USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 SER OG : rot 103:sc= 1.01 USER MOD Set 1.2: A 45 HIS : no HD1:sc= -7.49! C(o=-6.5!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.312 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 0.23 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0854 X(o=-0.085,f=-0.025) USER MOD Single : A 29 ASN : amide:sc= -0.343 K(o=-0.34,f=-13!) USER MOD Single : A 35 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 157:sc= -3.85! (180deg=-4.97!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 46 CYS SG : rot 127:sc= -7.55! USER MOD Single : A 47 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= 0.54 (180deg=0.444) USER MOD Single : A 52 ASN : amide:sc= -5.91! C(o=-5.9!,f=-8.1!) USER MOD Single : A 53 THR OG1 : rot 47:sc= 0.418 USER MOD Single : A 54 SER OG : rot 180:sc= -0.179 USER MOD Single : A 55 ASN : amide:sc= -5.52! C(o=-5.5!,f=-3.6!) USER MOD Single : A 62 MET CE :methyl -138:sc= -7.8! (180deg=-10.6!) USER MOD Single : A 63 ASN : amide:sc= -0.218 K(o=-0.22,f=-0.94) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -7.35! C(o=-7.4!,f=-9.4!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.202 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 5:sc= 0.387! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 43.151 4.322 6.639 1.00 0.00 N ATOM 2 CA GLY A 1 43.778 3.327 7.492 1.00 0.00 C ATOM 3 C GLY A 1 44.296 2.146 6.668 1.00 0.00 C ATOM 4 O GLY A 1 45.061 2.333 5.723 1.00 0.00 O ATOM 0 H1 GLY A 1 42.808 5.112 7.222 1.00 0.00 H new ATOM 0 H2 GLY A 1 43.845 4.675 5.950 1.00 0.00 H new ATOM 0 H3 GLY A 1 42.350 3.891 6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 1 44.603 3.781 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 1 43.060 2.972 8.231 1.00 0.00 H new ATOM 8 N SER A 2 43.859 0.957 7.057 1.00 0.00 N ATOM 9 CA SER A 2 44.270 -0.253 6.366 1.00 0.00 C ATOM 10 C SER A 2 43.384 -1.425 6.794 1.00 0.00 C ATOM 11 O SER A 2 43.664 -2.087 7.792 1.00 0.00 O ATOM 12 CB SER A 2 45.741 -0.572 6.639 1.00 0.00 C ATOM 13 OG SER A 2 46.583 -0.172 5.561 1.00 0.00 O ATOM 0 H SER A 2 43.225 0.806 7.841 1.00 0.00 H new ATOM 0 HA SER A 2 44.156 -0.091 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 2 46.058 -0.069 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 2 45.854 -1.643 6.809 1.00 0.00 H new ATOM 0 HG SER A 2 46.364 0.746 5.298 1.00 0.00 H new ATOM 19 N SER A 3 42.334 -1.647 6.016 1.00 0.00 N ATOM 20 CA SER A 3 41.406 -2.727 6.302 1.00 0.00 C ATOM 21 C SER A 3 40.616 -3.086 5.042 1.00 0.00 C ATOM 22 O SER A 3 39.616 -2.443 4.728 1.00 0.00 O ATOM 23 CB SER A 3 40.452 -2.349 7.437 1.00 0.00 C ATOM 24 OG SER A 3 40.690 -3.117 8.613 1.00 0.00 O ATOM 0 H SER A 3 42.106 -1.097 5.188 1.00 0.00 H new ATOM 0 HA SER A 3 41.981 -3.596 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 3 40.564 -1.290 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 3 39.423 -2.497 7.110 1.00 0.00 H new ATOM 0 HG SER A 3 40.062 -2.845 9.314 1.00 0.00 H new ATOM 30 N GLY A 4 41.095 -4.112 4.354 1.00 0.00 N ATOM 31 CA GLY A 4 40.446 -4.563 3.135 1.00 0.00 C ATOM 32 C GLY A 4 39.966 -6.009 3.273 1.00 0.00 C ATOM 33 O GLY A 4 39.168 -6.321 4.155 1.00 0.00 O ATOM 0 H GLY A 4 41.925 -4.644 4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 4 39.599 -3.915 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 4 41.140 -4.485 2.298 1.00 0.00 H new ATOM 37 N SER A 5 40.473 -6.855 2.387 1.00 0.00 N ATOM 38 CA SER A 5 40.105 -8.260 2.398 1.00 0.00 C ATOM 39 C SER A 5 40.912 -9.021 1.344 1.00 0.00 C ATOM 40 O SER A 5 40.921 -8.645 0.173 1.00 0.00 O ATOM 41 CB SER A 5 38.606 -8.440 2.151 1.00 0.00 C ATOM 42 OG SER A 5 38.199 -7.873 0.908 1.00 0.00 O ATOM 0 H SER A 5 41.136 -6.594 1.657 1.00 0.00 H new ATOM 0 HA SER A 5 40.334 -8.665 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 5 38.361 -9.502 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 5 38.046 -7.975 2.962 1.00 0.00 H new ATOM 0 HG SER A 5 38.955 -7.874 0.285 1.00 0.00 H new ATOM 48 N SER A 6 41.571 -10.077 1.798 1.00 0.00 N ATOM 49 CA SER A 6 42.379 -10.894 0.909 1.00 0.00 C ATOM 50 C SER A 6 42.477 -12.321 1.452 1.00 0.00 C ATOM 51 O SER A 6 43.373 -12.630 2.236 1.00 0.00 O ATOM 52 CB SER A 6 43.777 -10.297 0.730 1.00 0.00 C ATOM 53 OG SER A 6 44.442 -10.827 -0.413 1.00 0.00 O ATOM 0 H SER A 6 41.562 -10.386 2.770 1.00 0.00 H new ATOM 0 HA SER A 6 41.895 -10.917 -0.067 1.00 0.00 H new ATOM 0 HB2 SER A 6 43.699 -9.214 0.634 1.00 0.00 H new ATOM 0 HB3 SER A 6 44.373 -10.496 1.621 1.00 0.00 H new ATOM 0 HG SER A 6 45.330 -10.420 -0.493 1.00 0.00 H new ATOM 59 N GLY A 7 41.542 -13.152 1.015 1.00 0.00 N ATOM 60 CA GLY A 7 41.511 -14.538 1.449 1.00 0.00 C ATOM 61 C GLY A 7 40.076 -15.002 1.702 1.00 0.00 C ATOM 62 O GLY A 7 39.242 -14.226 2.166 1.00 0.00 O ATOM 0 H GLY A 7 40.800 -12.892 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 41.973 -15.170 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 7 42.099 -14.651 2.360 1.00 0.00 H new ATOM 66 N GLY A 8 39.831 -16.265 1.385 1.00 0.00 N ATOM 67 CA GLY A 8 38.511 -16.842 1.572 1.00 0.00 C ATOM 68 C GLY A 8 37.521 -16.290 0.544 1.00 0.00 C ATOM 69 O GLY A 8 37.690 -15.176 0.049 1.00 0.00 O ATOM 0 H GLY A 8 40.525 -16.905 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.568 -17.927 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.154 -16.625 2.579 1.00 0.00 H new ATOM 73 N GLU A 9 36.509 -17.094 0.253 1.00 0.00 N ATOM 74 CA GLU A 9 35.492 -16.700 -0.707 1.00 0.00 C ATOM 75 C GLU A 9 34.174 -16.398 0.009 1.00 0.00 C ATOM 76 O GLU A 9 33.591 -17.277 0.641 1.00 0.00 O ATOM 77 CB GLU A 9 35.300 -17.778 -1.776 1.00 0.00 C ATOM 78 CG GLU A 9 33.938 -17.636 -2.459 1.00 0.00 C ATOM 79 CD GLU A 9 34.013 -18.065 -3.926 1.00 0.00 C ATOM 80 OE1 GLU A 9 34.048 -19.293 -4.157 1.00 0.00 O ATOM 81 OE2 GLU A 9 34.034 -17.156 -4.783 1.00 0.00 O ATOM 0 H GLU A 9 36.372 -18.017 0.665 1.00 0.00 H new ATOM 0 HA GLU A 9 35.827 -15.792 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 9 36.093 -17.703 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 9 35.382 -18.765 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 9 33.200 -18.244 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 9 33.602 -16.601 -2.396 1.00 0.00 H new ATOM 88 N GLU A 10 33.744 -15.151 -0.113 1.00 0.00 N ATOM 89 CA GLU A 10 32.506 -14.721 0.515 1.00 0.00 C ATOM 90 C GLU A 10 31.902 -13.544 -0.252 1.00 0.00 C ATOM 91 O GLU A 10 32.346 -12.407 -0.101 1.00 0.00 O ATOM 92 CB GLU A 10 32.733 -14.360 1.984 1.00 0.00 C ATOM 93 CG GLU A 10 31.620 -14.928 2.867 1.00 0.00 C ATOM 94 CD GLU A 10 30.863 -13.807 3.583 1.00 0.00 C ATOM 95 OE1 GLU A 10 30.522 -12.822 2.894 1.00 0.00 O ATOM 96 OE2 GLU A 10 30.643 -13.962 4.804 1.00 0.00 O ATOM 0 H GLU A 10 34.231 -14.424 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 10 31.799 -15.550 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 10 33.697 -14.749 2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 10 32.772 -13.276 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 10 30.927 -15.508 2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 10 32.046 -15.611 3.602 1.00 0.00 H new ATOM 103 N LEU A 11 30.898 -13.856 -1.059 1.00 0.00 N ATOM 104 CA LEU A 11 30.229 -12.838 -1.850 1.00 0.00 C ATOM 105 C LEU A 11 29.068 -13.475 -2.617 1.00 0.00 C ATOM 106 O LEU A 11 29.194 -13.780 -3.801 1.00 0.00 O ATOM 107 CB LEU A 11 31.233 -12.111 -2.748 1.00 0.00 C ATOM 108 CG LEU A 11 31.151 -10.583 -2.745 1.00 0.00 C ATOM 109 CD1 LEU A 11 32.483 -9.964 -2.317 1.00 0.00 C ATOM 110 CD2 LEU A 11 30.684 -10.057 -4.103 1.00 0.00 C ATOM 0 H LEU A 11 30.532 -14.800 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 11 29.802 -12.072 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 11 32.239 -12.402 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.095 -12.461 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 11 30.405 -10.282 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 11 32.398 -8.877 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 11 32.735 -10.302 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 11 33.266 -10.271 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 11 30.634 -8.969 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 11 31.388 -10.368 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.697 -10.459 -4.329 1.00 0.00 H new ATOM 122 N LEU A 12 27.963 -13.656 -1.909 1.00 0.00 N ATOM 123 CA LEU A 12 26.780 -14.251 -2.507 1.00 0.00 C ATOM 124 C LEU A 12 25.630 -14.215 -1.499 1.00 0.00 C ATOM 125 O LEU A 12 25.584 -15.026 -0.575 1.00 0.00 O ATOM 126 CB LEU A 12 27.093 -15.654 -3.033 1.00 0.00 C ATOM 127 CG LEU A 12 27.107 -15.812 -4.554 1.00 0.00 C ATOM 128 CD1 LEU A 12 27.598 -17.205 -4.956 1.00 0.00 C ATOM 129 CD2 LEU A 12 25.736 -15.493 -5.152 1.00 0.00 C ATOM 0 H LEU A 12 27.862 -13.401 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 12 26.461 -13.674 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 12 28.067 -15.956 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.358 -16.347 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 12 27.813 -15.090 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 12 27.598 -17.291 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 12 28.610 -17.357 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.936 -17.960 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.774 -15.613 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.991 -16.172 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.464 -14.465 -4.911 1.00 0.00 H new ATOM 141 N PRO A 13 24.706 -13.241 -1.716 1.00 0.00 N ATOM 142 CA PRO A 13 23.559 -13.088 -0.837 1.00 0.00 C ATOM 143 C PRO A 13 22.520 -14.181 -1.097 1.00 0.00 C ATOM 144 O PRO A 13 22.169 -14.448 -2.245 1.00 0.00 O ATOM 145 CB PRO A 13 23.033 -11.690 -1.115 1.00 0.00 C ATOM 146 CG PRO A 13 23.613 -11.287 -2.461 1.00 0.00 C ATOM 147 CD PRO A 13 24.728 -12.263 -2.799 1.00 0.00 C ATOM 0 HA PRO A 13 23.818 -13.199 0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 13 21.943 -11.681 -1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 13 23.340 -10.995 -0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 13 22.841 -11.307 -3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 13 23.997 -10.268 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.559 -12.738 -3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.692 -11.758 -2.857 1.00 0.00 H new ATOM 155 N ASP A 14 22.056 -14.782 -0.011 1.00 0.00 N ATOM 156 CA ASP A 14 21.063 -15.839 -0.107 1.00 0.00 C ATOM 157 C ASP A 14 20.825 -16.437 1.281 1.00 0.00 C ATOM 158 O ASP A 14 21.652 -17.195 1.784 1.00 0.00 O ATOM 159 CB ASP A 14 21.542 -16.962 -1.030 1.00 0.00 C ATOM 160 CG ASP A 14 20.655 -18.208 -1.047 1.00 0.00 C ATOM 161 OD1 ASP A 14 19.425 -18.027 -1.178 1.00 0.00 O ATOM 162 OD2 ASP A 14 21.226 -19.313 -0.928 1.00 0.00 O ATOM 0 H ASP A 14 22.349 -14.557 0.940 1.00 0.00 H new ATOM 0 HA ASP A 14 20.147 -15.406 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.614 -16.572 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.548 -17.255 -0.729 1.00 0.00 H new ATOM 167 N GLY A 15 19.690 -16.073 1.860 1.00 0.00 N ATOM 168 CA GLY A 15 19.333 -16.564 3.180 1.00 0.00 C ATOM 169 C GLY A 15 17.815 -16.557 3.375 1.00 0.00 C ATOM 170 O GLY A 15 17.281 -15.709 4.088 1.00 0.00 O ATOM 0 H GLY A 15 19.006 -15.444 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 15 19.716 -17.576 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 15 19.804 -15.944 3.942 1.00 0.00 H new ATOM 174 N VAL A 16 17.163 -17.513 2.728 1.00 0.00 N ATOM 175 CA VAL A 16 15.718 -17.627 2.822 1.00 0.00 C ATOM 176 C VAL A 16 15.319 -19.100 2.705 1.00 0.00 C ATOM 177 O VAL A 16 16.052 -19.901 2.128 1.00 0.00 O ATOM 178 CB VAL A 16 15.053 -16.742 1.765 1.00 0.00 C ATOM 179 CG1 VAL A 16 15.292 -15.261 2.063 1.00 0.00 C ATOM 180 CG2 VAL A 16 15.540 -17.105 0.361 1.00 0.00 C ATOM 0 H VAL A 16 17.609 -18.215 2.137 1.00 0.00 H new ATOM 0 HA VAL A 16 15.369 -17.271 3.791 1.00 0.00 H new ATOM 0 HB VAL A 16 13.979 -16.923 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 16 14.809 -14.653 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.874 -15.014 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.363 -15.059 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 16 15.052 -16.461 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.620 -16.967 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.296 -18.146 0.149 1.00 0.00 H new ATOM 190 N PRO A 17 14.128 -19.420 3.277 1.00 0.00 N ATOM 191 CA PRO A 17 13.622 -20.782 3.242 1.00 0.00 C ATOM 192 C PRO A 17 13.089 -21.134 1.852 1.00 0.00 C ATOM 193 O PRO A 17 11.919 -21.481 1.702 1.00 0.00 O ATOM 194 CB PRO A 17 12.551 -20.831 4.320 1.00 0.00 C ATOM 195 CG PRO A 17 12.172 -19.386 4.598 1.00 0.00 C ATOM 196 CD PRO A 17 13.233 -18.497 3.969 1.00 0.00 C ATOM 0 HA PRO A 17 14.397 -21.524 3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.686 -21.404 3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.926 -21.317 5.221 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.190 -19.162 4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.111 -19.207 5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.790 -17.781 3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.766 -17.921 4.725 1.00 0.00 H new ATOM 204 N GLU A 18 13.973 -21.031 0.871 1.00 0.00 N ATOM 205 CA GLU A 18 13.605 -21.334 -0.502 1.00 0.00 C ATOM 206 C GLU A 18 12.220 -20.766 -0.818 1.00 0.00 C ATOM 207 O GLU A 18 11.734 -19.880 -0.117 1.00 0.00 O ATOM 208 CB GLU A 18 13.653 -22.841 -0.762 1.00 0.00 C ATOM 209 CG GLU A 18 14.082 -23.135 -2.201 1.00 0.00 C ATOM 210 CD GLU A 18 15.479 -23.760 -2.239 1.00 0.00 C ATOM 211 OE1 GLU A 18 16.448 -22.994 -2.048 1.00 0.00 O ATOM 212 OE2 GLU A 18 15.546 -24.988 -2.459 1.00 0.00 O ATOM 0 H GLU A 18 14.943 -20.742 0.999 1.00 0.00 H new ATOM 0 HA GLU A 18 14.329 -20.861 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.349 -23.312 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.672 -23.278 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.365 -23.810 -2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.076 -22.213 -2.782 1.00 0.00 H new ATOM 219 N GLU A 19 11.625 -21.299 -1.875 1.00 0.00 N ATOM 220 CA GLU A 19 10.305 -20.857 -2.293 1.00 0.00 C ATOM 221 C GLU A 19 9.342 -22.043 -2.353 1.00 0.00 C ATOM 222 O GLU A 19 8.726 -22.296 -3.388 1.00 0.00 O ATOM 223 CB GLU A 19 10.370 -20.134 -3.640 1.00 0.00 C ATOM 224 CG GLU A 19 8.990 -19.621 -4.054 1.00 0.00 C ATOM 225 CD GLU A 19 9.012 -18.107 -4.275 1.00 0.00 C ATOM 226 OE1 GLU A 19 9.131 -17.387 -3.261 1.00 0.00 O ATOM 227 OE2 GLU A 19 8.909 -17.704 -5.454 1.00 0.00 O ATOM 0 H GLU A 19 12.032 -22.033 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 19 9.930 -20.148 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.068 -19.299 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.754 -20.812 -4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.671 -20.121 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.260 -19.869 -3.284 1.00 0.00 H new ATOM 234 N VAL A 20 9.241 -22.741 -1.231 1.00 0.00 N ATOM 235 CA VAL A 20 8.363 -23.895 -1.143 1.00 0.00 C ATOM 236 C VAL A 20 7.514 -23.789 0.126 1.00 0.00 C ATOM 237 O VAL A 20 7.204 -24.799 0.756 1.00 0.00 O ATOM 238 CB VAL A 20 9.185 -25.184 -1.207 1.00 0.00 C ATOM 239 CG1 VAL A 20 8.298 -26.411 -0.982 1.00 0.00 C ATOM 240 CG2 VAL A 20 9.939 -25.288 -2.534 1.00 0.00 C ATOM 0 H VAL A 20 9.753 -22.529 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 20 7.678 -23.920 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 20 9.922 -25.152 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.906 -27.314 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.827 -26.345 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.528 -26.449 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.515 -26.213 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.226 -25.287 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.614 -24.438 -2.637 1.00 0.00 H new ATOM 250 N MET A 21 7.162 -22.557 0.463 1.00 0.00 N ATOM 251 CA MET A 21 6.356 -22.306 1.645 1.00 0.00 C ATOM 252 C MET A 21 5.496 -21.053 1.467 1.00 0.00 C ATOM 253 O MET A 21 5.638 -20.334 0.479 1.00 0.00 O ATOM 254 CB MET A 21 7.270 -22.130 2.859 1.00 0.00 C ATOM 255 CG MET A 21 7.376 -23.430 3.660 1.00 0.00 C ATOM 256 SD MET A 21 7.972 -23.087 5.306 1.00 0.00 S ATOM 257 CE MET A 21 8.295 -24.748 5.872 1.00 0.00 C ATOM 0 H MET A 21 7.420 -21.722 -0.062 1.00 0.00 H new ATOM 0 HA MET A 21 5.695 -23.159 1.798 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.262 -21.820 2.530 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.883 -21.336 3.498 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.401 -23.915 3.711 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.051 -24.122 3.157 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.677 -24.717 6.893 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.372 -25.327 5.847 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.034 -25.216 5.222 1.00 0.00 H new ATOM 267 N GLU A 22 4.625 -20.829 2.439 1.00 0.00 N ATOM 268 CA GLU A 22 3.742 -19.675 2.402 1.00 0.00 C ATOM 269 C GLU A 22 4.541 -18.406 2.094 1.00 0.00 C ATOM 270 O GLU A 22 5.764 -18.452 1.976 1.00 0.00 O ATOM 271 CB GLU A 22 2.971 -19.532 3.716 1.00 0.00 C ATOM 272 CG GLU A 22 2.104 -20.764 3.979 1.00 0.00 C ATOM 273 CD GLU A 22 0.673 -20.545 3.481 1.00 0.00 C ATOM 274 OE1 GLU A 22 0.515 -20.419 2.248 1.00 0.00 O ATOM 275 OE2 GLU A 22 -0.229 -20.508 4.345 1.00 0.00 O ATOM 0 H GLU A 22 4.511 -21.427 3.258 1.00 0.00 H new ATOM 0 HA GLU A 22 3.013 -19.825 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.671 -19.393 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.343 -18.642 3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.537 -21.631 3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.092 -20.983 5.047 1.00 0.00 H new ATOM 282 N SER A 23 3.815 -17.304 1.972 1.00 0.00 N ATOM 283 CA SER A 23 4.440 -16.025 1.680 1.00 0.00 C ATOM 284 C SER A 23 5.753 -15.895 2.456 1.00 0.00 C ATOM 285 O SER A 23 5.752 -15.878 3.686 1.00 0.00 O ATOM 286 CB SER A 23 3.505 -14.864 2.022 1.00 0.00 C ATOM 287 OG SER A 23 4.099 -13.600 1.741 1.00 0.00 O ATOM 0 H SER A 23 2.800 -17.271 2.070 1.00 0.00 H new ATOM 0 HA SER A 23 4.651 -15.984 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.580 -14.964 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.238 -14.912 3.078 1.00 0.00 H new ATOM 0 HG SER A 23 3.470 -12.885 1.971 1.00 0.00 H new ATOM 293 N ALA A 24 6.841 -15.807 1.705 1.00 0.00 N ATOM 294 CA ALA A 24 8.157 -15.679 2.307 1.00 0.00 C ATOM 295 C ALA A 24 8.752 -14.319 1.936 1.00 0.00 C ATOM 296 O ALA A 24 9.596 -14.229 1.046 1.00 0.00 O ATOM 297 CB ALA A 24 9.040 -16.844 1.857 1.00 0.00 C ATOM 0 H ALA A 24 6.838 -15.822 0.685 1.00 0.00 H new ATOM 0 HA ALA A 24 8.088 -15.724 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.027 -16.748 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.588 -17.785 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.135 -16.830 0.771 1.00 0.00 H new ATOM 303 N GLN A 25 8.289 -13.295 2.638 1.00 0.00 N ATOM 304 CA GLN A 25 8.765 -11.944 2.393 1.00 0.00 C ATOM 305 C GLN A 25 7.932 -11.278 1.296 1.00 0.00 C ATOM 306 O GLN A 25 7.401 -11.955 0.418 1.00 0.00 O ATOM 307 CB GLN A 25 10.251 -11.944 2.030 1.00 0.00 C ATOM 308 CG GLN A 25 10.446 -11.792 0.520 1.00 0.00 C ATOM 309 CD GLN A 25 11.807 -12.340 0.085 1.00 0.00 C ATOM 310 OE1 GLN A 25 12.844 -11.728 0.284 1.00 0.00 O ATOM 311 NE2 GLN A 25 11.746 -13.524 -0.519 1.00 0.00 N ATOM 0 H GLN A 25 7.589 -13.374 3.376 1.00 0.00 H new ATOM 0 HA GLN A 25 8.649 -11.367 3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.756 -11.130 2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.712 -12.872 2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.652 -12.320 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.368 -10.740 0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.845 -13.982 -0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.601 -13.974 -0.847 1.00 0.00 H new ATOM 320 N PRO A 26 7.842 -9.924 1.386 1.00 0.00 N ATOM 321 CA PRO A 26 7.083 -9.159 0.411 1.00 0.00 C ATOM 322 C PRO A 26 7.839 -9.055 -0.915 1.00 0.00 C ATOM 323 O PRO A 26 8.968 -9.531 -1.028 1.00 0.00 O ATOM 324 CB PRO A 26 6.848 -7.808 1.068 1.00 0.00 C ATOM 325 CG PRO A 26 7.874 -7.704 2.185 1.00 0.00 C ATOM 326 CD PRO A 26 8.458 -9.089 2.413 1.00 0.00 C ATOM 0 HA PRO A 26 6.136 -9.632 0.151 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.970 -6.998 0.349 1.00 0.00 H new ATOM 0 HB3 PRO A 26 5.834 -7.736 1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.660 -6.998 1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.408 -7.331 3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.544 -9.081 2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.228 -9.456 3.413 1.00 0.00 H new ATOM 334 N VAL A 27 7.187 -8.431 -1.884 1.00 0.00 N ATOM 335 CA VAL A 27 7.783 -8.259 -3.198 1.00 0.00 C ATOM 336 C VAL A 27 7.457 -6.859 -3.722 1.00 0.00 C ATOM 337 O VAL A 27 6.312 -6.416 -3.649 1.00 0.00 O ATOM 338 CB VAL A 27 7.314 -9.373 -4.136 1.00 0.00 C ATOM 339 CG1 VAL A 27 7.929 -10.717 -3.742 1.00 0.00 C ATOM 340 CG2 VAL A 27 5.786 -9.457 -4.166 1.00 0.00 C ATOM 0 H VAL A 27 6.251 -8.038 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 27 8.868 -8.339 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 27 7.656 -9.130 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.579 -11.491 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.016 -10.650 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.631 -10.969 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.479 -10.257 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.413 -9.665 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.376 -8.510 -4.516 1.00 0.00 H new ATOM 350 N ALA A 28 8.485 -6.201 -4.238 1.00 0.00 N ATOM 351 CA ALA A 28 8.323 -4.860 -4.774 1.00 0.00 C ATOM 352 C ALA A 28 7.357 -4.903 -5.960 1.00 0.00 C ATOM 353 O ALA A 28 7.780 -5.053 -7.105 1.00 0.00 O ATOM 354 CB ALA A 28 9.691 -4.294 -5.157 1.00 0.00 C ATOM 0 H ALA A 28 9.433 -6.572 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 28 7.895 -4.196 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.569 -3.288 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.330 -4.257 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.151 -4.933 -5.911 1.00 0.00 H new ATOM 360 N ASN A 29 6.077 -4.770 -5.645 1.00 0.00 N ATOM 361 CA ASN A 29 5.047 -4.792 -6.670 1.00 0.00 C ATOM 362 C ASN A 29 5.532 -4.006 -7.890 1.00 0.00 C ATOM 363 O ASN A 29 6.157 -2.956 -7.749 1.00 0.00 O ATOM 364 CB ASN A 29 3.757 -4.139 -6.170 1.00 0.00 C ATOM 365 CG ASN A 29 2.575 -4.500 -7.071 1.00 0.00 C ATOM 366 OD1 ASN A 29 2.570 -4.246 -8.264 1.00 0.00 O ATOM 367 ND2 ASN A 29 1.575 -5.104 -6.435 1.00 0.00 N ATOM 0 H ASN A 29 5.729 -4.647 -4.694 1.00 0.00 H new ATOM 0 HA ASN A 29 4.848 -5.833 -6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.553 -4.463 -5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.880 -3.056 -6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.739 -5.384 -6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.644 -5.287 -5.434 1.00 0.00 H new ATOM 374 N GLU A 30 5.226 -4.545 -9.061 1.00 0.00 N ATOM 375 CA GLU A 30 5.622 -3.908 -10.305 1.00 0.00 C ATOM 376 C GLU A 30 4.721 -2.707 -10.597 1.00 0.00 C ATOM 377 O GLU A 30 5.121 -1.783 -11.304 1.00 0.00 O ATOM 378 CB GLU A 30 5.599 -4.906 -11.464 1.00 0.00 C ATOM 379 CG GLU A 30 6.737 -5.920 -11.338 1.00 0.00 C ATOM 380 CD GLU A 30 6.753 -6.556 -9.947 1.00 0.00 C ATOM 381 OE1 GLU A 30 5.757 -7.239 -9.624 1.00 0.00 O ATOM 382 OE2 GLU A 30 7.761 -6.346 -9.238 1.00 0.00 O ATOM 0 H GLU A 30 4.708 -5.416 -9.174 1.00 0.00 H new ATOM 0 HA GLU A 30 6.646 -3.551 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.642 -5.428 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.686 -4.372 -12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.623 -6.696 -12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.691 -5.427 -11.527 1.00 0.00 H new ATOM 389 N GLU A 31 3.520 -2.759 -10.039 1.00 0.00 N ATOM 390 CA GLU A 31 2.559 -1.686 -10.231 1.00 0.00 C ATOM 391 C GLU A 31 2.900 -0.499 -9.328 1.00 0.00 C ATOM 392 O GLU A 31 2.953 0.640 -9.788 1.00 0.00 O ATOM 393 CB GLU A 31 1.132 -2.177 -9.976 1.00 0.00 C ATOM 394 CG GLU A 31 0.236 -1.912 -11.187 1.00 0.00 C ATOM 395 CD GLU A 31 -1.013 -1.126 -10.784 1.00 0.00 C ATOM 396 OE1 GLU A 31 -1.462 -1.324 -9.634 1.00 0.00 O ATOM 397 OE2 GLU A 31 -1.490 -0.344 -11.634 1.00 0.00 O ATOM 0 H GLU A 31 3.191 -3.527 -9.454 1.00 0.00 H new ATOM 0 HA GLU A 31 2.615 -1.355 -11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.145 -3.244 -9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.722 -1.675 -9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.793 -1.355 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.057 -2.859 -11.641 1.00 0.00 H new ATOM 404 N ILE A 32 3.122 -0.808 -8.058 1.00 0.00 N ATOM 405 CA ILE A 32 3.457 0.220 -7.086 1.00 0.00 C ATOM 406 C ILE A 32 4.796 0.855 -7.464 1.00 0.00 C ATOM 407 O ILE A 32 4.986 2.059 -7.294 1.00 0.00 O ATOM 408 CB ILE A 32 3.426 -0.354 -5.668 1.00 0.00 C ATOM 409 CG1 ILE A 32 2.112 -1.092 -5.404 1.00 0.00 C ATOM 410 CG2 ILE A 32 3.689 0.738 -4.629 1.00 0.00 C ATOM 411 CD1 ILE A 32 1.983 -1.469 -3.927 1.00 0.00 C ATOM 0 H ILE A 32 3.077 -1.754 -7.680 1.00 0.00 H new ATOM 0 HA ILE A 32 2.712 1.015 -7.099 1.00 0.00 H new ATOM 0 HB ILE A 32 4.229 -1.085 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.272 -0.463 -5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.066 -1.991 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.661 0.304 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.670 1.180 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.923 1.510 -4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.041 -1.992 -3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.812 -2.118 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.005 -0.566 -3.318 1.00 0.00 H new ATOM 423 N VAL A 33 5.691 0.019 -7.968 1.00 0.00 N ATOM 424 CA VAL A 33 7.007 0.484 -8.370 1.00 0.00 C ATOM 425 C VAL A 33 6.889 1.265 -9.681 1.00 0.00 C ATOM 426 O VAL A 33 7.346 2.403 -9.773 1.00 0.00 O ATOM 427 CB VAL A 33 7.974 -0.698 -8.464 1.00 0.00 C ATOM 428 CG1 VAL A 33 9.273 -0.290 -9.162 1.00 0.00 C ATOM 429 CG2 VAL A 33 8.256 -1.287 -7.081 1.00 0.00 C ATOM 0 H VAL A 33 5.530 -0.979 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 33 7.416 1.163 -7.622 1.00 0.00 H new ATOM 0 HB VAL A 33 7.499 -1.472 -9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.942 -1.149 -9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.050 0.060 -10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.753 0.510 -8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.946 -2.125 -7.176 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.700 -0.522 -6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.323 -1.634 -6.636 1.00 0.00 H new ATOM 439 N ALA A 34 6.272 0.622 -10.662 1.00 0.00 N ATOM 440 CA ALA A 34 6.088 1.242 -11.963 1.00 0.00 C ATOM 441 C ALA A 34 5.454 2.623 -11.780 1.00 0.00 C ATOM 442 O ALA A 34 5.677 3.524 -12.587 1.00 0.00 O ATOM 443 CB ALA A 34 5.243 0.326 -12.850 1.00 0.00 C ATOM 0 H ALA A 34 5.893 -0.322 -10.582 1.00 0.00 H new ATOM 0 HA ALA A 34 7.048 1.383 -12.460 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.105 0.791 -13.826 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.750 -0.631 -12.972 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.271 0.164 -12.384 1.00 0.00 H new ATOM 449 N GLN A 35 4.678 2.745 -10.713 1.00 0.00 N ATOM 450 CA GLN A 35 4.010 4.001 -10.414 1.00 0.00 C ATOM 451 C GLN A 35 5.000 4.996 -9.804 1.00 0.00 C ATOM 452 O GLN A 35 5.035 6.161 -10.196 1.00 0.00 O ATOM 453 CB GLN A 35 2.814 3.779 -9.487 1.00 0.00 C ATOM 454 CG GLN A 35 1.589 3.310 -10.275 1.00 0.00 C ATOM 455 CD GLN A 35 0.403 3.054 -9.343 1.00 0.00 C ATOM 456 OE1 GLN A 35 -0.401 3.928 -9.064 1.00 0.00 O ATOM 457 NE2 GLN A 35 0.339 1.809 -8.878 1.00 0.00 N ATOM 0 H GLN A 35 4.497 1.996 -10.045 1.00 0.00 H new ATOM 0 HA GLN A 35 3.631 4.420 -11.346 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.069 3.038 -8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.580 4.705 -8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.318 4.063 -11.015 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.831 2.398 -10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.045 1.126 -9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.416 1.538 -8.248 1.00 0.00 H new ATOM 466 N LEU A 36 5.779 4.499 -8.854 1.00 0.00 N ATOM 467 CA LEU A 36 6.766 5.330 -8.186 1.00 0.00 C ATOM 468 C LEU A 36 7.871 5.699 -9.178 1.00 0.00 C ATOM 469 O LEU A 36 8.285 6.855 -9.250 1.00 0.00 O ATOM 470 CB LEU A 36 7.281 4.639 -6.922 1.00 0.00 C ATOM 471 CG LEU A 36 6.247 4.401 -5.819 1.00 0.00 C ATOM 472 CD1 LEU A 36 6.623 3.188 -4.966 1.00 0.00 C ATOM 473 CD2 LEU A 36 6.050 5.660 -4.972 1.00 0.00 C ATOM 0 H LEU A 36 5.747 3.532 -8.531 1.00 0.00 H new ATOM 0 HA LEU A 36 6.314 6.263 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.708 3.677 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.092 5.238 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 36 5.290 4.177 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.872 3.042 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.671 2.300 -5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.595 3.356 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.310 5.464 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.997 5.939 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.702 6.475 -5.607 1.00 0.00 H new ATOM 485 N VAL A 37 8.318 4.694 -9.918 1.00 0.00 N ATOM 486 CA VAL A 37 9.367 4.899 -10.902 1.00 0.00 C ATOM 487 C VAL A 37 8.913 5.952 -11.914 1.00 0.00 C ATOM 488 O VAL A 37 9.732 6.520 -12.635 1.00 0.00 O ATOM 489 CB VAL A 37 9.740 3.566 -11.554 1.00 0.00 C ATOM 490 CG1 VAL A 37 10.814 3.761 -12.626 1.00 0.00 C ATOM 491 CG2 VAL A 37 10.193 2.550 -10.503 1.00 0.00 C ATOM 0 H VAL A 37 7.973 3.736 -9.856 1.00 0.00 H new ATOM 0 HA VAL A 37 10.271 5.276 -10.423 1.00 0.00 H new ATOM 0 HB VAL A 37 8.849 3.170 -12.041 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.061 2.798 -13.073 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.440 4.434 -13.397 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.707 4.190 -12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.452 1.611 -10.992 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.065 2.937 -9.975 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.385 2.377 -9.792 1.00 0.00 H new ATOM 501 N SER A 38 7.608 6.183 -11.935 1.00 0.00 N ATOM 502 CA SER A 38 7.035 7.158 -12.847 1.00 0.00 C ATOM 503 C SER A 38 7.002 8.537 -12.185 1.00 0.00 C ATOM 504 O SER A 38 7.300 9.544 -12.825 1.00 0.00 O ATOM 505 CB SER A 38 5.628 6.744 -13.283 1.00 0.00 C ATOM 506 OG SER A 38 5.446 6.869 -14.690 1.00 0.00 O ATOM 0 H SER A 38 6.931 5.711 -11.335 1.00 0.00 H new ATOM 0 HA SER A 38 7.663 7.204 -13.737 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.445 5.712 -12.984 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.892 7.360 -12.766 1.00 0.00 H new ATOM 0 HG SER A 38 4.536 6.594 -14.928 1.00 0.00 H new ATOM 512 N MET A 39 6.637 8.538 -10.911 1.00 0.00 N ATOM 513 CA MET A 39 6.561 9.776 -10.155 1.00 0.00 C ATOM 514 C MET A 39 7.905 10.508 -10.166 1.00 0.00 C ATOM 515 O MET A 39 7.977 11.686 -9.819 1.00 0.00 O ATOM 516 CB MET A 39 6.157 9.470 -8.712 1.00 0.00 C ATOM 517 CG MET A 39 4.635 9.476 -8.555 1.00 0.00 C ATOM 518 SD MET A 39 4.195 9.158 -6.855 1.00 0.00 S ATOM 519 CE MET A 39 3.839 7.411 -6.948 1.00 0.00 C ATOM 0 H MET A 39 6.391 7.700 -10.383 1.00 0.00 H new ATOM 0 HA MET A 39 5.814 10.419 -10.621 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.552 8.498 -8.418 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.598 10.209 -8.043 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.233 10.439 -8.869 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.192 8.719 -9.202 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.947 6.965 -5.959 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.818 7.266 -7.302 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.534 6.934 -7.639 1.00 0.00 H new ATOM 529 N GLY A 40 8.936 9.779 -10.567 1.00 0.00 N ATOM 530 CA GLY A 40 10.273 10.344 -10.627 1.00 0.00 C ATOM 531 C GLY A 40 11.143 9.818 -9.483 1.00 0.00 C ATOM 532 O GLY A 40 12.026 10.522 -8.995 1.00 0.00 O ATOM 0 H GLY A 40 8.872 8.802 -10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.734 10.096 -11.583 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.215 11.431 -10.574 1.00 0.00 H new ATOM 536 N PHE A 41 10.861 8.585 -9.088 1.00 0.00 N ATOM 537 CA PHE A 41 11.607 7.957 -8.010 1.00 0.00 C ATOM 538 C PHE A 41 12.622 6.952 -8.559 1.00 0.00 C ATOM 539 O PHE A 41 12.785 6.829 -9.772 1.00 0.00 O ATOM 540 CB PHE A 41 10.592 7.214 -7.138 1.00 0.00 C ATOM 541 CG PHE A 41 9.772 8.126 -6.224 1.00 0.00 C ATOM 542 CD1 PHE A 41 9.083 9.175 -6.750 1.00 0.00 C ATOM 543 CD2 PHE A 41 9.731 7.888 -4.886 1.00 0.00 C ATOM 544 CE1 PHE A 41 8.322 10.021 -5.901 1.00 0.00 C ATOM 545 CE2 PHE A 41 8.970 8.734 -4.037 1.00 0.00 C ATOM 546 CZ PHE A 41 8.281 9.783 -4.562 1.00 0.00 C ATOM 0 H PHE A 41 10.127 8.005 -9.494 1.00 0.00 H new ATOM 0 HA PHE A 41 12.153 8.713 -7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.912 6.657 -7.783 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.120 6.483 -6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.115 9.364 -7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.278 7.055 -4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.775 10.854 -6.318 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.938 8.545 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.702 10.426 -3.916 1.00 0.00 H new ATOM 556 N SER A 42 13.277 6.259 -7.639 1.00 0.00 N ATOM 557 CA SER A 42 14.272 5.269 -8.016 1.00 0.00 C ATOM 558 C SER A 42 13.689 3.862 -7.876 1.00 0.00 C ATOM 559 O SER A 42 13.334 3.439 -6.777 1.00 0.00 O ATOM 560 CB SER A 42 15.536 5.407 -7.165 1.00 0.00 C ATOM 561 OG SER A 42 15.697 6.729 -6.658 1.00 0.00 O ATOM 0 H SER A 42 13.138 6.363 -6.634 1.00 0.00 H new ATOM 0 HA SER A 42 14.547 5.439 -9.057 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.492 4.703 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.407 5.140 -7.764 1.00 0.00 H new ATOM 0 HG SER A 42 15.439 6.751 -5.713 1.00 0.00 H new ATOM 567 N GLN A 43 13.607 3.174 -9.006 1.00 0.00 N ATOM 568 CA GLN A 43 13.073 1.823 -9.023 1.00 0.00 C ATOM 569 C GLN A 43 13.521 1.059 -7.776 1.00 0.00 C ATOM 570 O GLN A 43 12.691 0.628 -6.976 1.00 0.00 O ATOM 571 CB GLN A 43 13.489 1.085 -10.297 1.00 0.00 C ATOM 572 CG GLN A 43 12.907 -0.329 -10.326 1.00 0.00 C ATOM 573 CD GLN A 43 13.560 -1.168 -11.426 1.00 0.00 C ATOM 574 OE1 GLN A 43 14.763 -1.146 -11.628 1.00 0.00 O ATOM 575 NE2 GLN A 43 12.702 -1.907 -12.125 1.00 0.00 N ATOM 0 H GLN A 43 13.902 3.527 -9.916 1.00 0.00 H new ATOM 0 HA GLN A 43 11.985 1.884 -9.016 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.148 1.640 -11.171 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.576 1.036 -10.354 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.059 -0.809 -9.359 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.831 -0.280 -10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.707 -1.879 -11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.040 -2.502 -12.882 1.00 0.00 H new ATOM 584 N LEU A 44 14.832 0.916 -7.648 1.00 0.00 N ATOM 585 CA LEU A 44 15.400 0.211 -6.511 1.00 0.00 C ATOM 586 C LEU A 44 14.631 0.592 -5.244 1.00 0.00 C ATOM 587 O LEU A 44 14.117 -0.276 -4.541 1.00 0.00 O ATOM 588 CB LEU A 44 16.905 0.470 -6.418 1.00 0.00 C ATOM 589 CG LEU A 44 17.548 0.206 -5.055 1.00 0.00 C ATOM 590 CD1 LEU A 44 17.751 -1.293 -4.826 1.00 0.00 C ATOM 591 CD2 LEU A 44 18.853 0.991 -4.903 1.00 0.00 C ATOM 0 H LEU A 44 15.517 1.276 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 44 15.292 -0.866 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 44 17.407 -0.150 -7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.092 1.508 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 44 16.867 0.561 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 44 18.209 -1.453 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.787 -1.800 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 44 18.401 -1.695 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 44 19.289 0.785 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 44 19.552 0.690 -5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.648 2.058 -4.992 1.00 0.00 H new ATOM 603 N HIS A 45 14.576 1.892 -4.992 1.00 0.00 N ATOM 604 CA HIS A 45 13.879 2.398 -3.822 1.00 0.00 C ATOM 605 C HIS A 45 12.389 2.064 -3.928 1.00 0.00 C ATOM 606 O HIS A 45 11.807 1.507 -3.000 1.00 0.00 O ATOM 607 CB HIS A 45 14.140 3.894 -3.639 1.00 0.00 C ATOM 608 CG HIS A 45 15.569 4.305 -3.899 1.00 0.00 C ATOM 609 ND1 HIS A 45 15.931 5.602 -4.218 1.00 0.00 N ATOM 610 CD2 HIS A 45 16.723 3.577 -3.884 1.00 0.00 C ATOM 611 CE1 HIS A 45 17.244 5.641 -4.385 1.00 0.00 C ATOM 612 NE2 HIS A 45 17.733 4.385 -4.178 1.00 0.00 N ATOM 0 H HIS A 45 15.003 2.610 -5.578 1.00 0.00 H new ATOM 0 HA HIS A 45 14.262 1.910 -2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 45 13.485 4.451 -4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 45 13.871 4.177 -2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 45 16.801 2.521 -3.669 1.00 0.00 H new ATOM 0 HE1 HIS A 45 17.826 6.514 -4.640 1.00 0.00 H new ATOM 0 HE2 HIS A 45 18.714 4.112 -4.239 1.00 0.00 H new ATOM 620 N CYS A 46 11.816 2.420 -5.068 1.00 0.00 N ATOM 621 CA CYS A 46 10.406 2.165 -5.308 1.00 0.00 C ATOM 622 C CYS A 46 10.096 0.731 -4.876 1.00 0.00 C ATOM 623 O CYS A 46 9.028 0.460 -4.330 1.00 0.00 O ATOM 624 CB CYS A 46 10.026 2.416 -6.769 1.00 0.00 C ATOM 625 SG CYS A 46 10.323 4.169 -7.201 1.00 0.00 S ATOM 0 H CYS A 46 12.303 2.883 -5.836 1.00 0.00 H new ATOM 0 HA CYS A 46 9.804 2.858 -4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.611 1.768 -7.422 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.977 2.166 -6.929 1.00 0.00 H new ATOM 0 HG CYS A 46 11.069 4.234 -8.264 1.00 0.00 H new ATOM 631 N GLN A 47 11.051 -0.151 -5.137 1.00 0.00 N ATOM 632 CA GLN A 47 10.893 -1.551 -4.781 1.00 0.00 C ATOM 633 C GLN A 47 10.912 -1.718 -3.261 1.00 0.00 C ATOM 634 O GLN A 47 9.942 -2.197 -2.673 1.00 0.00 O ATOM 635 CB GLN A 47 11.976 -2.408 -5.440 1.00 0.00 C ATOM 636 CG GLN A 47 11.812 -2.425 -6.961 1.00 0.00 C ATOM 637 CD GLN A 47 12.636 -3.552 -7.589 1.00 0.00 C ATOM 638 OE1 GLN A 47 12.123 -4.588 -7.978 1.00 0.00 O ATOM 639 NE2 GLN A 47 13.938 -3.291 -7.666 1.00 0.00 N ATOM 0 H GLN A 47 11.936 0.077 -5.590 1.00 0.00 H new ATOM 0 HA GLN A 47 9.927 -1.894 -5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.961 -2.018 -5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.924 -3.426 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.760 -2.554 -7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.125 -1.467 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.301 -2.403 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.573 -3.979 -8.070 1.00 0.00 H new ATOM 648 N LYS A 48 12.025 -1.314 -2.666 1.00 0.00 N ATOM 649 CA LYS A 48 12.182 -1.413 -1.225 1.00 0.00 C ATOM 650 C LYS A 48 10.945 -0.828 -0.540 1.00 0.00 C ATOM 651 O LYS A 48 10.257 -1.523 0.206 1.00 0.00 O ATOM 652 CB LYS A 48 13.494 -0.763 -0.783 1.00 0.00 C ATOM 653 CG LYS A 48 14.694 -1.627 -1.178 1.00 0.00 C ATOM 654 CD LYS A 48 16.010 -0.929 -0.830 1.00 0.00 C ATOM 655 CE LYS A 48 17.174 -1.922 -0.832 1.00 0.00 C ATOM 656 NZ LYS A 48 18.026 -1.725 0.362 1.00 0.00 N ATOM 0 H LYS A 48 12.827 -0.917 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 48 12.252 -2.457 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.586 0.224 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.486 -0.617 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.640 -2.587 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.660 -1.835 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.205 -0.133 -1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.929 -0.460 0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.790 -2.942 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.769 -1.792 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.336 -2.650 0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.859 -1.157 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.483 -1.230 1.098 1.00 0.00 H new ATOM 670 N ALA A 49 10.700 0.444 -0.818 1.00 0.00 N ATOM 671 CA ALA A 49 9.558 1.131 -0.239 1.00 0.00 C ATOM 672 C ALA A 49 8.362 0.177 -0.199 1.00 0.00 C ATOM 673 O ALA A 49 7.971 -0.290 0.870 1.00 0.00 O ATOM 674 CB ALA A 49 9.265 2.401 -1.040 1.00 0.00 C ATOM 0 H ALA A 49 11.273 1.017 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 49 9.772 1.435 0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.408 2.916 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.135 3.057 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.043 2.136 -2.074 1.00 0.00 H new ATOM 680 N ALA A 50 7.813 -0.083 -1.376 1.00 0.00 N ATOM 681 CA ALA A 50 6.670 -0.972 -1.489 1.00 0.00 C ATOM 682 C ALA A 50 6.879 -2.183 -0.578 1.00 0.00 C ATOM 683 O ALA A 50 6.078 -2.432 0.322 1.00 0.00 O ATOM 684 CB ALA A 50 6.475 -1.371 -2.953 1.00 0.00 C ATOM 0 H ALA A 50 8.139 0.307 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 50 5.759 -0.468 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.617 -2.038 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.301 -0.478 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.368 -1.881 -3.313 1.00 0.00 H new ATOM 690 N ILE A 51 7.959 -2.903 -0.843 1.00 0.00 N ATOM 691 CA ILE A 51 8.283 -4.082 -0.058 1.00 0.00 C ATOM 692 C ILE A 51 8.168 -3.746 1.431 1.00 0.00 C ATOM 693 O ILE A 51 7.439 -4.410 2.166 1.00 0.00 O ATOM 694 CB ILE A 51 9.652 -4.633 -0.459 1.00 0.00 C ATOM 695 CG1 ILE A 51 9.631 -5.163 -1.895 1.00 0.00 C ATOM 696 CG2 ILE A 51 10.130 -5.693 0.535 1.00 0.00 C ATOM 697 CD1 ILE A 51 10.991 -5.743 -2.286 1.00 0.00 C ATOM 0 H ILE A 51 8.621 -2.693 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 51 7.571 -4.882 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 51 10.371 -3.815 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.863 -5.931 -1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.365 -4.358 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.106 -6.068 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.209 -5.251 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.416 -6.516 0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.948 -6.112 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.753 -4.967 -2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.243 -6.564 -1.615 1.00 0.00 H new ATOM 709 N ASN A 52 8.898 -2.715 1.830 1.00 0.00 N ATOM 710 CA ASN A 52 8.887 -2.283 3.217 1.00 0.00 C ATOM 711 C ASN A 52 7.439 -2.135 3.689 1.00 0.00 C ATOM 712 O ASN A 52 7.151 -2.284 4.876 1.00 0.00 O ATOM 713 CB ASN A 52 9.577 -0.927 3.377 1.00 0.00 C ATOM 714 CG ASN A 52 11.042 -1.102 3.784 1.00 0.00 C ATOM 715 OD1 ASN A 52 11.400 -1.046 4.949 1.00 0.00 O ATOM 716 ND2 ASN A 52 11.866 -1.315 2.762 1.00 0.00 N ATOM 0 H ASN A 52 9.501 -2.166 1.217 1.00 0.00 H new ATOM 0 HA ASN A 52 9.418 -3.030 3.807 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.520 -0.373 2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.055 -0.336 4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.864 -1.443 2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.500 -1.350 1.811 1.00 0.00 H new ATOM 723 N THR A 53 6.567 -1.843 2.736 1.00 0.00 N ATOM 724 CA THR A 53 5.156 -1.673 3.040 1.00 0.00 C ATOM 725 C THR A 53 4.334 -2.796 2.404 1.00 0.00 C ATOM 726 O THR A 53 3.149 -2.623 2.127 1.00 0.00 O ATOM 727 CB THR A 53 4.737 -0.276 2.575 1.00 0.00 C ATOM 728 OG1 THR A 53 5.445 -0.090 1.353 1.00 0.00 O ATOM 729 CG2 THR A 53 5.272 0.829 3.488 1.00 0.00 C ATOM 0 H THR A 53 6.810 -1.720 1.753 1.00 0.00 H new ATOM 0 HA THR A 53 4.971 -1.744 4.112 1.00 0.00 H new ATOM 0 HB THR A 53 3.649 -0.218 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.348 -0.889 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.946 1.800 3.114 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.890 0.683 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.361 0.793 3.503 1.00 0.00 H new ATOM 737 N SER A 54 4.998 -3.923 2.190 1.00 0.00 N ATOM 738 CA SER A 54 4.344 -5.075 1.592 1.00 0.00 C ATOM 739 C SER A 54 3.495 -4.633 0.398 1.00 0.00 C ATOM 740 O SER A 54 2.506 -5.281 0.062 1.00 0.00 O ATOM 741 CB SER A 54 3.477 -5.810 2.617 1.00 0.00 C ATOM 742 OG SER A 54 3.907 -7.154 2.813 1.00 0.00 O ATOM 0 H SER A 54 5.982 -4.063 2.420 1.00 0.00 H new ATOM 0 HA SER A 54 5.114 -5.765 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.508 -5.277 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.439 -5.806 2.284 1.00 0.00 H new ATOM 0 HG SER A 54 3.330 -7.589 3.475 1.00 0.00 H new ATOM 748 N ASN A 55 3.914 -3.533 -0.210 1.00 0.00 N ATOM 749 CA ASN A 55 3.205 -2.997 -1.359 1.00 0.00 C ATOM 750 C ASN A 55 1.736 -2.777 -0.990 1.00 0.00 C ATOM 751 O ASN A 55 0.848 -2.982 -1.815 1.00 0.00 O ATOM 752 CB ASN A 55 3.255 -3.969 -2.539 1.00 0.00 C ATOM 753 CG ASN A 55 4.240 -5.108 -2.271 1.00 0.00 C ATOM 754 OD1 ASN A 55 3.893 -6.277 -2.273 1.00 0.00 O ATOM 755 ND2 ASN A 55 5.486 -4.702 -2.040 1.00 0.00 N ATOM 0 H ASN A 55 4.736 -2.998 0.072 1.00 0.00 H new ATOM 0 HA ASN A 55 3.683 -2.060 -1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.261 -4.378 -2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.549 -3.435 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.218 -5.386 -1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.709 -3.707 -2.053 1.00 0.00 H new ATOM 762 N ALA A 56 1.527 -2.364 0.252 1.00 0.00 N ATOM 763 CA ALA A 56 0.182 -2.114 0.740 1.00 0.00 C ATOM 764 C ALA A 56 -0.521 -1.127 -0.194 1.00 0.00 C ATOM 765 O ALA A 56 -1.709 -1.273 -0.477 1.00 0.00 O ATOM 766 CB ALA A 56 0.248 -1.606 2.182 1.00 0.00 C ATOM 0 H ALA A 56 2.267 -2.196 0.934 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.401 -3.035 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.761 -1.418 2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.728 -2.356 2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.824 -0.681 2.216 1.00 0.00 H new ATOM 772 N GLY A 57 0.244 -0.144 -0.648 1.00 0.00 N ATOM 773 CA GLY A 57 -0.291 0.866 -1.544 1.00 0.00 C ATOM 774 C GLY A 57 0.799 1.852 -1.971 1.00 0.00 C ATOM 775 O GLY A 57 1.723 2.130 -1.209 1.00 0.00 O ATOM 0 H GLY A 57 1.229 -0.026 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.718 0.387 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.100 1.404 -1.050 1.00 0.00 H new ATOM 779 N VAL A 58 0.655 2.352 -3.190 1.00 0.00 N ATOM 780 CA VAL A 58 1.616 3.301 -3.728 1.00 0.00 C ATOM 781 C VAL A 58 1.940 4.350 -2.663 1.00 0.00 C ATOM 782 O VAL A 58 3.108 4.611 -2.379 1.00 0.00 O ATOM 783 CB VAL A 58 1.079 3.910 -5.024 1.00 0.00 C ATOM 784 CG1 VAL A 58 2.057 4.941 -5.591 1.00 0.00 C ATOM 785 CG2 VAL A 58 0.771 2.822 -6.055 1.00 0.00 C ATOM 0 H VAL A 58 -0.112 2.118 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 58 2.549 2.798 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 58 0.147 4.424 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.651 5.359 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.205 5.740 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.012 4.460 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.391 3.282 -6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.681 2.267 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.021 2.141 -5.652 1.00 0.00 H new ATOM 795 N GLU A 59 0.886 4.925 -2.103 1.00 0.00 N ATOM 796 CA GLU A 59 1.044 5.940 -1.076 1.00 0.00 C ATOM 797 C GLU A 59 1.937 5.420 0.052 1.00 0.00 C ATOM 798 O GLU A 59 2.805 6.140 0.544 1.00 0.00 O ATOM 799 CB GLU A 59 -0.315 6.390 -0.536 1.00 0.00 C ATOM 800 CG GLU A 59 -0.715 5.572 0.694 1.00 0.00 C ATOM 801 CD GLU A 59 -2.127 5.933 1.157 1.00 0.00 C ATOM 802 OE1 GLU A 59 -3.027 5.929 0.289 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.275 6.204 2.368 1.00 0.00 O ATOM 0 H GLU A 59 -0.081 4.707 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 59 1.526 6.809 -1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.275 7.448 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.073 6.281 -1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.666 4.509 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.006 5.753 1.502 1.00 0.00 H new ATOM 810 N GLU A 60 1.695 4.173 0.428 1.00 0.00 N ATOM 811 CA GLU A 60 2.467 3.548 1.489 1.00 0.00 C ATOM 812 C GLU A 60 3.935 3.429 1.077 1.00 0.00 C ATOM 813 O GLU A 60 4.827 3.838 1.820 1.00 0.00 O ATOM 814 CB GLU A 60 1.888 2.180 1.855 1.00 0.00 C ATOM 815 CG GLU A 60 0.979 2.279 3.082 1.00 0.00 C ATOM 816 CD GLU A 60 1.428 1.310 4.177 1.00 0.00 C ATOM 817 OE1 GLU A 60 1.766 0.162 3.816 1.00 0.00 O ATOM 818 OE2 GLU A 60 1.424 1.739 5.352 1.00 0.00 O ATOM 0 H GLU A 60 0.975 3.578 0.017 1.00 0.00 H new ATOM 0 HA GLU A 60 2.408 4.180 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.324 1.783 1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.699 1.480 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.991 3.299 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.049 2.059 2.796 1.00 0.00 H new ATOM 825 N ALA A 61 4.142 2.867 -0.104 1.00 0.00 N ATOM 826 CA ALA A 61 5.488 2.689 -0.624 1.00 0.00 C ATOM 827 C ALA A 61 6.230 4.026 -0.573 1.00 0.00 C ATOM 828 O ALA A 61 7.292 4.128 0.039 1.00 0.00 O ATOM 829 CB ALA A 61 5.417 2.115 -2.040 1.00 0.00 C ATOM 0 H ALA A 61 3.400 2.528 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 61 6.045 1.979 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.426 1.982 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.907 1.152 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.867 2.802 -2.684 1.00 0.00 H new ATOM 835 N MET A 62 5.641 5.019 -1.224 1.00 0.00 N ATOM 836 CA MET A 62 6.233 6.345 -1.261 1.00 0.00 C ATOM 837 C MET A 62 6.499 6.866 0.153 1.00 0.00 C ATOM 838 O MET A 62 7.616 7.274 0.468 1.00 0.00 O ATOM 839 CB MET A 62 5.291 7.305 -1.990 1.00 0.00 C ATOM 840 CG MET A 62 6.077 8.306 -2.838 1.00 0.00 C ATOM 841 SD MET A 62 5.024 9.668 -3.310 1.00 0.00 S ATOM 842 CE MET A 62 5.400 10.820 -2.000 1.00 0.00 C ATOM 0 H MET A 62 4.760 4.931 -1.730 1.00 0.00 H new ATOM 0 HA MET A 62 7.184 6.283 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.611 6.739 -2.626 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.678 7.840 -1.264 1.00 0.00 H new ATOM 0 HG2 MET A 62 6.934 8.677 -2.276 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.468 7.813 -3.728 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.481 11.296 -1.659 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.863 10.288 -1.169 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.086 11.581 -2.371 1.00 0.00 H new ATOM 852 N ASN A 63 5.454 6.836 0.967 1.00 0.00 N ATOM 853 CA ASN A 63 5.560 7.300 2.340 1.00 0.00 C ATOM 854 C ASN A 63 6.863 6.780 2.950 1.00 0.00 C ATOM 855 O ASN A 63 7.598 7.532 3.588 1.00 0.00 O ATOM 856 CB ASN A 63 4.399 6.779 3.189 1.00 0.00 C ATOM 857 CG ASN A 63 3.604 7.935 3.799 1.00 0.00 C ATOM 858 OD1 ASN A 63 4.125 9.003 4.077 1.00 0.00 O ATOM 859 ND2 ASN A 63 2.316 7.664 3.990 1.00 0.00 N ATOM 0 H ASN A 63 4.529 6.497 0.702 1.00 0.00 H new ATOM 0 HA ASN A 63 5.538 8.390 2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.741 6.165 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.783 6.138 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.700 8.371 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.944 6.749 3.735 1.00 0.00 H new ATOM 866 N TRP A 64 7.111 5.497 2.731 1.00 0.00 N ATOM 867 CA TRP A 64 8.312 4.867 3.251 1.00 0.00 C ATOM 868 C TRP A 64 9.521 5.581 2.643 1.00 0.00 C ATOM 869 O TRP A 64 10.480 5.895 3.347 1.00 0.00 O ATOM 870 CB TRP A 64 8.306 3.362 2.976 1.00 0.00 C ATOM 871 CG TRP A 64 9.536 2.626 3.512 1.00 0.00 C ATOM 872 CD1 TRP A 64 9.656 1.949 4.662 1.00 0.00 C ATOM 873 CD2 TRP A 64 10.822 2.520 2.867 1.00 0.00 C ATOM 874 NE1 TRP A 64 10.921 1.417 4.805 1.00 0.00 N ATOM 875 CE2 TRP A 64 11.653 1.775 3.679 1.00 0.00 C ATOM 876 CE3 TRP A 64 11.270 3.036 1.638 1.00 0.00 C ATOM 877 CZ2 TRP A 64 12.981 1.479 3.351 1.00 0.00 C ATOM 878 CZ3 TRP A 64 12.600 2.731 1.325 1.00 0.00 C ATOM 879 CH2 TRP A 64 13.449 1.983 2.132 1.00 0.00 C ATOM 0 H TRP A 64 6.500 4.876 2.200 1.00 0.00 H new ATOM 0 HA TRP A 64 8.359 4.964 4.336 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.412 2.925 3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 64 8.239 3.200 1.900 1.00 0.00 H new ATOM 0 HD1 TRP A 64 8.863 1.834 5.386 1.00 0.00 H new ATOM 0 HE1 TRP A 64 11.257 0.863 5.592 1.00 0.00 H new ATOM 0 HE3 TRP A 64 10.638 3.621 0.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 13.611 0.893 4.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 12.994 3.103 0.391 1.00 0.00 H new ATOM 0 HH2 TRP A 64 14.465 1.792 1.820 1.00 0.00 H new ATOM 890 N LEU A 65 9.437 5.816 1.342 1.00 0.00 N ATOM 891 CA LEU A 65 10.512 6.487 0.631 1.00 0.00 C ATOM 892 C LEU A 65 10.750 7.863 1.256 1.00 0.00 C ATOM 893 O LEU A 65 11.893 8.266 1.462 1.00 0.00 O ATOM 894 CB LEU A 65 10.214 6.535 -0.868 1.00 0.00 C ATOM 895 CG LEU A 65 10.495 5.250 -1.650 1.00 0.00 C ATOM 896 CD1 LEU A 65 9.268 4.818 -2.454 1.00 0.00 C ATOM 897 CD2 LEU A 65 11.734 5.406 -2.534 1.00 0.00 C ATOM 0 H LEU A 65 8.641 5.554 0.761 1.00 0.00 H new ATOM 0 HA LEU A 65 11.442 5.927 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.164 6.795 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.801 7.341 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 65 10.708 4.455 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.495 3.902 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.433 4.639 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.000 5.604 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.911 4.479 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.575 6.219 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.599 5.632 -1.911 1.00 0.00 H new ATOM 909 N LEU A 66 9.651 8.546 1.540 1.00 0.00 N ATOM 910 CA LEU A 66 9.725 9.869 2.137 1.00 0.00 C ATOM 911 C LEU A 66 10.391 9.767 3.511 1.00 0.00 C ATOM 912 O LEU A 66 10.780 10.779 4.093 1.00 0.00 O ATOM 913 CB LEU A 66 8.341 10.520 2.172 1.00 0.00 C ATOM 914 CG LEU A 66 7.550 10.486 0.862 1.00 0.00 C ATOM 915 CD1 LEU A 66 6.179 11.142 1.032 1.00 0.00 C ATOM 916 CD2 LEU A 66 8.351 11.117 -0.278 1.00 0.00 C ATOM 0 H LEU A 66 8.704 8.208 1.368 1.00 0.00 H new ATOM 0 HA LEU A 66 10.346 10.527 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.749 10.028 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.458 11.560 2.476 1.00 0.00 H new ATOM 0 HG LEU A 66 7.376 9.444 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.638 11.104 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.613 10.609 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.308 12.181 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.766 11.080 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.577 12.155 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.281 10.566 -0.417 1.00 0.00 H new ATOM 928 N SER A 67 10.503 8.537 3.989 1.00 0.00 N ATOM 929 CA SER A 67 11.116 8.289 5.283 1.00 0.00 C ATOM 930 C SER A 67 12.434 7.534 5.102 1.00 0.00 C ATOM 931 O SER A 67 13.235 7.445 6.031 1.00 0.00 O ATOM 932 CB SER A 67 10.174 7.503 6.197 1.00 0.00 C ATOM 933 OG SER A 67 9.543 8.341 7.161 1.00 0.00 O ATOM 0 H SER A 67 10.179 7.700 3.503 1.00 0.00 H new ATOM 0 HA SER A 67 11.318 9.250 5.756 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.413 7.008 5.594 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.734 6.720 6.708 1.00 0.00 H new ATOM 0 HG SER A 67 8.949 7.802 7.724 1.00 0.00 H new ATOM 939 N HIS A 68 12.617 7.008 3.900 1.00 0.00 N ATOM 940 CA HIS A 68 13.825 6.263 3.586 1.00 0.00 C ATOM 941 C HIS A 68 14.461 6.829 2.315 1.00 0.00 C ATOM 942 O HIS A 68 15.075 6.094 1.543 1.00 0.00 O ATOM 943 CB HIS A 68 13.527 4.765 3.483 1.00 0.00 C ATOM 944 CG HIS A 68 13.323 4.087 4.817 1.00 0.00 C ATOM 945 ND1 HIS A 68 14.070 2.995 5.224 1.00 0.00 N ATOM 946 CD2 HIS A 68 12.452 4.357 5.830 1.00 0.00 C ATOM 947 CE1 HIS A 68 13.656 2.632 6.429 1.00 0.00 C ATOM 948 NE2 HIS A 68 12.653 3.477 6.803 1.00 0.00 N ATOM 0 H HIS A 68 11.950 7.083 3.132 1.00 0.00 H new ATOM 0 HA HIS A 68 14.548 6.377 4.394 1.00 0.00 H new ATOM 0 HB2 HIS A 68 12.634 4.624 2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.349 4.276 2.960 1.00 0.00 H new ATOM 0 HD1 HIS A 68 14.813 2.546 4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.722 5.153 5.839 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.045 1.811 7.013 1.00 0.00 H new ATOM 956 N MET A 69 14.294 8.131 2.138 1.00 0.00 N ATOM 957 CA MET A 69 14.845 8.805 0.974 1.00 0.00 C ATOM 958 C MET A 69 16.310 9.182 1.202 1.00 0.00 C ATOM 959 O MET A 69 17.142 9.017 0.311 1.00 0.00 O ATOM 960 CB MET A 69 14.032 10.068 0.683 1.00 0.00 C ATOM 961 CG MET A 69 13.185 9.896 -0.579 1.00 0.00 C ATOM 962 SD MET A 69 14.129 10.371 -2.017 1.00 0.00 S ATOM 963 CE MET A 69 13.304 9.398 -3.266 1.00 0.00 C ATOM 0 H MET A 69 13.785 8.738 2.781 1.00 0.00 H new ATOM 0 HA MET A 69 14.792 8.125 0.124 1.00 0.00 H new ATOM 0 HB2 MET A 69 13.385 10.292 1.531 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.704 10.917 0.561 1.00 0.00 H new ATOM 0 HG2 MET A 69 12.862 8.859 -0.672 1.00 0.00 H new ATOM 0 HG3 MET A 69 12.284 10.505 -0.508 1.00 0.00 H new ATOM 0 HE1 MET A 69 13.772 9.577 -4.234 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.383 8.340 -3.014 1.00 0.00 H new ATOM 0 HE3 MET A 69 12.253 9.682 -3.313 1.00 0.00 H new ATOM 973 N ASP A 70 16.581 9.681 2.399 1.00 0.00 N ATOM 974 CA ASP A 70 17.931 10.083 2.754 1.00 0.00 C ATOM 975 C ASP A 70 18.543 9.032 3.682 1.00 0.00 C ATOM 976 O ASP A 70 19.130 9.371 4.709 1.00 0.00 O ATOM 977 CB ASP A 70 17.931 11.423 3.493 1.00 0.00 C ATOM 978 CG ASP A 70 19.147 12.310 3.222 1.00 0.00 C ATOM 979 OD1 ASP A 70 20.274 11.794 3.383 1.00 0.00 O ATOM 980 OD2 ASP A 70 18.922 13.485 2.860 1.00 0.00 O ATOM 0 H ASP A 70 15.888 9.816 3.135 1.00 0.00 H new ATOM 0 HA ASP A 70 18.507 10.179 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.031 11.973 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.872 11.230 4.564 1.00 0.00 H new ATOM 985 N ASP A 71 18.386 7.776 3.288 1.00 0.00 N ATOM 986 CA ASP A 71 18.917 6.674 4.071 1.00 0.00 C ATOM 987 C ASP A 71 20.014 5.968 3.273 1.00 0.00 C ATOM 988 O ASP A 71 20.029 6.027 2.044 1.00 0.00 O ATOM 989 CB ASP A 71 17.826 5.648 4.386 1.00 0.00 C ATOM 990 CG ASP A 71 17.215 5.762 5.784 1.00 0.00 C ATOM 991 OD1 ASP A 71 17.947 6.219 6.688 1.00 0.00 O ATOM 992 OD2 ASP A 71 16.029 5.389 5.917 1.00 0.00 O ATOM 0 H ASP A 71 17.898 7.498 2.436 1.00 0.00 H new ATOM 0 HA ASP A 71 19.310 7.081 5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.030 5.749 3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.244 4.648 4.269 1.00 0.00 H new ATOM 997 N PRO A 72 20.930 5.298 4.023 1.00 0.00 N ATOM 998 CA PRO A 72 22.029 4.582 3.398 1.00 0.00 C ATOM 999 C PRO A 72 21.543 3.277 2.764 1.00 0.00 C ATOM 1000 O PRO A 72 22.078 2.839 1.747 1.00 0.00 O ATOM 1001 CB PRO A 72 23.039 4.361 4.512 1.00 0.00 C ATOM 1002 CG PRO A 72 22.273 4.547 5.812 1.00 0.00 C ATOM 1003 CD PRO A 72 20.944 5.206 5.480 1.00 0.00 C ATOM 0 HA PRO A 72 22.479 5.138 2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.473 3.363 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.863 5.071 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.111 3.586 6.300 1.00 0.00 H new ATOM 0 HG3 PRO A 72 22.843 5.165 6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.106 4.614 5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 72 20.865 6.191 5.940 1.00 0.00 H new ATOM 1011 N ASP A 73 20.533 2.692 3.393 1.00 0.00 N ATOM 1012 CA ASP A 73 19.969 1.445 2.903 1.00 0.00 C ATOM 1013 C ASP A 73 19.358 1.676 1.520 1.00 0.00 C ATOM 1014 O ASP A 73 19.453 0.817 0.644 1.00 0.00 O ATOM 1015 CB ASP A 73 18.862 0.940 3.831 1.00 0.00 C ATOM 1016 CG ASP A 73 19.118 1.162 5.323 1.00 0.00 C ATOM 1017 OD1 ASP A 73 20.106 0.581 5.822 1.00 0.00 O ATOM 1018 OD2 ASP A 73 18.319 1.906 5.931 1.00 0.00 O ATOM 0 H ASP A 73 20.091 3.058 4.236 1.00 0.00 H new ATOM 0 HA ASP A 73 20.769 0.706 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 73 17.929 1.433 3.560 1.00 0.00 H new ATOM 0 HB3 ASP A 73 18.721 -0.127 3.657 1.00 0.00 H new ATOM 1023 N ILE A 74 18.743 2.840 1.366 1.00 0.00 N ATOM 1024 CA ILE A 74 18.117 3.194 0.104 1.00 0.00 C ATOM 1025 C ILE A 74 19.069 2.857 -1.046 1.00 0.00 C ATOM 1026 O ILE A 74 18.628 2.569 -2.157 1.00 0.00 O ATOM 1027 CB ILE A 74 17.666 4.656 0.121 1.00 0.00 C ATOM 1028 CG1 ILE A 74 16.387 4.846 -0.697 1.00 0.00 C ATOM 1029 CG2 ILE A 74 18.790 5.582 -0.349 1.00 0.00 C ATOM 1030 CD1 ILE A 74 15.221 4.071 -0.080 1.00 0.00 C ATOM 0 H ILE A 74 18.665 3.550 2.095 1.00 0.00 H new ATOM 0 HA ILE A 74 17.212 2.607 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 74 17.433 4.929 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.138 5.906 -0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.552 4.508 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.443 6.615 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 74 19.650 5.474 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.078 5.317 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.324 4.223 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.464 3.009 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.043 4.428 0.934 1.00 0.00 H new ATOM 1042 N ASP A 75 20.356 2.906 -0.739 1.00 0.00 N ATOM 1043 CA ASP A 75 21.374 2.609 -1.732 1.00 0.00 C ATOM 1044 C ASP A 75 21.670 1.108 -1.721 1.00 0.00 C ATOM 1045 O ASP A 75 21.905 0.510 -2.770 1.00 0.00 O ATOM 1046 CB ASP A 75 22.677 3.350 -1.424 1.00 0.00 C ATOM 1047 CG ASP A 75 22.658 4.848 -1.732 1.00 0.00 C ATOM 1048 OD1 ASP A 75 21.541 5.409 -1.755 1.00 0.00 O ATOM 1049 OD2 ASP A 75 23.760 5.400 -1.938 1.00 0.00 O ATOM 0 H ASP A 75 20.718 3.147 0.184 1.00 0.00 H new ATOM 0 HA ASP A 75 20.999 2.928 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 75 22.913 3.215 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 75 23.483 2.888 -1.993 1.00 0.00 H new ATOM 1054 N ALA A 76 21.649 0.542 -0.523 1.00 0.00 N ATOM 1055 CA ALA A 76 21.912 -0.878 -0.362 1.00 0.00 C ATOM 1056 C ALA A 76 21.026 -1.669 -1.326 1.00 0.00 C ATOM 1057 O ALA A 76 19.900 -1.265 -1.613 1.00 0.00 O ATOM 1058 CB ALA A 76 21.686 -1.276 1.098 1.00 0.00 C ATOM 0 H ALA A 76 21.454 1.041 0.345 1.00 0.00 H new ATOM 0 HA ALA A 76 22.950 -1.107 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 76 21.883 -2.341 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.360 -0.707 1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.654 -1.064 1.377 1.00 0.00 H new ATOM 1064 N PRO A 77 21.582 -2.811 -1.812 1.00 0.00 N ATOM 1065 CA PRO A 77 20.854 -3.662 -2.738 1.00 0.00 C ATOM 1066 C PRO A 77 19.768 -4.459 -2.013 1.00 0.00 C ATOM 1067 O PRO A 77 19.900 -4.759 -0.827 1.00 0.00 O ATOM 1068 CB PRO A 77 21.914 -4.547 -3.375 1.00 0.00 C ATOM 1069 CG PRO A 77 23.120 -4.482 -2.452 1.00 0.00 C ATOM 1070 CD PRO A 77 22.913 -3.320 -1.494 1.00 0.00 C ATOM 0 HA PRO A 77 20.318 -3.094 -3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 77 21.557 -5.571 -3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 77 22.168 -4.195 -4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 77 23.229 -5.416 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 77 24.035 -4.343 -3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 77 22.975 -3.647 -0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 77 23.674 -2.552 -1.632 1.00 0.00 H new ATOM 1078 N ILE A 78 18.718 -4.779 -2.755 1.00 0.00 N ATOM 1079 CA ILE A 78 17.610 -5.535 -2.197 1.00 0.00 C ATOM 1080 C ILE A 78 18.055 -6.978 -1.952 1.00 0.00 C ATOM 1081 O ILE A 78 17.895 -7.502 -0.851 1.00 0.00 O ATOM 1082 CB ILE A 78 16.376 -5.416 -3.093 1.00 0.00 C ATOM 1083 CG1 ILE A 78 15.767 -4.015 -3.004 1.00 0.00 C ATOM 1084 CG2 ILE A 78 15.354 -6.507 -2.767 1.00 0.00 C ATOM 1085 CD1 ILE A 78 14.762 -3.781 -4.135 1.00 0.00 C ATOM 0 H ILE A 78 18.611 -4.528 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 78 17.316 -5.124 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 78 16.689 -5.566 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 78 15.272 -3.890 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 78 16.558 -3.267 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.487 -6.399 -3.418 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.805 -7.487 -2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.041 -6.413 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 78 14.344 -2.778 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 78 15.266 -3.883 -5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 78 13.960 -4.516 -4.067 1.00 0.00 H new ATOM 1097 N SER A 79 18.604 -7.580 -2.997 1.00 0.00 N ATOM 1098 CA SER A 79 19.073 -8.952 -2.909 1.00 0.00 C ATOM 1099 C SER A 79 20.136 -9.212 -3.978 1.00 0.00 C ATOM 1100 O SER A 79 19.861 -9.858 -4.988 1.00 0.00 O ATOM 1101 CB SER A 79 17.915 -9.941 -3.061 1.00 0.00 C ATOM 1102 OG SER A 79 16.881 -9.701 -2.111 1.00 0.00 O ATOM 0 H SER A 79 18.734 -7.142 -3.909 1.00 0.00 H new ATOM 0 HA SER A 79 19.515 -9.099 -1.923 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.506 -9.868 -4.069 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.289 -10.958 -2.941 1.00 0.00 H new ATOM 0 HG SER A 79 16.160 -10.351 -2.241 1.00 0.00 H new ATOM 1108 N GLY A 80 21.328 -8.695 -3.719 1.00 0.00 N ATOM 1109 CA GLY A 80 22.434 -8.862 -4.647 1.00 0.00 C ATOM 1110 C GLY A 80 22.153 -8.147 -5.970 1.00 0.00 C ATOM 1111 O GLY A 80 21.234 -7.334 -6.057 1.00 0.00 O ATOM 0 H GLY A 80 21.552 -8.160 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 80 23.348 -8.467 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 80 22.601 -9.923 -4.831 1.00 0.00 H new ATOM 1115 N PRO A 81 22.983 -8.484 -6.993 1.00 0.00 N ATOM 1116 CA PRO A 81 22.834 -7.882 -8.307 1.00 0.00 C ATOM 1117 C PRO A 81 21.629 -8.470 -9.045 1.00 0.00 C ATOM 1118 O PRO A 81 21.383 -9.673 -8.979 1.00 0.00 O ATOM 1119 CB PRO A 81 24.152 -8.150 -9.015 1.00 0.00 C ATOM 1120 CG PRO A 81 24.813 -9.285 -8.250 1.00 0.00 C ATOM 1121 CD PRO A 81 24.082 -9.442 -6.926 1.00 0.00 C ATOM 0 HA PRO A 81 22.634 -6.812 -8.259 1.00 0.00 H new ATOM 0 HB2 PRO A 81 23.987 -8.425 -10.057 1.00 0.00 H new ATOM 0 HB3 PRO A 81 24.782 -7.261 -9.016 1.00 0.00 H new ATOM 0 HG2 PRO A 81 24.766 -10.210 -8.824 1.00 0.00 H new ATOM 0 HG3 PRO A 81 25.868 -9.068 -8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 81 23.713 -10.459 -6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 81 24.740 -9.231 -6.083 1.00 0.00 H new ATOM 1129 N SER A 82 20.910 -7.593 -9.731 1.00 0.00 N ATOM 1130 CA SER A 82 19.737 -8.010 -10.480 1.00 0.00 C ATOM 1131 C SER A 82 20.107 -8.238 -11.947 1.00 0.00 C ATOM 1132 O SER A 82 20.822 -7.433 -12.543 1.00 0.00 O ATOM 1133 CB SER A 82 18.616 -6.975 -10.370 1.00 0.00 C ATOM 1134 OG SER A 82 18.003 -6.987 -9.084 1.00 0.00 O ATOM 0 H SER A 82 21.117 -6.596 -9.784 1.00 0.00 H new ATOM 0 HA SER A 82 19.374 -8.945 -10.054 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.018 -5.982 -10.571 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.863 -7.174 -11.133 1.00 0.00 H new ATOM 0 HG SER A 82 17.294 -6.311 -9.053 1.00 0.00 H new ATOM 1140 N SER A 83 19.603 -9.337 -12.488 1.00 0.00 N ATOM 1141 CA SER A 83 19.872 -9.681 -13.874 1.00 0.00 C ATOM 1142 C SER A 83 19.243 -8.639 -14.802 1.00 0.00 C ATOM 1143 O SER A 83 18.051 -8.355 -14.705 1.00 0.00 O ATOM 1144 CB SER A 83 19.344 -11.077 -14.208 1.00 0.00 C ATOM 1145 OG SER A 83 17.949 -11.065 -14.499 1.00 0.00 O ATOM 0 H SER A 83 19.009 -10.001 -11.991 1.00 0.00 H new ATOM 0 HA SER A 83 20.952 -9.686 -14.022 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.889 -11.476 -15.063 1.00 0.00 H new ATOM 0 HB3 SER A 83 19.534 -11.747 -13.369 1.00 0.00 H new ATOM 0 HG SER A 83 17.622 -10.141 -14.495 1.00 0.00 H new ATOM 1151 N GLY A 84 20.074 -8.099 -15.682 1.00 0.00 N ATOM 1152 CA GLY A 84 19.615 -7.096 -16.626 1.00 0.00 C ATOM 1153 C GLY A 84 18.830 -5.991 -15.915 1.00 0.00 C ATOM 1154 O GLY A 84 18.666 -4.897 -16.453 1.00 0.00 O ATOM 0 H GLY A 84 21.063 -8.338 -15.760 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.470 -6.663 -17.146 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.986 -7.565 -17.383 1.00 0.00 H new TER 1158 GLY A 84