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 61 7.148 -15.008 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.266 -16.841 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.199 -15.455 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.209 -14.652 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.700 -15.528 -5.162 1.00 0.00 H new ATOM 893 N LEU A 62 6.430 -12.646 -3.082 1.00 0.00 N ATOM 894 CA LEU A 62 6.087 -11.229 -3.036 1.00 0.00 C ATOM 895 C LEU A 62 5.479 -10.772 -4.358 1.00 0.00 C ATOM 896 O LEU A 62 6.056 -10.984 -5.425 1.00 0.00 O ATOM 897 CB LEU A 62 7.329 -10.394 -2.718 1.00 0.00 C ATOM 898 CG LEU A 62 7.157 -8.877 -2.801 1.00 0.00 C ATOM 899 CD1 LEU A 62 7.025 -8.433 -4.249 1.00 0.00 C ATOM 900 CD2 LEU A 62 5.946 -8.432 -1.992 1.00 0.00 C ATOM 0 H LEU A 62 7.303 -12.853 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 62 5.347 -11.085 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.665 -10.647 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.125 -10.687 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 62 8.045 -8.407 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.903 -7.351 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.921 -8.718 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.155 -8.912 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.839 -7.350 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.050 -8.912 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.081 -8.716 -0.948 1.00 0.00 H new ATOM 912 N HIS A 63 4.311 -10.143 -4.280 1.00 0.00 N ATOM 913 CA HIS A 63 3.625 -9.653 -5.471 1.00 0.00 C ATOM 914 C HIS A 63 3.553 -8.129 -5.469 1.00 0.00 C ATOM 915 O HIS A 63 2.962 -7.528 -4.572 1.00 0.00 O ATOM 916 CB HIS A 63 2.217 -10.242 -5.553 1.00 0.00 C ATOM 917 CG HIS A 63 2.198 -11.732 -5.705 1.00 0.00 C ATOM 918 ND1 HIS A 63 1.686 -12.369 -6.816 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.634 -12.712 -4.880 1.00 0.00 C ATOM 920 CE1 HIS A 63 1.807 -13.676 -6.666 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.379 -13.911 -5.500 1.00 0.00 N ATOM 0 H HIS A 63 3.819 -9.960 -3.405 1.00 0.00 H new ATOM 0 HA HIS A 63 4.195 -9.971 -6.344 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.665 -9.970 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.693 -9.792 -6.396 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.097 -12.577 -3.914 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.491 -14.425 -7.377 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.596 -14.833 -5.121 1.00 0.00 H new ATOM 929 N ARG A 64 4.158 -7.512 -6.478 1.00 0.00 N ATOM 930 CA ARG A 64 4.164 -6.058 -6.591 1.00 0.00 C ATOM 931 C ARG A 64 3.051 -5.580 -7.520 1.00 0.00 C ATOM 932 O ARG A 64 3.003 -5.955 -8.692 1.00 0.00 O ATOM 933 CB ARG A 64 5.519 -5.571 -7.107 1.00 0.00 C ATOM 934 CG ARG A 64 5.643 -4.057 -7.156 1.00 0.00 C ATOM 935 CD ARG A 64 6.796 -3.621 -8.046 1.00 0.00 C ATOM 936 NE ARG A 64 6.726 -2.200 -8.377 1.00 0.00 N ATOM 937 CZ ARG A 64 7.081 -1.232 -7.539 1.00 0.00 C ATOM 938 NH1 ARG A 64 7.529 -1.531 -6.327 1.00 0.00 N ATOM 939 NH2 ARG A 64 6.989 0.038 -7.912 1.00 0.00 N ATOM 0 H ARG A 64 4.650 -7.996 -7.229 1.00 0.00 H new ATOM 0 HA ARG A 64 3.990 -5.641 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.307 -5.971 -6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.684 -5.973 -8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.713 -3.627 -7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.794 -3.670 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.741 -3.830 -7.544 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.787 -4.208 -8.964 1.00 0.00 H new ATOM 0 HE ARG A 64 6.386 -1.937 -9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.602 -2.506 -6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.801 -0.786 -5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.645 0.272 -8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.262 0.780 -7.267 1.00 0.00 H new ATOM 953 N LEU A 65 2.159 -4.752 -6.988 1.00 0.00 N ATOM 954 CA LEU A 65 1.046 -4.223 -7.769 1.00 0.00 C ATOM 955 C LEU A 65 1.230 -2.734 -8.040 1.00 0.00 C ATOM 956 O LEU A 65 1.349 -1.934 -7.112 1.00 0.00 O ATOM 957 CB LEU A 65 -0.276 -4.460 -7.036 1.00 0.00 C ATOM 958 CG LEU A 65 -0.569 -5.906 -6.632 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.745 -5.963 -5.670 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.843 -6.758 -7.863 1.00 0.00 C ATOM 0 H LEU A 65 2.184 -4.432 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 65 1.024 -4.747 -8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.286 -3.843 -6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.089 -4.109 -7.672 1.00 0.00 H new ATOM 0 HG LEU A 65 0.309 -6.307 -6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.939 -6.999 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.511 -5.386 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.629 -5.544 -6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.049 -7.784 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.705 -6.358 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.029 -6.743 -8.517 1.00 0.00 H new ATOM 972 N ASN A 66 1.251 -2.367 -9.317 1.00 0.00 N ATOM 973 CA ASN A 66 1.418 -0.973 -9.710 1.00 0.00 C ATOM 974 C ASN A 66 0.075 -0.342 -10.063 1.00 0.00 C ATOM 975 O ASN A 66 -0.792 -0.991 -10.649 1.00 0.00 O ATOM 976 CB ASN A 66 2.372 -0.869 -10.902 1.00 0.00 C ATOM 977 CG ASN A 66 3.818 -1.098 -10.507 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.205 -0.864 -9.362 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.625 -1.559 -11.456 1.00 0.00 N ATOM 0 H ASN A 66 1.154 -3.016 -10.098 1.00 0.00 H new ATOM 0 HA ASN A 66 1.842 -0.431 -8.864 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.085 -1.599 -11.658 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.274 0.117 -11.357 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.608 -1.733 -11.249 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.261 -1.739 -12.392 1.00 0.00 H new ATOM 986 N ILE A 67 -0.089 0.927 -9.703 1.00 0.00 N ATOM 987 CA ILE A 67 -1.326 1.646 -9.983 1.00 0.00 C ATOM 988 C ILE A 67 -1.091 2.776 -10.979 1.00 0.00 C ATOM 989 O ILE A 67 -0.554 3.832 -10.643 1.00 0.00 O ATOM 990 CB ILE A 67 -1.941 2.229 -8.697 1.00 0.00 C ATOM 991 CG1 ILE A 67 -1.840 1.219 -7.553 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.391 2.624 -8.936 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.740 0.016 -7.728 1.00 0.00 C ATOM 0 H ILE A 67 0.619 1.478 -9.217 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.021 0.925 -10.413 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.382 3.122 -8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.807 0.881 -7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.091 1.717 -6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.812 3.034 -8.018 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.438 3.375 -9.725 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.963 1.746 -9.237 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.616 -0.658 -6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.778 0.343 -7.783 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.475 -0.506 -8.648 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.502 2.552 -12.236 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.349 3.541 -13.307 1.00 0.00 C ATOM 1007 C PRO A 68 -2.264 4.747 -13.118 1.00 0.00 C ATOM 1008 O PRO A 68 -2.302 5.646 -13.956 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.742 2.764 -14.566 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.646 1.685 -14.079 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.149 1.317 -12.708 1.00 0.00 C ATOM 0 HA PRO A 68 -0.340 3.952 -13.341 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.246 3.407 -15.287 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.866 2.351 -15.066 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.679 2.029 -14.040 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.622 0.824 -14.747 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.966 1.016 -12.052 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.446 0.484 -12.745 1.00 0.00 H new ATOM 1019 N ASN A 69 -2.999 4.758 -12.011 1.00 0.00 N ATOM 1020 CA ASN A 69 -3.914 5.854 -11.712 1.00 0.00 C ATOM 1021 C ASN A 69 -3.748 6.324 -10.270 1.00 0.00 C ATOM 1022 O ASN A 69 -3.987 5.581 -9.317 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.361 5.418 -11.954 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.322 6.591 -11.972 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.011 7.654 -12.509 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.497 6.402 -11.384 1.00 0.00 N ATOM 0 H ASN A 69 -2.979 4.021 -11.306 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.675 6.685 -12.376 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.423 4.886 -12.903 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.662 4.717 -11.175 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.185 7.155 -11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.712 5.504 -10.951 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.328 7.587 -10.104 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.121 8.185 -8.782 1.00 0.00 C ATOM 1035 C PRO A 70 -4.433 8.419 -8.040 1.00 0.00 C ATOM 1036 O PRO A 70 -4.437 8.711 -6.844 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.440 9.519 -9.098 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.875 9.846 -10.485 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.024 8.528 -11.194 1.00 0.00 C ATOM 0 HA PRO A 70 -2.537 7.537 -8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.743 10.295 -8.395 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.355 9.435 -9.032 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.817 10.395 -10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.141 10.478 -10.985 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.824 8.558 -11.934 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.112 8.250 -11.722 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.544 8.289 -8.757 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.862 8.484 -8.165 1.00 0.00 C ATOM 1049 C ALA A 71 -7.364 7.203 -7.507 1.00 0.00 C ATOM 1050 O ALA A 71 -8.074 7.248 -6.503 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.849 8.959 -9.221 1.00 0.00 C ATOM 0 H ALA A 71 -5.558 8.050 -9.748 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.777 9.248 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.829 9.101 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.505 9.904 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.921 8.214 -10.013 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.990 6.064 -8.080 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.404 4.770 -7.549 1.00 0.00 C ATOM 1059 C GLN A 72 -6.688 4.467 -6.237 1.00 0.00 C ATOM 1060 O GLN A 72 -5.537 4.029 -6.231 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.122 3.663 -8.566 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.236 2.262 -7.987 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.751 1.193 -8.947 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.828 1.355 -10.165 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.248 0.092 -8.401 1.00 0.00 N ATOM 0 H GLN A 72 -6.401 6.010 -8.911 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.476 4.810 -7.356 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.818 3.761 -9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.119 3.800 -8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.658 2.206 -7.065 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.275 2.065 -7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.204 0.000 -7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.906 -0.662 -8.997 1.00 0.00 H new ATOM 1074 N THR A 73 -7.377 4.701 -5.124 1.00 0.00 N ATOM 1075 CA THR A 73 -6.807 4.454 -3.806 1.00 0.00 C ATOM 1076 C THR A 73 -7.253 3.103 -3.258 1.00 0.00 C ATOM 1077 O THR A 73 -7.390 2.928 -2.048 1.00 0.00 O ATOM 1078 CB THR A 73 -7.205 5.557 -2.806 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.629 5.594 -2.659 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.702 6.915 -3.271 1.00 0.00 C ATOM 0 H THR A 73 -8.331 5.061 -5.110 1.00 0.00 H new ATOM 0 HA THR A 73 -5.724 4.455 -3.925 1.00 0.00 H new ATOM 0 HB THR A 73 -6.747 5.328 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.874 6.296 -2.021 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.995 7.678 -2.550 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.615 6.892 -3.354 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.135 7.150 -4.243 1.00 0.00 H new ATOM 1088 N SER A 74 -7.476 2.150 -4.157 1.00 0.00 N ATOM 1089 CA SER A 74 -7.909 0.815 -3.764 1.00 0.00 C ATOM 1090 C SER A 74 -7.684 -0.185 -4.895 1.00 0.00 C ATOM 1091 O SER A 74 -7.892 0.129 -6.067 1.00 0.00 O ATOM 1092 CB SER A 74 -9.387 0.830 -3.369 1.00 0.00 C ATOM 1093 OG SER A 74 -9.689 1.960 -2.568 1.00 0.00 O ATOM 0 H SER A 74 -7.364 2.278 -5.163 1.00 0.00 H new ATOM 0 HA SER A 74 -7.314 0.506 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.006 0.840 -4.266 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.630 -0.082 -2.824 1.00 0.00 H new ATOM 0 HG SER A 74 -8.916 2.180 -2.008 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.257 -1.391 -4.534 1.00 0.00 N ATOM 1100 CA VAL A 75 -7.003 -2.437 -5.517 1.00 0.00 C ATOM 1101 C VAL A 75 -7.498 -3.791 -5.018 1.00 0.00 C ATOM 1102 O VAL A 75 -7.466 -4.072 -3.820 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.504 -2.543 -5.851 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.702 -2.889 -4.606 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.273 -3.572 -6.947 1.00 0.00 C ATOM 0 H VAL A 75 -7.080 -1.668 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.549 -2.162 -6.419 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.162 -1.574 -6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.645 -2.960 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.842 -2.111 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.043 -3.844 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.208 -3.633 -7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.630 -4.546 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.815 -3.275 -7.845 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.954 -4.627 -5.945 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.454 -5.952 -5.600 1.00 0.00 C ATOM 1117 C VAL A 76 -7.361 -7.006 -5.742 1.00 0.00 C ATOM 1118 O VAL A 76 -6.812 -7.204 -6.826 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.651 -6.348 -6.484 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -10.091 -7.772 -6.182 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.803 -5.373 -6.288 1.00 0.00 C ATOM 0 H VAL A 76 -7.987 -4.410 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.779 -5.907 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.340 -6.303 -7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.938 -8.033 -6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.266 -8.457 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.385 -7.848 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.641 -5.668 -6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.115 -5.384 -5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.479 -4.368 -6.560 1.00 0.00 H new ATOM 1131 N VAL A 77 -7.050 -7.680 -4.640 1.00 0.00 N ATOM 1132 CA VAL A 77 -6.024 -8.716 -4.641 1.00 0.00 C ATOM 1133 C VAL A 77 -6.647 -10.107 -4.641 1.00 0.00 C ATOM 1134 O VAL A 77 -7.478 -10.425 -3.792 1.00 0.00 O ATOM 1135 CB VAL A 77 -5.091 -8.583 -3.423 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -4.072 -9.713 -3.405 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.398 -7.229 -3.428 1.00 0.00 C ATOM 0 H VAL A 77 -7.494 -7.527 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.441 -8.583 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.693 -8.654 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.421 -9.602 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.591 -10.670 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.473 -9.677 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.743 -7.152 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.808 -7.126 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.146 -6.437 -3.389 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.238 -10.933 -5.600 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.757 -12.291 -5.710 1.00 0.00 C ATOM 1149 C GLU A 78 -5.620 -13.297 -5.869 1.00 0.00 C ATOM 1150 O GLU A 78 -4.445 -12.934 -5.820 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.717 -12.399 -6.896 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.952 -11.524 -6.762 1.00 0.00 C ATOM 1153 CD GLU A 78 -10.035 -11.885 -7.759 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -9.886 -11.539 -8.950 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -11.033 -12.515 -7.349 1.00 0.00 O ATOM 0 H GLU A 78 -5.550 -10.685 -6.311 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.297 -12.521 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.186 -12.126 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.028 -13.438 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.349 -11.616 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.670 -10.480 -6.900 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.980 -14.562 -6.058 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.991 -15.621 -6.224 1.00 0.00 C ATOM 1164 C ASP A 79 -4.131 -15.762 -4.972 1.00 0.00 C ATOM 1165 O ASP A 79 -2.902 -15.784 -5.050 1.00 0.00 O ATOM 1166 CB ASP A 79 -4.105 -15.335 -7.437 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.708 -15.852 -8.729 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -5.950 -15.826 -8.855 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -3.937 -16.282 -9.613 1.00 0.00 O ATOM 0 H ASP A 79 -6.949 -14.879 -6.100 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.522 -16.559 -6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.943 -14.260 -7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.128 -15.794 -7.286 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.784 -15.857 -3.819 1.00 0.00 N ATOM 1175 CA LEU A 80 -4.079 -15.995 -2.550 1.00 0.00 C ATOM 1176 C LEU A 80 -4.283 -17.388 -1.962 1.00 0.00 C ATOM 1177 O LEU A 80 -4.983 -18.220 -2.540 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.561 -14.935 -1.558 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.433 -13.481 -2.014 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.520 -12.625 -1.383 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.055 -12.934 -1.671 1.00 0.00 C ATOM 0 H LEU A 80 -5.801 -15.841 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.015 -15.852 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.608 -15.132 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.002 -15.054 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.556 -13.448 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.412 -11.594 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.499 -13.003 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.429 -12.664 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.982 -11.898 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.903 -12.981 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.292 -13.530 -2.172 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.670 -17.633 -0.810 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.787 -18.925 -0.141 1.00 0.00 C ATOM 1195 C LEU A 81 -4.692 -18.826 1.082 1.00 0.00 C ATOM 1196 O LEU A 81 -4.643 -17.860 1.844 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.405 -19.434 0.272 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.560 -20.060 -0.838 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.109 -20.182 -0.400 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -2.117 -21.420 -1.230 1.00 0.00 C ATOM 0 H LEU A 81 -3.087 -16.955 -0.319 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.233 -19.630 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.847 -18.602 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.534 -20.172 1.063 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.601 -19.408 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.477 -20.630 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.286 -19.192 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.049 -20.812 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.503 -21.850 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.107 -22.081 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.140 -21.305 -1.587 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.536 -19.849 1.278 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.467 -19.902 2.410 1.00 0.00 C ATOM 1214 C PRO A 82 -5.751 -20.110 3.740 1.00 0.00 C ATOM 1215 O PRO A 82 -4.711 -20.765 3.800 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.353 -21.107 2.085 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.512 -21.970 1.210 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.648 -21.034 0.411 1.00 0.00 C ATOM 0 HA PRO A 82 -7.019 -18.970 2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.652 -21.634 2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.268 -20.801 1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.903 -22.652 1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.131 -22.583 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.672 -21.470 0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.103 -20.788 -0.549 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.315 -19.549 4.805 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.729 -19.674 6.135 1.00 0.00 C ATOM 1228 C ASN A 83 -4.250 -19.300 6.115 1.00 0.00 C ATOM 1229 O ASN A 83 -3.407 -20.032 6.634 1.00 0.00 O ATOM 1230 CB ASN A 83 -5.899 -21.102 6.657 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.349 -21.448 6.934 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.693 -21.905 8.024 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.208 -21.231 5.945 1.00 0.00 N ATOM 0 H ASN A 83 -7.176 -19.004 4.773 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.250 -18.986 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.494 -21.803 5.927 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.318 -21.223 7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.197 -21.445 6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.879 -20.851 5.058 1.00 0.00 H new ATOM 1240 N HIS A 84 -3.942 -18.156 5.513 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.565 -17.683 5.427 1.00 0.00 C ATOM 1242 C HIS A 84 -2.502 -16.165 5.566 1.00 0.00 C ATOM 1243 O HIS A 84 -3.176 -15.437 4.838 1.00 0.00 O ATOM 1244 CB HIS A 84 -1.939 -18.112 4.100 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.418 -19.516 4.109 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.217 -20.617 3.884 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.169 -19.996 4.317 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.483 -21.713 3.955 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.236 -21.364 4.216 1.00 0.00 N ATOM 0 H HIS A 84 -4.628 -17.539 5.077 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.002 -18.128 6.247 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.682 -18.014 3.309 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.123 -17.432 3.856 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.219 -20.589 3.693 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.715 -19.412 4.524 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.842 -22.723 3.822 1.00 0.00 H new ATOM 1257 N SER A 85 -1.687 -15.695 6.505 1.00 0.00 N ATOM 1258 CA SER A 85 -1.539 -14.264 6.743 1.00 0.00 C ATOM 1259 C SER A 85 -0.726 -13.610 5.630 1.00 0.00 C ATOM 1260 O SER A 85 0.157 -14.235 5.042 1.00 0.00 O ATOM 1261 CB SER A 85 -0.867 -14.017 8.094 1.00 0.00 C ATOM 1262 OG SER A 85 -1.659 -14.516 9.157 1.00 0.00 O ATOM 0 H SER A 85 -1.119 -16.285 7.113 1.00 0.00 H new ATOM 0 HA SER A 85 -2.533 -13.817 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.112 -14.496 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.701 -12.948 8.231 1.00 0.00 H new ATOM 0 HG SER A 85 -1.206 -14.347 10.010 1.00 0.00 H new ATOM 1268 N TYR A 86 -1.031 -12.349 5.346 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.331 -11.610 4.302 1.00 0.00 C ATOM 1270 C TYR A 86 -0.073 -10.169 4.735 1.00 0.00 C ATOM 1271 O TYR A 86 -0.978 -9.476 5.199 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.141 -11.627 3.005 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.957 -12.889 2.192 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.108 -13.020 1.309 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.846 -13.949 2.309 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.280 -14.171 0.565 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.681 -15.105 1.569 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.617 -15.210 0.698 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.449 -16.359 -0.041 1.00 0.00 O ATOM 0 H TYR A 86 -1.758 -11.817 5.824 1.00 0.00 H new ATOM 0 HA TYR A 86 0.629 -12.096 4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.198 -11.510 3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.856 -10.768 2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.813 -12.209 1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.681 -13.869 2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.113 -14.257 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.381 -15.921 1.672 1.00 0.00 H new ATOM 0 HH TYR A 86 0.505 -16.500 -0.215 1.00 0.00 H new ATOM 1289 N VAL A 87 1.170 -9.725 4.578 1.00 0.00 N ATOM 1290 CA VAL A 87 1.549 -8.367 4.949 1.00 0.00 C ATOM 1291 C VAL A 87 1.437 -7.420 3.760 1.00 0.00 C ATOM 1292 O VAL A 87 2.298 -7.407 2.880 1.00 0.00 O ATOM 1293 CB VAL A 87 2.987 -8.317 5.498 1.00 0.00 C ATOM 1294 CG1 VAL A 87 3.924 -9.132 4.620 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.465 -6.877 5.608 1.00 0.00 C ATOM 0 H VAL A 87 1.932 -10.286 4.196 1.00 0.00 H new ATOM 0 HA VAL A 87 0.858 -8.047 5.729 1.00 0.00 H new ATOM 0 HB VAL A 87 2.991 -8.755 6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.935 -9.084 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.591 -10.170 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.919 -8.727 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.483 -6.860 5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.446 -6.411 4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.809 -6.326 6.283 1.00 0.00 H new ATOM 1305 N PHE A 88 0.371 -6.628 3.740 1.00 0.00 N ATOM 1306 CA PHE A 88 0.145 -5.677 2.658 1.00 0.00 C ATOM 1307 C PHE A 88 0.859 -4.357 2.936 1.00 0.00 C ATOM 1308 O PHE A 88 0.669 -3.746 3.987 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.353 -5.430 2.471 1.00 0.00 C ATOM 1310 CG PHE A 88 -2.062 -6.549 1.763 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.296 -7.754 2.405 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.493 -6.395 0.455 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.947 -8.785 1.755 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -3.145 -7.423 -0.200 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.373 -8.619 0.451 1.00 0.00 C ATOM 0 H PHE A 88 -0.351 -6.626 4.461 1.00 0.00 H new ATOM 0 HA PHE A 88 0.552 -6.104 1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.813 -5.280 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.493 -4.508 1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.966 -7.889 3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.318 -5.461 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.123 -9.720 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.476 -7.291 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.883 -9.423 -0.058 1.00 0.00 H new ATOM 1325 N ARG A 89 1.682 -3.924 1.986 1.00 0.00 N ATOM 1326 CA ARG A 89 2.426 -2.679 2.128 1.00 0.00 C ATOM 1327 C ARG A 89 2.084 -1.709 1.001 1.00 0.00 C ATOM 1328 O ARG A 89 2.609 -1.819 -0.107 1.00 0.00 O ATOM 1329 CB ARG A 89 3.930 -2.957 2.138 1.00 0.00 C ATOM 1330 CG ARG A 89 4.380 -3.834 3.295 1.00 0.00 C ATOM 1331 CD ARG A 89 5.896 -3.883 3.400 1.00 0.00 C ATOM 1332 NE ARG A 89 6.351 -4.984 4.244 1.00 0.00 N ATOM 1333 CZ ARG A 89 7.571 -5.506 4.177 1.00 0.00 C ATOM 1334 NH1 ARG A 89 8.453 -5.028 3.311 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.910 -6.507 4.979 1.00 0.00 N ATOM 0 H ARG A 89 1.850 -4.418 1.109 1.00 0.00 H new ATOM 0 HA ARG A 89 2.142 -2.222 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.208 -3.437 1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.466 -2.009 2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.962 -3.452 4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 89 3.991 -4.843 3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.325 -3.989 2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.262 -2.940 3.806 1.00 0.00 H new ATOM 0 HE ARG A 89 5.696 -5.374 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.196 -4.258 2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.389 -5.430 3.262 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.234 -6.876 5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.847 -6.907 4.927 1.00 0.00 H new ATOM 1349 N VAL A 90 1.200 -0.760 1.291 1.00 0.00 N ATOM 1350 CA VAL A 90 0.788 0.230 0.302 1.00 0.00 C ATOM 1351 C VAL A 90 1.664 1.475 0.374 1.00 0.00 C ATOM 1352 O VAL A 90 2.045 1.917 1.458 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.684 0.638 0.497 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -1.062 1.750 -0.470 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.598 -0.565 0.323 1.00 0.00 C ATOM 0 H VAL A 90 0.755 -0.655 2.203 1.00 0.00 H new ATOM 0 HA VAL A 90 0.902 -0.234 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.807 1.015 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.106 2.025 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.428 2.618 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.924 1.404 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.634 -0.258 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.474 -0.974 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.341 -1.326 1.060 1.00 0.00 H new ATOM 1365 N ARG A 91 1.978 2.039 -0.788 1.00 0.00 N ATOM 1366 CA ARG A 91 2.810 3.234 -0.857 1.00 0.00 C ATOM 1367 C ARG A 91 2.427 4.093 -2.059 1.00 0.00 C ATOM 1368 O ARG A 91 1.756 3.628 -2.979 1.00 0.00 O ATOM 1369 CB ARG A 91 4.288 2.849 -0.943 1.00 0.00 C ATOM 1370 CG ARG A 91 5.184 3.975 -1.432 1.00 0.00 C ATOM 1371 CD ARG A 91 6.618 3.505 -1.619 1.00 0.00 C ATOM 1372 NE ARG A 91 6.750 2.583 -2.744 1.00 0.00 N ATOM 1373 CZ ARG A 91 7.765 1.738 -2.887 1.00 0.00 C ATOM 1374 NH1 ARG A 91 8.731 1.698 -1.980 1.00 0.00 N ATOM 1375 NH2 ARG A 91 7.814 0.930 -3.938 1.00 0.00 N ATOM 0 H ARG A 91 1.669 1.687 -1.694 1.00 0.00 H new ATOM 0 HA ARG A 91 2.645 3.814 0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.628 2.527 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.394 1.995 -1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.801 4.362 -2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.160 4.797 -0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.264 4.368 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.961 3.016 -0.707 1.00 0.00 H new ATOM 0 HE ARG A 91 6.023 2.588 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.696 2.317 -1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.509 1.048 -2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.072 0.957 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.594 0.282 -4.047 1.00 0.00 H new ATOM 1389 N ALA A 92 2.859 5.350 -2.042 1.00 0.00 N ATOM 1390 CA ALA A 92 2.563 6.274 -3.130 1.00 0.00 C ATOM 1391 C ALA A 92 3.843 6.753 -3.807 1.00 0.00 C ATOM 1392 O ALA A 92 4.941 6.559 -3.286 1.00 0.00 O ATOM 1393 CB ALA A 92 1.763 7.460 -2.612 1.00 0.00 C ATOM 0 H ALA A 92 3.415 5.752 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 92 1.967 5.743 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.549 8.142 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.826 7.107 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.340 7.982 -1.849 1.00 0.00 H new ATOM 1399 N GLN A 93 3.693 7.377 -4.971 1.00 0.00 N ATOM 1400 CA GLN A 93 4.838 7.881 -5.719 1.00 0.00 C ATOM 1401 C GLN A 93 4.545 9.262 -6.298 1.00 0.00 C ATOM 1402 O GLN A 93 3.420 9.548 -6.706 1.00 0.00 O ATOM 1403 CB GLN A 93 5.206 6.912 -6.844 1.00 0.00 C ATOM 1404 CG GLN A 93 6.229 7.471 -7.819 1.00 0.00 C ATOM 1405 CD GLN A 93 6.187 6.781 -9.169 1.00 0.00 C ATOM 1406 OE1 GLN A 93 5.377 7.125 -10.030 1.00 0.00 O ATOM 1407 NE2 GLN A 93 7.063 5.802 -9.360 1.00 0.00 N ATOM 0 H GLN A 93 2.791 7.545 -5.416 1.00 0.00 H new ATOM 0 HA GLN A 93 5.680 7.966 -5.032 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.597 5.993 -6.407 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.302 6.645 -7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.051 8.538 -7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.227 7.366 -7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.716 5.550 -8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.083 5.302 -10.249 1.00 0.00 H new ATOM 1416 N SER A 94 5.565 10.114 -6.329 1.00 0.00 N ATOM 1417 CA SER A 94 5.416 11.466 -6.854 1.00 0.00 C ATOM 1418 C SER A 94 6.576 11.821 -7.779 1.00 0.00 C ATOM 1419 O SER A 94 7.469 11.007 -8.011 1.00 0.00 O ATOM 1420 CB SER A 94 5.336 12.475 -5.706 1.00 0.00 C ATOM 1421 OG SER A 94 6.615 12.707 -5.142 1.00 0.00 O ATOM 0 H SER A 94 6.503 9.892 -5.997 1.00 0.00 H new ATOM 0 HA SER A 94 4.491 11.506 -7.429 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.920 13.414 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.658 12.104 -4.938 1.00 0.00 H new ATOM 0 HG SER A 94 6.746 13.670 -5.013 1.00 0.00 H new ATOM 1427 N GLN A 95 6.554 13.042 -8.304 1.00 0.00 N ATOM 1428 CA GLN A 95 7.603 13.505 -9.204 1.00 0.00 C ATOM 1429 C GLN A 95 8.982 13.272 -8.598 1.00 0.00 C ATOM 1430 O GLN A 95 9.909 12.846 -9.286 1.00 0.00 O ATOM 1431 CB GLN A 95 7.415 14.990 -9.519 1.00 0.00 C ATOM 1432 CG GLN A 95 8.351 15.506 -10.600 1.00 0.00 C ATOM 1433 CD GLN A 95 8.055 14.910 -11.962 1.00 0.00 C ATOM 1434 OE1 GLN A 95 8.809 14.077 -12.465 1.00 0.00 O ATOM 1435 NE2 GLN A 95 6.952 15.335 -12.567 1.00 0.00 N ATOM 0 H GLN A 95 5.821 13.728 -8.121 1.00 0.00 H new ATOM 0 HA GLN A 95 7.532 12.933 -10.129 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.384 15.159 -9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.571 15.569 -8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.270 16.591 -10.657 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.380 15.277 -10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.356 16.027 -12.113 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.701 14.969 -13.486 1.00 0.00 H new ATOM 1444 N GLU A 96 9.111 13.555 -7.305 1.00 0.00 N ATOM 1445 CA GLU A 96 10.379 13.376 -6.607 1.00 0.00 C ATOM 1446 C GLU A 96 10.786 11.906 -6.585 1.00 0.00 C ATOM 1447 O GLU A 96 11.766 11.513 -7.216 1.00 0.00 O ATOM 1448 CB GLU A 96 10.278 13.910 -5.177 1.00 0.00 C ATOM 1449 CG GLU A 96 10.611 15.388 -5.054 1.00 0.00 C ATOM 1450 CD GLU A 96 12.102 15.644 -4.952 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.654 15.506 -3.841 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.717 15.983 -5.986 1.00 0.00 O ATOM 0 H GLU A 96 8.354 13.909 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 96 11.143 13.938 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.267 13.742 -4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.951 13.340 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.213 15.919 -5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.115 15.796 -4.173 1.00 0.00 H new ATOM 1459 N GLY A 97 10.025 11.098 -5.853 1.00 0.00 N ATOM 1460 CA GLY A 97 10.322 9.680 -5.762 1.00 0.00 C ATOM 1461 C GLY A 97 9.398 8.955 -4.803 1.00 0.00 C ATOM 1462 O GLY A 97 8.449 9.541 -4.283 1.00 0.00 O ATOM 0 H GLY A 97 9.208 11.400 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.239 9.230 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.354 9.548 -5.437 1.00 0.00 H new ATOM 1466 N TRP A 98 9.675 7.677 -4.571 1.00 0.00 N ATOM 1467 CA TRP A 98 8.859 6.870 -3.670 1.00 0.00 C ATOM 1468 C TRP A 98 9.086 7.279 -2.219 1.00 0.00 C ATOM 1469 O TRP A 98 10.210 7.241 -1.722 1.00 0.00 O ATOM 1470 CB TRP A 98 9.179 5.386 -3.851 1.00 0.00 C ATOM 1471 CG TRP A 98 8.733 4.839 -5.173 1.00 0.00 C ATOM 1472 CD1 TRP A 98 9.505 4.643 -6.283 1.00 0.00 C ATOM 1473 CD2 TRP A 98 7.409 4.419 -5.524 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.741 4.127 -7.302 1.00 0.00 N ATOM 1475 CE2 TRP A 98 7.453 3.979 -6.861 1.00 0.00 C ATOM 1476 CE3 TRP A 98 6.193 4.369 -4.838 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 6.326 3.499 -7.524 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 5.076 3.892 -5.496 1.00 0.00 C ATOM 1479 CH2 TRP A 98 5.148 3.462 -6.828 1.00 0.00 C ATOM 0 H TRP A 98 10.457 7.177 -4.994 1.00 0.00 H new ATOM 0 HA TRP A 98 7.811 7.041 -3.917 1.00 0.00 H new ATOM 0 HB2 TRP A 98 10.254 5.238 -3.749 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.702 4.819 -3.052 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.561 4.861 -6.350 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.079 3.892 -8.235 1.00 0.00 H new ATOM 0 HE3 TRP A 98 6.127 4.698 -3.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.380 3.168 -8.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.131 3.850 -4.975 1.00 0.00 H new ATOM 0 HH2 TRP A 98 4.257 3.094 -7.315 1.00 0.00 H new ATOM 1490 N GLY A 99 8.009 7.669 -1.543 1.00 0.00 N ATOM 1491 CA GLY A 99 8.113 8.078 -0.155 1.00 0.00 C ATOM 1492 C GLY A 99 7.986 6.912 0.805 1.00 0.00 C ATOM 1493 O GLY A 99 8.572 5.852 0.585 1.00 0.00 O ATOM 0 H GLY A 99 7.067 7.709 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.071 8.572 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.336 8.811 0.064 1.00 0.00 H new ATOM 1497 N ARG A 100 7.219 7.107 1.873 1.00 0.00 N ATOM 1498 CA ARG A 100 7.020 6.063 2.871 1.00 0.00 C ATOM 1499 C ARG A 100 5.871 5.142 2.472 1.00 0.00 C ATOM 1500 O ARG A 100 5.222 5.351 1.448 1.00 0.00 O ATOM 1501 CB ARG A 100 6.738 6.684 4.240 1.00 0.00 C ATOM 1502 CG ARG A 100 7.972 7.267 4.910 1.00 0.00 C ATOM 1503 CD ARG A 100 8.680 6.232 5.770 1.00 0.00 C ATOM 1504 NE ARG A 100 9.438 6.848 6.856 1.00 0.00 N ATOM 1505 CZ ARG A 100 9.754 6.218 7.982 1.00 0.00 C ATOM 1506 NH1 ARG A 100 9.380 4.960 8.168 1.00 0.00 N ATOM 1507 NH2 ARG A 100 10.446 6.846 8.923 1.00 0.00 N ATOM 0 H ARG A 100 6.726 7.978 2.069 1.00 0.00 H new ATOM 0 HA ARG A 100 7.934 5.472 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.991 7.470 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.305 5.925 4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.658 7.641 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.685 8.119 5.526 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.945 5.543 6.186 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.353 5.642 5.147 1.00 0.00 H new ATOM 0 HE ARG A 100 9.741 7.815 6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.849 4.474 7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.624 4.478 9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.736 7.814 8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.688 6.361 9.787 1.00 0.00 H new ATOM 1521 N GLU A 101 5.627 4.121 3.289 1.00 0.00 N ATOM 1522 CA GLU A 101 4.557 3.168 3.020 1.00 0.00 C ATOM 1523 C GLU A 101 3.876 2.733 4.315 1.00 0.00 C ATOM 1524 O GLU A 101 4.401 2.952 5.407 1.00 0.00 O ATOM 1525 CB GLU A 101 5.107 1.944 2.285 1.00 0.00 C ATOM 1526 CG GLU A 101 5.737 0.913 3.206 1.00 0.00 C ATOM 1527 CD GLU A 101 4.713 0.189 4.058 1.00 0.00 C ATOM 1528 OE1 GLU A 101 3.755 -0.373 3.487 1.00 0.00 O ATOM 1529 OE2 GLU A 101 4.870 0.184 5.297 1.00 0.00 O ATOM 0 H GLU A 101 6.155 3.933 4.141 1.00 0.00 H new ATOM 0 HA GLU A 101 3.818 3.661 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.299 1.473 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.850 2.271 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.287 0.186 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.461 1.405 3.855 1.00 0.00 H new ATOM 1536 N ARG A 102 2.706 2.118 4.184 1.00 0.00 N ATOM 1537 CA ARG A 102 1.952 1.655 5.343 1.00 0.00 C ATOM 1538 C ARG A 102 1.759 0.142 5.296 1.00 0.00 C ATOM 1539 O ARG A 102 1.471 -0.424 4.241 1.00 0.00 O ATOM 1540 CB ARG A 102 0.592 2.352 5.405 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.325 1.801 6.484 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.118 2.516 7.810 1.00 0.00 C ATOM 1543 NE ARG A 102 1.105 2.084 8.480 1.00 0.00 N ATOM 1544 CZ ARG A 102 1.347 2.285 9.771 1.00 0.00 C ATOM 1545 NH1 ARG A 102 0.453 2.908 10.527 1.00 0.00 N ATOM 1546 NH2 ARG A 102 2.484 1.863 10.308 1.00 0.00 N ATOM 0 H ARG A 102 2.259 1.929 3.287 1.00 0.00 H new ATOM 0 HA ARG A 102 2.521 1.904 6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.746 3.417 5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.099 2.256 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.363 1.908 6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.139 0.735 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.077 3.592 7.639 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.973 2.329 8.460 1.00 0.00 H new ATOM 0 HE ARG A 102 1.813 1.601 7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.423 3.234 10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.641 3.061 11.518 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.174 1.383 9.730 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.668 2.018 11.299 1.00 0.00 H new ATOM 1560 N GLU A 103 1.919 -0.506 6.445 1.00 0.00 N ATOM 1561 CA GLU A 103 1.763 -1.953 6.534 1.00 0.00 C ATOM 1562 C GLU A 103 0.334 -2.324 6.920 1.00 0.00 C ATOM 1563 O GLU A 103 -0.345 -1.576 7.623 1.00 0.00 O ATOM 1564 CB GLU A 103 2.745 -2.533 7.554 1.00 0.00 C ATOM 1565 CG GLU A 103 3.032 -4.011 7.350 1.00 0.00 C ATOM 1566 CD GLU A 103 3.777 -4.627 8.518 1.00 0.00 C ATOM 1567 OE1 GLU A 103 3.147 -4.846 9.574 1.00 0.00 O ATOM 1568 OE2 GLU A 103 4.990 -4.889 8.377 1.00 0.00 O ATOM 0 H GLU A 103 2.157 -0.052 7.327 1.00 0.00 H new ATOM 0 HA GLU A 103 1.977 -2.376 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.682 -1.979 7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.344 -2.384 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.092 -4.543 7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.618 -4.141 6.440 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.117 -3.485 6.455 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.462 -3.935 6.761 1.00 0.00 C ATOM 1577 C GLY A 104 -1.618 -5.436 6.621 1.00 0.00 C ATOM 1578 O GLY A 104 -1.983 -5.933 5.556 1.00 0.00 O ATOM 0 H GLY A 104 0.425 -4.122 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.718 -3.640 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.168 -3.436 6.097 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.338 -6.161 7.700 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.447 -7.615 7.693 1.00 0.00 C ATOM 1584 C VAL A 105 -2.907 -8.056 7.666 1.00 0.00 C ATOM 1585 O VAL A 105 -3.773 -7.405 8.251 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.758 -8.236 8.922 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -1.240 -7.566 10.200 1.00 0.00 C ATOM 1588 CG2 VAL A 105 -1.005 -9.736 8.970 1.00 0.00 C ATOM 0 H VAL A 105 -1.034 -5.765 8.590 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.947 -7.965 6.790 1.00 0.00 H new ATOM 0 HB VAL A 105 0.316 -8.071 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.742 -8.018 11.058 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.006 -6.502 10.164 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.318 -7.697 10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.511 -10.158 9.845 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.076 -9.927 9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.605 -10.200 8.068 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.171 -9.165 6.983 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.526 -9.694 6.882 1.00 0.00 C ATOM 1600 C ILE A 106 -4.536 -11.212 7.026 1.00 0.00 C ATOM 1601 O ILE A 106 -3.571 -11.888 6.665 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.180 -9.313 5.540 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.648 -9.741 5.524 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.424 -9.948 4.383 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.528 -8.917 6.438 1.00 0.00 C ATOM 0 H ILE A 106 -2.466 -9.714 6.492 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.099 -9.250 7.696 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.136 -8.230 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.028 -9.669 4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.716 -10.789 5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.898 -9.669 3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.392 -9.598 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.439 -11.033 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.555 -9.277 6.375 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.173 -9.009 7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.491 -7.871 6.133 1.00 0.00 H new ATOM 1617 N THR A 107 -5.633 -11.744 7.555 1.00 0.00 N ATOM 1618 CA THR A 107 -5.770 -13.182 7.747 1.00 0.00 C ATOM 1619 C THR A 107 -7.010 -13.716 7.038 1.00 0.00 C ATOM 1620 O THR A 107 -8.115 -13.210 7.237 1.00 0.00 O ATOM 1621 CB THR A 107 -5.850 -13.544 9.242 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.640 -13.162 9.904 1.00 0.00 O ATOM 1623 CG2 THR A 107 -6.086 -15.036 9.425 1.00 0.00 C ATOM 0 H THR A 107 -6.440 -11.200 7.858 1.00 0.00 H new ATOM 0 HA THR A 107 -4.882 -13.645 7.316 1.00 0.00 H new ATOM 0 HB THR A 107 -6.689 -13.003 9.680 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.700 -13.394 10.854 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.139 -15.268 10.489 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.023 -15.318 8.945 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.265 -15.592 8.973 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.819 -14.740 6.213 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.924 -15.342 5.477 1.00 0.00 C ATOM 1633 C ILE A 108 -8.706 -16.312 6.357 1.00 0.00 C ATOM 1634 O ILE A 108 -8.266 -17.435 6.602 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.425 -16.089 4.226 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.578 -15.160 3.355 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.602 -16.640 3.434 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.359 -14.010 2.760 1.00 0.00 C ATOM 0 H ILE A 108 -5.911 -15.170 6.038 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.579 -14.528 5.167 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.803 -16.925 4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.759 -14.761 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.130 -15.740 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.234 -17.165 2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.169 -17.331 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.248 -15.819 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.694 -13.393 2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.162 -14.400 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.785 -13.406 3.561 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.869 -15.871 6.826 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.713 -16.701 7.677 1.00 0.00 C ATOM 1652 C GLU A 109 -11.965 -17.151 6.929 1.00 0.00 C ATOM 1653 O GLU A 109 -12.918 -16.387 6.778 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.108 -15.937 8.942 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.010 -15.887 9.991 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.413 -15.097 11.221 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -10.604 -13.869 11.100 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -10.537 -15.706 12.304 1.00 0.00 O ATOM 0 H GLU A 109 -10.248 -14.944 6.631 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.142 -17.586 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.385 -14.919 8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.993 -16.403 9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.748 -16.903 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.116 -15.442 9.555 1.00 0.00 H new ATOM 1665 N SER A 110 -11.954 -18.396 6.464 1.00 0.00 N ATOM 1666 CA SER A 110 -13.086 -18.947 5.728 1.00 0.00 C ATOM 1667 C SER A 110 -14.092 -19.588 6.679 1.00 0.00 C ATOM 1668 O SER A 110 -13.714 -20.234 7.656 1.00 0.00 O ATOM 1669 CB SER A 110 -12.603 -19.979 4.707 1.00 0.00 C ATOM 1670 OG SER A 110 -12.322 -21.220 5.330 1.00 0.00 O ATOM 0 H SER A 110 -11.174 -19.042 6.584 1.00 0.00 H new ATOM 0 HA SER A 110 -13.579 -18.129 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.363 -20.118 3.939 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.708 -19.609 4.207 1.00 0.00 H new ATOM 0 HG SER A 110 -12.017 -21.863 4.656 1.00 0.00 H new ATOM 1676 N GLN A 111 -15.375 -19.403 6.385 1.00 0.00 N ATOM 1677 CA GLN A 111 -16.436 -19.962 7.215 1.00 0.00 C ATOM 1678 C GLN A 111 -17.692 -20.221 6.389 1.00 0.00 C ATOM 1679 O GLN A 111 -18.194 -19.328 5.706 1.00 0.00 O ATOM 1680 CB GLN A 111 -16.759 -19.016 8.373 1.00 0.00 C ATOM 1681 CG GLN A 111 -17.863 -19.526 9.285 1.00 0.00 C ATOM 1682 CD GLN A 111 -18.191 -18.557 10.403 1.00 0.00 C ATOM 1683 OE1 GLN A 111 -19.230 -17.897 10.384 1.00 0.00 O ATOM 1684 NE2 GLN A 111 -17.303 -18.464 11.387 1.00 0.00 N ATOM 0 H GLN A 111 -15.705 -18.871 5.580 1.00 0.00 H new ATOM 0 HA GLN A 111 -16.085 -20.912 7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -15.857 -18.856 8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -17.052 -18.047 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -18.760 -19.711 8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -17.562 -20.482 9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -16.455 -19.030 11.363 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -17.470 -17.827 12.166 1.00 0.00 H new ATOM 1693 N VAL A 112 -18.196 -21.450 6.457 1.00 0.00 N ATOM 1694 CA VAL A 112 -19.394 -21.827 5.717 1.00 0.00 C ATOM 1695 C VAL A 112 -20.513 -22.251 6.661 1.00 0.00 C ATOM 1696 O VAL A 112 -21.662 -21.841 6.502 1.00 0.00 O ATOM 1697 CB VAL A 112 -19.106 -22.974 4.731 1.00 0.00 C ATOM 1698 CG1 VAL A 112 -20.376 -23.381 4.000 1.00 0.00 C ATOM 1699 CG2 VAL A 112 -18.020 -22.570 3.745 1.00 0.00 C ATOM 0 H VAL A 112 -17.793 -22.201 7.017 1.00 0.00 H new ATOM 0 HA VAL A 112 -19.710 -20.947 5.157 1.00 0.00 H new ATOM 0 HB VAL A 112 -18.749 -23.835 5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -20.153 -24.193 3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -21.121 -23.715 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -20.766 -22.528 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -17.830 -23.393 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -18.346 -21.694 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -17.105 -22.333 4.288 1.00 0.00 H new ATOM 1709 N SER A 113 -20.168 -23.075 7.646 1.00 0.00 N ATOM 1710 CA SER A 113 -21.144 -23.558 8.615 1.00 0.00 C ATOM 1711 C SER A 113 -20.497 -23.765 9.981 1.00 0.00 C ATOM 1712 O SER A 113 -19.428 -24.366 10.089 1.00 0.00 O ATOM 1713 CB SER A 113 -21.770 -24.868 8.131 1.00 0.00 C ATOM 1714 OG SER A 113 -22.890 -24.621 7.299 1.00 0.00 O ATOM 0 H SER A 113 -19.220 -23.422 7.793 1.00 0.00 H new ATOM 0 HA SER A 113 -21.925 -22.804 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 113 -21.028 -25.449 7.584 1.00 0.00 H new ATOM 0 HB3 SER A 113 -22.075 -25.468 8.989 1.00 0.00 H new ATOM 0 HG SER A 113 -22.793 -23.745 6.871 1.00 0.00 H new ATOM 1720 N GLY A 114 -21.153 -23.263 11.022 1.00 0.00 N ATOM 1721 CA GLY A 114 -20.627 -23.402 12.368 1.00 0.00 C ATOM 1722 C GLY A 114 -21.573 -22.857 13.419 1.00 0.00 C ATOM 1723 O GLY A 114 -22.323 -21.910 13.179 1.00 0.00 O ATOM 0 H GLY A 114 -22.039 -22.762 10.958 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -20.431 -24.455 12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -19.672 -22.881 12.437 1.00 0.00 H new ATOM 1727 N PRO A 115 -21.547 -23.462 14.616 1.00 0.00 N ATOM 1728 CA PRO A 115 -22.404 -23.049 15.731 1.00 0.00 C ATOM 1729 C PRO A 115 -22.001 -21.692 16.299 1.00 0.00 C ATOM 1730 O PRO A 115 -20.837 -21.300 16.229 1.00 0.00 O ATOM 1731 CB PRO A 115 -22.187 -24.150 16.772 1.00 0.00 C ATOM 1732 CG PRO A 115 -20.838 -24.703 16.464 1.00 0.00 C ATOM 1733 CD PRO A 115 -20.679 -24.597 14.972 1.00 0.00 C ATOM 0 HA PRO A 115 -23.444 -22.932 15.425 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -22.229 -23.750 17.785 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -22.956 -24.919 16.701 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -20.059 -24.142 16.980 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -20.756 -25.739 16.793 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -19.642 -24.414 14.690 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -20.989 -25.513 14.469 1.00 0.00 H new ATOM 1741 N SER A 116 -22.972 -20.980 16.863 1.00 0.00 N ATOM 1742 CA SER A 116 -22.719 -19.665 17.441 1.00 0.00 C ATOM 1743 C SER A 116 -23.745 -19.340 18.521 1.00 0.00 C ATOM 1744 O SER A 116 -24.935 -19.196 18.239 1.00 0.00 O ATOM 1745 CB SER A 116 -22.750 -18.592 16.351 1.00 0.00 C ATOM 1746 OG SER A 116 -22.482 -17.309 16.891 1.00 0.00 O ATOM 0 H SER A 116 -23.941 -21.292 16.932 1.00 0.00 H new ATOM 0 HA SER A 116 -21.730 -19.680 17.898 1.00 0.00 H new ATOM 0 HB2 SER A 116 -22.013 -18.828 15.583 1.00 0.00 H new ATOM 0 HB3 SER A 116 -23.726 -18.589 15.866 1.00 0.00 H new ATOM 0 HG SER A 116 -22.506 -16.641 16.174 1.00 0.00 H new ATOM 1752 N SER A 117 -23.276 -19.226 19.760 1.00 0.00 N ATOM 1753 CA SER A 117 -24.153 -18.921 20.884 1.00 0.00 C ATOM 1754 C SER A 117 -24.652 -17.482 20.810 1.00 0.00 C ATOM 1755 O SER A 117 -23.968 -16.602 20.288 1.00 0.00 O ATOM 1756 CB SER A 117 -23.418 -19.150 22.207 1.00 0.00 C ATOM 1757 OG SER A 117 -24.158 -18.629 23.298 1.00 0.00 O ATOM 0 H SER A 117 -22.294 -19.340 20.010 1.00 0.00 H new ATOM 0 HA SER A 117 -25.014 -19.588 20.833 1.00 0.00 H new ATOM 0 HB2 SER A 117 -23.250 -20.217 22.354 1.00 0.00 H new ATOM 0 HB3 SER A 117 -22.437 -18.676 22.169 1.00 0.00 H new ATOM 0 HG SER A 117 -23.668 -18.789 24.132 1.00 0.00 H new ATOM 1763 N GLY A 118 -25.851 -17.249 21.336 1.00 0.00 N ATOM 1764 CA GLY A 118 -26.423 -15.916 21.319 1.00 0.00 C ATOM 1765 C GLY A 118 -26.431 -15.271 22.691 1.00 0.00 C ATOM 1766 O GLY A 118 -26.637 -14.064 22.815 1.00 0.00 O ATOM 0 H GLY A 118 -26.436 -17.961 21.774 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -25.857 -15.290 20.630 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -27.443 -15.967 20.939 1.00 0.00 H new TER 1770 GLY A 118