USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 751 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 82 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 50 THR OG1 : rot 46:sc= -0.0713 USER MOD Set 2.2: A 57 CYS SG : rot 110:sc= -0.814 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -163:sc= 0.887 USER MOD Single : A 8 ASN : amide:sc= -0.367 K(o=-0.37,f=-2.7!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 10 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.31) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 14 HIS : no HD1:sc= -0.721 X(o=-0.72,f=-0.37) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 19 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.8!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0603 X(o=-0.06,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.51) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 35 ASN : amide:sc= 0.108 K(o=0.11,f=-7.1!) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0.235 (180deg=0.199) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.321 K(o=-0.32,f=-1.5) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.076 K(o=-0.076,f=-1.5!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 62 HIS : no HD1:sc= -0.97 X(o=-0.97,f=-1.1) USER MOD Single : A 64 CYS SG : rot -62:sc= -4.22 USER MOD Single : A 65 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.2!) USER MOD Single : A 69 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.58) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -5.63! K(o=-5.6!,f=-2.3) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0657 USER MOD Single : A 97 GLN : amide:sc=-0.00929 X(o=-0.0093,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 41:sc= 1.16 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.919 28.873 1.815 1.00 0.00 N ATOM 2 CA GLY A 1 19.364 28.166 3.004 1.00 0.00 C ATOM 3 C GLY A 1 18.231 27.329 3.600 1.00 0.00 C ATOM 4 O GLY A 1 17.529 26.623 2.877 1.00 0.00 O ATOM 0 H1 GLY A 1 19.706 29.433 1.430 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.601 28.186 1.102 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.131 29.506 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.205 27.520 2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.721 28.882 3.745 1.00 0.00 H new ATOM 8 N SER A 2 18.087 27.435 4.913 1.00 0.00 N ATOM 9 CA SER A 2 17.051 26.696 5.614 1.00 0.00 C ATOM 10 C SER A 2 17.292 25.192 5.471 1.00 0.00 C ATOM 11 O SER A 2 17.472 24.692 4.362 1.00 0.00 O ATOM 12 CB SER A 2 15.661 27.063 5.089 1.00 0.00 C ATOM 13 OG SER A 2 14.735 27.294 6.147 1.00 0.00 O ATOM 0 H SER A 2 18.671 28.021 5.510 1.00 0.00 H new ATOM 0 HA SER A 2 17.094 26.965 6.669 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.732 27.956 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.290 26.260 4.452 1.00 0.00 H new ATOM 0 HG SER A 2 13.860 27.527 5.771 1.00 0.00 H new ATOM 19 N SER A 3 17.288 24.514 6.609 1.00 0.00 N ATOM 20 CA SER A 3 17.504 23.077 6.624 1.00 0.00 C ATOM 21 C SER A 3 16.161 22.346 6.672 1.00 0.00 C ATOM 22 O SER A 3 15.605 22.131 7.748 1.00 0.00 O ATOM 23 CB SER A 3 18.376 22.664 7.812 1.00 0.00 C ATOM 24 OG SER A 3 19.425 21.782 7.422 1.00 0.00 O ATOM 0 H SER A 3 17.139 24.933 7.527 1.00 0.00 H new ATOM 0 HA SER A 3 18.028 22.800 5.709 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.803 23.554 8.275 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.756 22.179 8.566 1.00 0.00 H new ATOM 0 HG SER A 3 19.960 21.543 8.207 1.00 0.00 H new ATOM 30 N GLY A 4 15.678 21.985 5.492 1.00 0.00 N ATOM 31 CA GLY A 4 14.410 21.283 5.386 1.00 0.00 C ATOM 32 C GLY A 4 13.305 22.219 4.894 1.00 0.00 C ATOM 33 O GLY A 4 13.393 23.433 5.066 1.00 0.00 O ATOM 0 H GLY A 4 16.142 22.165 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.512 20.442 4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.136 20.870 6.357 1.00 0.00 H new ATOM 37 N SER A 5 12.289 21.618 4.291 1.00 0.00 N ATOM 38 CA SER A 5 11.168 22.382 3.773 1.00 0.00 C ATOM 39 C SER A 5 10.099 21.436 3.222 1.00 0.00 C ATOM 40 O SER A 5 10.405 20.314 2.822 1.00 0.00 O ATOM 41 CB SER A 5 11.622 23.359 2.687 1.00 0.00 C ATOM 42 OG SER A 5 11.967 22.690 1.477 1.00 0.00 O ATOM 0 H SER A 5 12.220 20.610 4.150 1.00 0.00 H new ATOM 0 HA SER A 5 10.743 22.963 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.826 24.077 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.481 23.926 3.046 1.00 0.00 H new ATOM 0 HG SER A 5 12.250 23.348 0.808 1.00 0.00 H new ATOM 48 N SER A 6 8.867 21.924 3.219 1.00 0.00 N ATOM 49 CA SER A 6 7.751 21.135 2.724 1.00 0.00 C ATOM 50 C SER A 6 6.803 22.022 1.915 1.00 0.00 C ATOM 51 O SER A 6 6.683 23.216 2.183 1.00 0.00 O ATOM 52 CB SER A 6 6.999 20.463 3.874 1.00 0.00 C ATOM 53 OG SER A 6 7.425 19.119 4.077 1.00 0.00 O ATOM 0 H SER A 6 8.617 22.855 3.551 1.00 0.00 H new ATOM 0 HA SER A 6 8.145 20.351 2.077 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.152 21.034 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.929 20.477 3.665 1.00 0.00 H new ATOM 0 HG SER A 6 6.759 18.643 4.616 1.00 0.00 H new ATOM 59 N GLY A 7 6.152 21.403 0.941 1.00 0.00 N ATOM 60 CA GLY A 7 5.217 22.121 0.091 1.00 0.00 C ATOM 61 C GLY A 7 4.023 21.239 -0.279 1.00 0.00 C ATOM 62 O GLY A 7 3.533 20.473 0.549 1.00 0.00 O ATOM 0 H GLY A 7 6.254 20.412 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.867 23.016 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.724 22.451 -0.815 1.00 0.00 H new ATOM 66 N ASN A 8 3.590 21.376 -1.523 1.00 0.00 N ATOM 67 CA ASN A 8 2.462 20.601 -2.013 1.00 0.00 C ATOM 68 C ASN A 8 2.933 19.682 -3.142 1.00 0.00 C ATOM 69 O ASN A 8 3.998 19.896 -3.719 1.00 0.00 O ATOM 70 CB ASN A 8 1.368 21.513 -2.571 1.00 0.00 C ATOM 71 CG ASN A 8 0.082 20.727 -2.837 1.00 0.00 C ATOM 72 OD1 ASN A 8 -0.254 19.782 -2.142 1.00 0.00 O ATOM 73 ND2 ASN A 8 -0.616 21.168 -3.880 1.00 0.00 N ATOM 0 H ASN A 8 4.000 22.012 -2.207 1.00 0.00 H new ATOM 0 HA ASN A 8 2.061 20.025 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.167 22.319 -1.865 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.713 21.977 -3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.489 20.709 -4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.278 21.965 -4.420 1.00 0.00 H new ATOM 80 N GLN A 9 2.115 18.677 -3.424 1.00 0.00 N ATOM 81 CA GLN A 9 2.435 17.725 -4.473 1.00 0.00 C ATOM 82 C GLN A 9 2.865 18.460 -5.745 1.00 0.00 C ATOM 83 O GLN A 9 2.530 19.629 -5.933 1.00 0.00 O ATOM 84 CB GLN A 9 1.250 16.797 -4.751 1.00 0.00 C ATOM 85 CG GLN A 9 1.070 15.784 -3.618 1.00 0.00 C ATOM 86 CD GLN A 9 -0.162 14.908 -3.857 1.00 0.00 C ATOM 87 OE1 GLN A 9 -0.752 14.900 -4.925 1.00 0.00 O ATOM 88 NE2 GLN A 9 -0.515 14.174 -2.806 1.00 0.00 N ATOM 0 H GLN A 9 1.232 18.502 -2.944 1.00 0.00 H new ATOM 0 HA GLN A 9 3.267 17.108 -4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.340 17.387 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.408 16.271 -5.692 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.958 15.156 -3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.969 16.309 -2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.024 14.229 -1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.324 13.556 -2.864 1.00 0.00 H new ATOM 97 N ASN A 10 3.600 17.745 -6.583 1.00 0.00 N ATOM 98 CA ASN A 10 4.079 18.315 -7.831 1.00 0.00 C ATOM 99 C ASN A 10 4.208 17.206 -8.877 1.00 0.00 C ATOM 100 O ASN A 10 3.687 17.328 -9.984 1.00 0.00 O ATOM 101 CB ASN A 10 5.456 18.957 -7.650 1.00 0.00 C ATOM 102 CG ASN A 10 5.380 20.475 -7.823 1.00 0.00 C ATOM 103 OD1 ASN A 10 5.096 20.991 -8.892 1.00 0.00 O ATOM 104 ND2 ASN A 10 5.648 21.160 -6.715 1.00 0.00 N ATOM 0 H ASN A 10 3.876 16.776 -6.423 1.00 0.00 H new ATOM 0 HA ASN A 10 3.366 19.075 -8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.845 18.719 -6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.154 18.539 -8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.623 22.180 -6.727 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.879 20.666 -5.853 1.00 0.00 H new ATOM 111 N GLN A 11 4.906 16.148 -8.488 1.00 0.00 N ATOM 112 CA GLN A 11 5.110 15.018 -9.379 1.00 0.00 C ATOM 113 C GLN A 11 3.767 14.506 -9.903 1.00 0.00 C ATOM 114 O GLN A 11 2.750 14.606 -9.218 1.00 0.00 O ATOM 115 CB GLN A 11 5.887 13.902 -8.678 1.00 0.00 C ATOM 116 CG GLN A 11 6.551 12.973 -9.697 1.00 0.00 C ATOM 117 CD GLN A 11 6.016 11.546 -9.568 1.00 0.00 C ATOM 118 OE1 GLN A 11 5.859 11.010 -8.483 1.00 0.00 O ATOM 119 NE2 GLN A 11 5.746 10.962 -10.732 1.00 0.00 N ATOM 0 H GLN A 11 5.337 16.050 -7.569 1.00 0.00 H new ATOM 0 HA GLN A 11 5.705 15.352 -10.229 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.646 14.336 -8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.213 13.328 -8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.368 13.344 -10.706 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.631 12.975 -9.547 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.900 11.468 -11.604 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.384 10.008 -10.752 1.00 0.00 H new ATOM 128 N THR A 12 3.807 13.967 -11.113 1.00 0.00 N ATOM 129 CA THR A 12 2.606 13.439 -11.736 1.00 0.00 C ATOM 130 C THR A 12 2.856 12.025 -12.264 1.00 0.00 C ATOM 131 O THR A 12 3.955 11.715 -12.723 1.00 0.00 O ATOM 132 CB THR A 12 2.164 14.423 -12.822 1.00 0.00 C ATOM 133 OG1 THR A 12 3.315 14.565 -13.650 1.00 0.00 O ATOM 134 CG2 THR A 12 1.924 15.830 -12.273 1.00 0.00 C ATOM 0 H THR A 12 4.652 13.885 -11.678 1.00 0.00 H new ATOM 0 HA THR A 12 1.796 13.344 -11.013 1.00 0.00 H new ATOM 0 HB THR A 12 1.252 14.057 -13.295 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.117 15.185 -14.382 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.613 16.489 -13.084 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.143 15.796 -11.513 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.845 16.210 -11.830 1.00 0.00 H new ATOM 142 N GLN A 13 1.820 11.204 -12.180 1.00 0.00 N ATOM 143 CA GLN A 13 1.914 9.830 -12.643 1.00 0.00 C ATOM 144 C GLN A 13 0.983 9.607 -13.837 1.00 0.00 C ATOM 145 O GLN A 13 -0.219 9.852 -13.745 1.00 0.00 O ATOM 146 CB GLN A 13 1.601 8.848 -11.513 1.00 0.00 C ATOM 147 CG GLN A 13 2.666 7.753 -11.427 1.00 0.00 C ATOM 148 CD GLN A 13 2.956 7.382 -9.971 1.00 0.00 C ATOM 149 OE1 GLN A 13 2.241 7.754 -9.055 1.00 0.00 O ATOM 150 NE2 GLN A 13 4.041 6.630 -9.810 1.00 0.00 N ATOM 0 H GLN A 13 0.911 11.464 -11.798 1.00 0.00 H new ATOM 0 HA GLN A 13 2.938 9.646 -12.967 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.548 9.384 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.623 8.397 -11.679 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.330 6.870 -11.971 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.583 8.094 -11.909 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.595 6.354 -10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.319 6.329 -8.876 1.00 0.00 H new ATOM 159 N HIS A 14 1.573 9.144 -14.929 1.00 0.00 N ATOM 160 CA HIS A 14 0.811 8.885 -16.139 1.00 0.00 C ATOM 161 C HIS A 14 1.405 7.680 -16.871 1.00 0.00 C ATOM 162 O HIS A 14 0.754 6.645 -16.999 1.00 0.00 O ATOM 163 CB HIS A 14 0.743 10.137 -17.016 1.00 0.00 C ATOM 164 CG HIS A 14 -0.003 11.289 -16.385 1.00 0.00 C ATOM 165 ND1 HIS A 14 0.591 12.510 -16.118 1.00 0.00 N ATOM 166 CD2 HIS A 14 -1.299 11.393 -15.973 1.00 0.00 C ATOM 167 CE1 HIS A 14 -0.316 13.305 -15.569 1.00 0.00 C ATOM 168 NE2 HIS A 14 -1.487 12.610 -15.480 1.00 0.00 N ATOM 0 H HIS A 14 2.570 8.941 -15.001 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.218 8.637 -15.879 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.757 10.459 -17.251 1.00 0.00 H new ATOM 0 HB3 HIS A 14 0.263 9.881 -17.961 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.046 10.616 -16.037 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.156 14.324 -15.248 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.362 12.967 -15.097 1.00 0.00 H new ATOM 176 N LYS A 15 2.634 7.856 -17.333 1.00 0.00 N ATOM 177 CA LYS A 15 3.323 6.795 -18.049 1.00 0.00 C ATOM 178 C LYS A 15 3.127 5.473 -17.305 1.00 0.00 C ATOM 179 O LYS A 15 3.088 4.409 -17.922 1.00 0.00 O ATOM 180 CB LYS A 15 4.791 7.165 -18.271 1.00 0.00 C ATOM 181 CG LYS A 15 5.448 7.611 -16.964 1.00 0.00 C ATOM 182 CD LYS A 15 5.670 9.125 -16.950 1.00 0.00 C ATOM 183 CE LYS A 15 5.431 9.701 -15.553 1.00 0.00 C ATOM 184 NZ LYS A 15 6.719 10.012 -14.893 1.00 0.00 N ATOM 0 H LYS A 15 3.171 8.717 -17.226 1.00 0.00 H new ATOM 0 HA LYS A 15 2.897 6.667 -19.044 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.328 6.308 -18.678 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.861 7.965 -19.008 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.820 7.324 -16.121 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.402 7.099 -16.839 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.687 9.350 -17.271 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.998 9.601 -17.664 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.825 10.604 -15.624 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.870 8.987 -14.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.539 10.402 -13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.284 9.143 -14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.241 10.710 -15.461 1.00 0.00 H new ATOM 198 N GLN A 16 3.009 5.582 -15.990 1.00 0.00 N ATOM 199 CA GLN A 16 2.819 4.408 -15.155 1.00 0.00 C ATOM 200 C GLN A 16 1.393 4.376 -14.602 1.00 0.00 C ATOM 201 O GLN A 16 0.845 5.412 -14.227 1.00 0.00 O ATOM 202 CB GLN A 16 3.847 4.368 -14.023 1.00 0.00 C ATOM 203 CG GLN A 16 4.485 2.981 -13.911 1.00 0.00 C ATOM 204 CD GLN A 16 5.768 3.034 -13.079 1.00 0.00 C ATOM 205 OE1 GLN A 16 5.915 3.831 -12.167 1.00 0.00 O ATOM 206 NE2 GLN A 16 6.685 2.142 -13.442 1.00 0.00 N ATOM 0 H GLN A 16 3.041 6.466 -15.482 1.00 0.00 H new ATOM 0 HA GLN A 16 2.970 3.521 -15.770 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.620 5.115 -14.203 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.366 4.628 -13.080 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.779 2.288 -13.454 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.708 2.598 -14.907 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.497 1.504 -14.215 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.576 2.096 -12.947 1.00 0.00 H new ATOM 215 N ARG A 17 0.832 3.176 -14.569 1.00 0.00 N ATOM 216 CA ARG A 17 -0.520 2.995 -14.067 1.00 0.00 C ATOM 217 C ARG A 17 -0.690 3.715 -12.728 1.00 0.00 C ATOM 218 O ARG A 17 -0.177 3.262 -11.706 1.00 0.00 O ATOM 219 CB ARG A 17 -0.846 1.512 -13.886 1.00 0.00 C ATOM 220 CG ARG A 17 -0.863 0.785 -15.232 1.00 0.00 C ATOM 221 CD ARG A 17 0.075 -0.423 -15.216 1.00 0.00 C ATOM 222 NE ARG A 17 -0.281 -1.356 -16.309 1.00 0.00 N ATOM 223 CZ ARG A 17 -0.058 -1.112 -17.607 1.00 0.00 C ATOM 224 NH1 ARG A 17 0.523 0.036 -17.983 1.00 0.00 N ATOM 225 NH2 ARG A 17 -0.414 -2.016 -18.530 1.00 0.00 N ATOM 0 H ARG A 17 1.289 2.319 -14.882 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.206 3.419 -14.801 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.108 1.051 -13.229 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.816 1.406 -13.399 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.878 0.459 -15.460 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.564 1.472 -16.024 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.108 -0.093 -15.330 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.008 -0.933 -14.255 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.724 -2.240 -16.058 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.795 0.724 -17.281 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.693 0.222 -18.971 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.855 -2.890 -18.244 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.244 -1.830 -19.518 1.00 0.00 H new ATOM 239 N PRO A 18 -1.431 4.855 -12.778 1.00 0.00 N ATOM 240 CA PRO A 18 -1.675 5.642 -11.582 1.00 0.00 C ATOM 241 C PRO A 18 -2.712 4.966 -10.683 1.00 0.00 C ATOM 242 O PRO A 18 -3.442 4.081 -11.128 1.00 0.00 O ATOM 243 CB PRO A 18 -2.126 7.001 -12.091 1.00 0.00 C ATOM 244 CG PRO A 18 -2.563 6.784 -13.530 1.00 0.00 C ATOM 245 CD PRO A 18 -2.053 5.422 -13.971 1.00 0.00 C ATOM 0 HA PRO A 18 -0.789 5.740 -10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.946 7.391 -11.488 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.316 7.728 -12.034 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.649 6.829 -13.610 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.163 7.568 -14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.867 4.792 -14.331 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.336 5.513 -14.787 1.00 0.00 H new ATOM 253 N GLN A 19 -2.745 5.408 -9.435 1.00 0.00 N ATOM 254 CA GLN A 19 -3.681 4.857 -8.470 1.00 0.00 C ATOM 255 C GLN A 19 -3.973 5.880 -7.370 1.00 0.00 C ATOM 256 O GLN A 19 -3.149 6.095 -6.482 1.00 0.00 O ATOM 257 CB GLN A 19 -3.151 3.550 -7.876 1.00 0.00 C ATOM 258 CG GLN A 19 -1.623 3.567 -7.792 1.00 0.00 C ATOM 259 CD GLN A 19 -1.001 2.803 -8.963 1.00 0.00 C ATOM 260 OE1 GLN A 19 -1.649 2.025 -9.644 1.00 0.00 O ATOM 261 NE2 GLN A 19 0.288 3.067 -9.157 1.00 0.00 N ATOM 0 H GLN A 19 -2.138 6.142 -9.069 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.614 4.631 -8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.572 3.401 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.476 2.709 -8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.267 4.597 -7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.302 3.121 -6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.770 3.729 -8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.795 2.607 -9.913 1.00 0.00 H new ATOM 270 N ALA A 20 -5.149 6.483 -7.464 1.00 0.00 N ATOM 271 CA ALA A 20 -5.560 7.478 -6.488 1.00 0.00 C ATOM 272 C ALA A 20 -6.992 7.923 -6.792 1.00 0.00 C ATOM 273 O ALA A 20 -7.802 8.084 -5.881 1.00 0.00 O ATOM 274 CB ALA A 20 -4.572 8.646 -6.502 1.00 0.00 C ATOM 0 H ALA A 20 -5.830 6.302 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.552 7.056 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.880 9.392 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.575 8.282 -6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.555 9.097 -7.494 1.00 0.00 H new ATOM 280 N THR A 21 -7.260 8.108 -8.076 1.00 0.00 N ATOM 281 CA THR A 21 -8.580 8.531 -8.512 1.00 0.00 C ATOM 282 C THR A 21 -9.623 7.466 -8.166 1.00 0.00 C ATOM 283 O THR A 21 -10.050 7.360 -7.018 1.00 0.00 O ATOM 284 CB THR A 21 -8.507 8.846 -10.007 1.00 0.00 C ATOM 285 OG1 THR A 21 -7.645 9.979 -10.081 1.00 0.00 O ATOM 286 CG2 THR A 21 -9.838 9.354 -10.565 1.00 0.00 C ATOM 0 H THR A 21 -6.585 7.973 -8.829 1.00 0.00 H new ATOM 0 HA THR A 21 -8.897 9.434 -7.990 1.00 0.00 H new ATOM 0 HB THR A 21 -8.203 7.952 -10.551 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.540 10.250 -11.017 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.730 9.562 -11.629 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.607 8.595 -10.420 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.126 10.267 -10.044 1.00 0.00 H new ATOM 294 N ALA A 22 -10.002 6.703 -9.181 1.00 0.00 N ATOM 295 CA ALA A 22 -10.986 5.650 -9.000 1.00 0.00 C ATOM 296 C ALA A 22 -10.284 4.381 -8.513 1.00 0.00 C ATOM 297 O ALA A 22 -10.849 3.614 -7.734 1.00 0.00 O ATOM 298 CB ALA A 22 -11.746 5.430 -10.309 1.00 0.00 C ATOM 0 H ALA A 22 -9.645 6.794 -10.132 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.717 5.934 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.484 4.640 -10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.251 6.352 -10.596 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.045 5.141 -11.092 1.00 0.00 H new ATOM 304 N GLU A 23 -9.062 4.197 -8.992 1.00 0.00 N ATOM 305 CA GLU A 23 -8.277 3.034 -8.615 1.00 0.00 C ATOM 306 C GLU A 23 -8.321 2.833 -7.099 1.00 0.00 C ATOM 307 O GLU A 23 -8.592 1.732 -6.623 1.00 0.00 O ATOM 308 CB GLU A 23 -6.835 3.162 -9.110 1.00 0.00 C ATOM 309 CG GLU A 23 -6.251 1.791 -9.456 1.00 0.00 C ATOM 310 CD GLU A 23 -6.556 1.416 -10.908 1.00 0.00 C ATOM 311 OE1 GLU A 23 -6.210 2.232 -11.790 1.00 0.00 O ATOM 312 OE2 GLU A 23 -7.128 0.322 -11.103 1.00 0.00 O ATOM 0 H GLU A 23 -8.596 4.834 -9.638 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.713 2.156 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.804 3.807 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.224 3.638 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.173 1.801 -9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.664 1.036 -8.787 1.00 0.00 H new ATOM 319 N GLN A 24 -8.050 3.914 -6.382 1.00 0.00 N ATOM 320 CA GLN A 24 -8.054 3.870 -4.930 1.00 0.00 C ATOM 321 C GLN A 24 -9.334 3.201 -4.424 1.00 0.00 C ATOM 322 O GLN A 24 -9.276 2.199 -3.714 1.00 0.00 O ATOM 323 CB GLN A 24 -7.897 5.272 -4.338 1.00 0.00 C ATOM 324 CG GLN A 24 -7.516 5.203 -2.858 1.00 0.00 C ATOM 325 CD GLN A 24 -8.590 5.856 -1.985 1.00 0.00 C ATOM 326 OE1 GLN A 24 -8.523 7.025 -1.645 1.00 0.00 O ATOM 327 NE2 GLN A 24 -9.580 5.036 -1.643 1.00 0.00 N ATOM 0 H GLN A 24 -7.826 4.826 -6.780 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.201 3.276 -4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.132 5.820 -4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.829 5.825 -4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.384 4.163 -2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.561 5.703 -2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.574 4.067 -1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.346 5.376 -1.061 1.00 0.00 H new ATOM 336 N ILE A 25 -10.460 3.784 -4.808 1.00 0.00 N ATOM 337 CA ILE A 25 -11.752 3.257 -4.402 1.00 0.00 C ATOM 338 C ILE A 25 -11.732 1.731 -4.509 1.00 0.00 C ATOM 339 O ILE A 25 -12.058 1.034 -3.550 1.00 0.00 O ATOM 340 CB ILE A 25 -12.875 3.916 -5.205 1.00 0.00 C ATOM 341 CG1 ILE A 25 -13.030 5.390 -4.825 1.00 0.00 C ATOM 342 CG2 ILE A 25 -14.187 3.143 -5.048 1.00 0.00 C ATOM 343 CD1 ILE A 25 -13.657 6.188 -5.969 1.00 0.00 C ATOM 0 H ILE A 25 -10.505 4.616 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.953 3.501 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.605 3.883 -6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.651 5.476 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.055 5.809 -4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.969 3.632 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.053 2.122 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.474 3.123 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.756 7.232 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.021 6.120 -6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.642 5.781 -6.199 1.00 0.00 H new ATOM 355 N ARG A 26 -11.347 1.257 -5.685 1.00 0.00 N ATOM 356 CA ARG A 26 -11.281 -0.173 -5.930 1.00 0.00 C ATOM 357 C ARG A 26 -10.216 -0.816 -5.039 1.00 0.00 C ATOM 358 O ARG A 26 -10.413 -1.916 -4.526 1.00 0.00 O ATOM 359 CB ARG A 26 -10.954 -0.466 -7.396 1.00 0.00 C ATOM 360 CG ARG A 26 -12.230 -0.561 -8.234 1.00 0.00 C ATOM 361 CD ARG A 26 -12.450 -1.989 -8.738 1.00 0.00 C ATOM 362 NE ARG A 26 -13.658 -2.045 -9.591 1.00 0.00 N ATOM 363 CZ ARG A 26 -13.973 -3.080 -10.381 1.00 0.00 C ATOM 364 NH1 ARG A 26 -13.171 -4.152 -10.432 1.00 0.00 N ATOM 365 NH2 ARG A 26 -15.090 -3.043 -11.121 1.00 0.00 N ATOM 0 H ARG A 26 -11.078 1.839 -6.479 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.258 -0.595 -5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.312 0.320 -7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.397 -1.400 -7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.086 -0.246 -7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.165 0.121 -9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.580 -2.322 -9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.560 -2.669 -7.893 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.291 -1.245 -9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.321 -4.180 -9.869 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.411 -4.940 -11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.700 -2.227 -11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.330 -3.831 -11.722 1.00 0.00 H new ATOM 379 N LEU A 27 -9.112 -0.101 -4.882 1.00 0.00 N ATOM 380 CA LEU A 27 -8.016 -0.588 -4.062 1.00 0.00 C ATOM 381 C LEU A 27 -8.516 -0.816 -2.634 1.00 0.00 C ATOM 382 O LEU A 27 -8.456 -1.934 -2.123 1.00 0.00 O ATOM 383 CB LEU A 27 -6.818 0.361 -4.149 1.00 0.00 C ATOM 384 CG LEU A 27 -6.041 0.340 -5.467 1.00 0.00 C ATOM 385 CD1 LEU A 27 -4.658 0.972 -5.298 1.00 0.00 C ATOM 386 CD2 LEU A 27 -5.958 -1.079 -6.032 1.00 0.00 C ATOM 0 H LEU A 27 -8.953 0.812 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.660 -1.549 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.171 1.377 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.129 0.120 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.584 0.944 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.127 0.944 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.768 2.007 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.093 0.416 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.401 -1.066 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.450 -1.726 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.964 -1.458 -6.214 1.00 0.00 H new ATOM 398 N ALA A 28 -8.997 0.260 -2.030 1.00 0.00 N ATOM 399 CA ALA A 28 -9.507 0.191 -0.671 1.00 0.00 C ATOM 400 C ALA A 28 -10.628 -0.848 -0.604 1.00 0.00 C ATOM 401 O ALA A 28 -10.953 -1.348 0.472 1.00 0.00 O ATOM 402 CB ALA A 28 -9.972 1.580 -0.228 1.00 0.00 C ATOM 0 H ALA A 28 -9.045 1.185 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.723 -0.125 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.354 1.528 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.132 2.274 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.761 1.929 -0.894 1.00 0.00 H new ATOM 408 N GLN A 29 -11.189 -1.143 -1.768 1.00 0.00 N ATOM 409 CA GLN A 29 -12.266 -2.114 -1.855 1.00 0.00 C ATOM 410 C GLN A 29 -11.698 -3.531 -1.950 1.00 0.00 C ATOM 411 O GLN A 29 -12.286 -4.476 -1.427 1.00 0.00 O ATOM 412 CB GLN A 29 -13.183 -1.809 -3.041 1.00 0.00 C ATOM 413 CG GLN A 29 -14.066 -3.014 -3.375 1.00 0.00 C ATOM 414 CD GLN A 29 -15.505 -2.577 -3.659 1.00 0.00 C ATOM 415 OE1 GLN A 29 -16.075 -1.744 -2.975 1.00 0.00 O ATOM 416 NE2 GLN A 29 -16.057 -3.185 -4.705 1.00 0.00 N ATOM 0 H GLN A 29 -10.918 -0.726 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.865 -2.046 -0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.809 -0.948 -2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.582 -1.541 -3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.663 -3.536 -4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.054 -3.720 -2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.523 -3.874 -5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.014 -2.963 -4.977 1.00 0.00 H new ATOM 425 N MET A 30 -10.561 -3.634 -2.622 1.00 0.00 N ATOM 426 CA MET A 30 -9.907 -4.920 -2.793 1.00 0.00 C ATOM 427 C MET A 30 -9.091 -5.289 -1.553 1.00 0.00 C ATOM 428 O MET A 30 -9.111 -6.437 -1.111 1.00 0.00 O ATOM 429 CB MET A 30 -8.985 -4.866 -4.013 1.00 0.00 C ATOM 430 CG MET A 30 -9.773 -5.082 -5.306 1.00 0.00 C ATOM 431 SD MET A 30 -8.703 -5.749 -6.570 1.00 0.00 S ATOM 432 CE MET A 30 -7.855 -4.262 -7.075 1.00 0.00 C ATOM 0 H MET A 30 -10.076 -2.848 -3.055 1.00 0.00 H new ATOM 0 HA MET A 30 -10.674 -5.680 -2.940 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.479 -3.901 -4.048 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.211 -5.629 -3.923 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.604 -5.763 -5.125 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.202 -4.138 -5.642 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.143 -4.500 -7.865 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.580 -3.538 -7.446 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.323 -3.839 -6.223 1.00 0.00 H new ATOM 442 N ILE A 31 -8.393 -4.294 -1.025 1.00 0.00 N ATOM 443 CA ILE A 31 -7.572 -4.500 0.156 1.00 0.00 C ATOM 444 C ILE A 31 -8.452 -5.000 1.303 1.00 0.00 C ATOM 445 O ILE A 31 -7.991 -5.747 2.164 1.00 0.00 O ATOM 446 CB ILE A 31 -6.787 -3.230 0.491 1.00 0.00 C ATOM 447 CG1 ILE A 31 -5.563 -3.086 -0.415 1.00 0.00 C ATOM 448 CG2 ILE A 31 -6.410 -3.194 1.974 1.00 0.00 C ATOM 449 CD1 ILE A 31 -5.532 -1.708 -1.079 1.00 0.00 C ATOM 0 H ILE A 31 -8.379 -3.343 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.823 -5.270 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.430 -2.371 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.654 -3.233 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.579 -3.862 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.853 -2.281 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.316 -3.215 2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.793 -4.060 2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.652 -1.632 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.430 -1.574 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.491 -0.935 -0.311 1.00 0.00 H new ATOM 461 N SER A 32 -9.704 -4.568 1.277 1.00 0.00 N ATOM 462 CA SER A 32 -10.654 -4.962 2.304 1.00 0.00 C ATOM 463 C SER A 32 -11.011 -6.441 2.146 1.00 0.00 C ATOM 464 O SER A 32 -11.142 -7.161 3.135 1.00 0.00 O ATOM 465 CB SER A 32 -11.917 -4.101 2.246 1.00 0.00 C ATOM 466 OG SER A 32 -12.750 -4.298 3.386 1.00 0.00 O ATOM 0 H SER A 32 -10.083 -3.949 0.561 1.00 0.00 H new ATOM 0 HA SER A 32 -10.188 -4.809 3.278 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.636 -3.050 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.477 -4.340 1.342 1.00 0.00 H new ATOM 0 HG SER A 32 -13.545 -3.730 3.312 1.00 0.00 H new ATOM 472 N ASP A 33 -11.160 -6.851 0.895 1.00 0.00 N ATOM 473 CA ASP A 33 -11.500 -8.231 0.595 1.00 0.00 C ATOM 474 C ASP A 33 -10.263 -9.111 0.790 1.00 0.00 C ATOM 475 O ASP A 33 -10.376 -10.330 0.903 1.00 0.00 O ATOM 476 CB ASP A 33 -11.962 -8.382 -0.856 1.00 0.00 C ATOM 477 CG ASP A 33 -12.060 -9.824 -1.357 1.00 0.00 C ATOM 478 OD1 ASP A 33 -12.677 -10.635 -0.635 1.00 0.00 O ATOM 479 OD2 ASP A 33 -11.514 -10.082 -2.452 1.00 0.00 O ATOM 0 H ASP A 33 -11.051 -6.251 0.077 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.306 -8.532 1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.939 -7.910 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.272 -7.836 -1.500 1.00 0.00 H new ATOM 484 N HIS A 34 -9.111 -8.457 0.825 1.00 0.00 N ATOM 485 CA HIS A 34 -7.855 -9.164 1.005 1.00 0.00 C ATOM 486 C HIS A 34 -7.067 -8.527 2.151 1.00 0.00 C ATOM 487 O HIS A 34 -6.100 -7.804 1.918 1.00 0.00 O ATOM 488 CB HIS A 34 -7.064 -9.210 -0.304 1.00 0.00 C ATOM 489 CG HIS A 34 -7.672 -10.106 -1.357 1.00 0.00 C ATOM 490 ND1 HIS A 34 -7.697 -11.485 -1.244 1.00 0.00 N ATOM 491 CD2 HIS A 34 -8.276 -9.805 -2.542 1.00 0.00 C ATOM 492 CE1 HIS A 34 -8.291 -11.982 -2.319 1.00 0.00 C ATOM 493 NE2 HIS A 34 -8.649 -10.939 -3.123 1.00 0.00 N ATOM 0 H HIS A 34 -9.022 -7.445 0.732 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.054 -10.200 1.278 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.984 -8.199 -0.704 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.050 -9.551 -0.093 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.426 -8.812 -2.940 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.462 -13.029 -2.523 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -9.125 -11.018 -4.022 1.00 0.00 H new ATOM 501 N ASN A 35 -7.511 -8.819 3.365 1.00 0.00 N ATOM 502 CA ASN A 35 -6.859 -8.283 4.549 1.00 0.00 C ATOM 503 C ASN A 35 -6.488 -9.434 5.486 1.00 0.00 C ATOM 504 O ASN A 35 -6.891 -10.575 5.264 1.00 0.00 O ATOM 505 CB ASN A 35 -7.790 -7.336 5.309 1.00 0.00 C ATOM 506 CG ASN A 35 -7.018 -6.136 5.862 1.00 0.00 C ATOM 507 OD1 ASN A 35 -6.175 -6.257 6.736 1.00 0.00 O ATOM 508 ND2 ASN A 35 -7.352 -4.975 5.306 1.00 0.00 N ATOM 0 H ASN A 35 -8.314 -9.419 3.555 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.972 -7.736 4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.582 -6.989 4.646 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.271 -7.872 6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.894 -4.115 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.067 -4.945 4.579 1.00 0.00 H new ATOM 515 N ASP A 36 -5.724 -9.095 6.514 1.00 0.00 N ATOM 516 CA ASP A 36 -5.294 -10.086 7.486 1.00 0.00 C ATOM 517 C ASP A 36 -5.123 -9.415 8.850 1.00 0.00 C ATOM 518 O ASP A 36 -4.758 -8.243 8.928 1.00 0.00 O ATOM 519 CB ASP A 36 -3.950 -10.699 7.089 1.00 0.00 C ATOM 520 CG ASP A 36 -4.044 -11.980 6.257 1.00 0.00 C ATOM 521 OD1 ASP A 36 -4.691 -12.930 6.749 1.00 0.00 O ATOM 522 OD2 ASP A 36 -3.468 -11.979 5.148 1.00 0.00 O ATOM 0 H ASP A 36 -5.392 -8.148 6.695 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.050 -10.870 7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.382 -9.959 6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.383 -10.913 7.995 1.00 0.00 H new ATOM 527 N ALA A 37 -5.395 -10.187 9.892 1.00 0.00 N ATOM 528 CA ALA A 37 -5.276 -9.681 11.249 1.00 0.00 C ATOM 529 C ALA A 37 -3.948 -8.937 11.397 1.00 0.00 C ATOM 530 O ALA A 37 -3.859 -7.959 12.138 1.00 0.00 O ATOM 531 CB ALA A 37 -5.408 -10.841 12.239 1.00 0.00 C ATOM 0 H ALA A 37 -5.697 -11.159 9.824 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.076 -8.973 11.466 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.319 -10.462 13.257 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.380 -11.318 12.113 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.619 -11.570 12.053 1.00 0.00 H new ATOM 537 N ASP A 38 -2.948 -9.429 10.680 1.00 0.00 N ATOM 538 CA ASP A 38 -1.628 -8.823 10.722 1.00 0.00 C ATOM 539 C ASP A 38 -1.737 -7.346 10.338 1.00 0.00 C ATOM 540 O ASP A 38 -1.523 -6.466 11.171 1.00 0.00 O ATOM 541 CB ASP A 38 -0.679 -9.500 9.732 1.00 0.00 C ATOM 542 CG ASP A 38 -0.436 -10.989 9.984 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.090 -11.321 11.139 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.602 -11.763 9.016 1.00 0.00 O ATOM 0 H ASP A 38 -3.026 -10.240 10.067 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.236 -8.938 11.733 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.080 -9.378 8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.279 -8.981 9.758 1.00 0.00 H new ATOM 549 N PHE A 39 -2.071 -7.119 9.076 1.00 0.00 N ATOM 550 CA PHE A 39 -2.211 -5.764 8.571 1.00 0.00 C ATOM 551 C PHE A 39 -3.217 -4.969 9.406 1.00 0.00 C ATOM 552 O PHE A 39 -2.999 -3.793 9.693 1.00 0.00 O ATOM 553 CB PHE A 39 -2.731 -5.873 7.136 1.00 0.00 C ATOM 554 CG PHE A 39 -2.784 -4.538 6.390 1.00 0.00 C ATOM 555 CD1 PHE A 39 -1.668 -4.054 5.782 1.00 0.00 C ATOM 556 CD2 PHE A 39 -3.947 -3.835 6.336 1.00 0.00 C ATOM 557 CE1 PHE A 39 -1.717 -2.815 5.090 1.00 0.00 C ATOM 558 CE2 PHE A 39 -3.997 -2.596 5.644 1.00 0.00 C ATOM 559 CZ PHE A 39 -2.881 -2.112 5.036 1.00 0.00 C ATOM 0 H PHE A 39 -2.249 -7.851 8.388 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.252 -5.248 8.618 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.095 -6.562 6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.731 -6.307 7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.744 -4.612 5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.833 -4.219 6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.831 -2.431 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.921 -2.038 5.601 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.918 -1.169 4.510 1.00 0.00 H new ATOM 569 N GLU A 40 -4.298 -5.643 9.772 1.00 0.00 N ATOM 570 CA GLU A 40 -5.338 -5.015 10.568 1.00 0.00 C ATOM 571 C GLU A 40 -4.738 -4.400 11.835 1.00 0.00 C ATOM 572 O GLU A 40 -4.869 -3.199 12.068 1.00 0.00 O ATOM 573 CB GLU A 40 -6.443 -6.014 10.915 1.00 0.00 C ATOM 574 CG GLU A 40 -7.515 -6.046 9.824 1.00 0.00 C ATOM 575 CD GLU A 40 -8.780 -6.751 10.319 1.00 0.00 C ATOM 576 OE1 GLU A 40 -8.635 -7.884 10.827 1.00 0.00 O ATOM 577 OE2 GLU A 40 -9.862 -6.142 10.178 1.00 0.00 O ATOM 0 H GLU A 40 -4.476 -6.618 9.531 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.788 -4.217 9.977 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.014 -7.008 11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.897 -5.743 11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.758 -5.028 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.128 -6.560 8.944 1.00 0.00 H new ATOM 584 N GLU A 41 -4.094 -5.251 12.619 1.00 0.00 N ATOM 585 CA GLU A 41 -3.473 -4.806 13.856 1.00 0.00 C ATOM 586 C GLU A 41 -2.564 -3.604 13.591 1.00 0.00 C ATOM 587 O GLU A 41 -2.487 -2.688 14.409 1.00 0.00 O ATOM 588 CB GLU A 41 -2.697 -5.945 14.520 1.00 0.00 C ATOM 589 CG GLU A 41 -3.264 -6.258 15.907 1.00 0.00 C ATOM 590 CD GLU A 41 -2.143 -6.588 16.895 1.00 0.00 C ATOM 591 OE1 GLU A 41 -1.631 -5.629 17.512 1.00 0.00 O ATOM 592 OE2 GLU A 41 -1.825 -7.791 17.012 1.00 0.00 O ATOM 0 H GLU A 41 -3.988 -6.246 12.422 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.260 -4.497 14.544 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.745 -6.836 13.894 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.645 -5.672 14.606 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.835 -5.404 16.271 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.954 -7.099 15.840 1.00 0.00 H new ATOM 599 N LYS A 42 -1.899 -3.646 12.446 1.00 0.00 N ATOM 600 CA LYS A 42 -0.999 -2.572 12.064 1.00 0.00 C ATOM 601 C LYS A 42 -1.812 -1.307 11.782 1.00 0.00 C ATOM 602 O LYS A 42 -1.591 -0.271 12.407 1.00 0.00 O ATOM 603 CB LYS A 42 -0.112 -3.006 10.896 1.00 0.00 C ATOM 604 CG LYS A 42 0.871 -4.096 11.329 1.00 0.00 C ATOM 605 CD LYS A 42 2.132 -4.073 10.463 1.00 0.00 C ATOM 606 CE LYS A 42 3.191 -5.031 11.012 1.00 0.00 C ATOM 607 NZ LYS A 42 4.539 -4.637 10.543 1.00 0.00 N ATOM 0 H LYS A 42 -1.966 -4.407 11.770 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.317 -2.338 12.882 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.734 -3.375 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.438 -2.146 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.141 -3.952 12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.392 -5.073 11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.880 -4.351 9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.535 -3.061 10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.163 -5.028 12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.971 -6.049 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.221 -5.385 10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.521 -4.498 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.823 -3.750 11.007 1.00 0.00 H new ATOM 621 N VAL A 43 -2.735 -1.433 10.839 1.00 0.00 N ATOM 622 CA VAL A 43 -3.582 -0.313 10.467 1.00 0.00 C ATOM 623 C VAL A 43 -4.030 0.425 11.730 1.00 0.00 C ATOM 624 O VAL A 43 -3.981 1.653 11.786 1.00 0.00 O ATOM 625 CB VAL A 43 -4.753 -0.804 9.614 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.767 0.318 9.377 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.260 -1.386 8.288 1.00 0.00 C ATOM 0 H VAL A 43 -2.914 -2.294 10.322 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.027 0.399 9.855 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.256 -1.600 10.163 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.589 -0.057 8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.154 0.667 10.334 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.280 1.145 8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.113 -1.728 7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.721 -0.619 7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.595 -2.227 8.485 1.00 0.00 H new ATOM 637 N LYS A 44 -4.455 -0.355 12.713 1.00 0.00 N ATOM 638 CA LYS A 44 -4.912 0.209 13.972 1.00 0.00 C ATOM 639 C LYS A 44 -3.745 0.920 14.659 1.00 0.00 C ATOM 640 O LYS A 44 -3.838 2.104 14.982 1.00 0.00 O ATOM 641 CB LYS A 44 -5.569 -0.870 14.835 1.00 0.00 C ATOM 642 CG LYS A 44 -7.022 -1.100 14.413 1.00 0.00 C ATOM 643 CD LYS A 44 -7.627 -2.291 15.158 1.00 0.00 C ATOM 644 CE LYS A 44 -9.052 -2.573 14.676 1.00 0.00 C ATOM 645 NZ LYS A 44 -10.004 -2.505 15.807 1.00 0.00 N ATOM 0 H LYS A 44 -4.493 -1.373 12.663 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.684 0.958 13.797 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.009 -1.801 14.748 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.534 -0.574 15.883 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.609 -0.204 14.615 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.069 -1.277 13.338 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.006 -3.174 15.005 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.635 -2.089 16.229 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.334 -1.849 13.912 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.097 -3.559 14.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.966 -2.699 15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.743 -3.213 16.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.972 -1.556 16.231 1.00 0.00 H new ATOM 659 N GLN A 45 -2.673 0.169 14.864 1.00 0.00 N ATOM 660 CA GLN A 45 -1.489 0.713 15.507 1.00 0.00 C ATOM 661 C GLN A 45 -1.129 2.069 14.898 1.00 0.00 C ATOM 662 O GLN A 45 -0.712 2.982 15.608 1.00 0.00 O ATOM 663 CB GLN A 45 -0.314 -0.262 15.408 1.00 0.00 C ATOM 664 CG GLN A 45 -0.065 -0.959 16.748 1.00 0.00 C ATOM 665 CD GLN A 45 0.759 -0.071 17.683 1.00 0.00 C ATOM 666 OE1 GLN A 45 0.321 0.976 18.132 1.00 0.00 O ATOM 667 NE2 GLN A 45 1.972 -0.545 17.949 1.00 0.00 N ATOM 0 H GLN A 45 -2.600 -0.812 14.596 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.709 0.859 16.565 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.519 -1.007 14.639 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.584 0.275 15.101 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.018 -1.203 17.218 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.458 -1.901 16.581 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.275 -1.429 17.539 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.599 -0.025 18.563 1.00 0.00 H new ATOM 676 N LEU A 46 -1.303 2.157 13.587 1.00 0.00 N ATOM 677 CA LEU A 46 -1.002 3.387 12.873 1.00 0.00 C ATOM 678 C LEU A 46 -1.911 4.505 13.387 1.00 0.00 C ATOM 679 O LEU A 46 -1.431 5.503 13.923 1.00 0.00 O ATOM 680 CB LEU A 46 -1.093 3.165 11.362 1.00 0.00 C ATOM 681 CG LEU A 46 0.134 2.535 10.701 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.253 1.795 9.420 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.221 3.582 10.453 1.00 0.00 C ATOM 0 H LEU A 46 -1.648 1.397 13.001 1.00 0.00 H new ATOM 0 HA LEU A 46 0.025 3.698 13.065 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.956 2.531 11.159 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.285 4.126 10.885 1.00 0.00 H new ATOM 0 HG LEU A 46 0.550 1.796 11.386 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.638 1.356 8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.966 1.005 9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.707 2.495 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.082 3.108 9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.833 4.361 9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.524 4.024 11.402 1.00 0.00 H new ATOM 695 N ILE A 47 -3.207 4.301 13.205 1.00 0.00 N ATOM 696 CA ILE A 47 -4.188 5.280 13.644 1.00 0.00 C ATOM 697 C ILE A 47 -3.874 5.702 15.080 1.00 0.00 C ATOM 698 O ILE A 47 -4.196 6.817 15.488 1.00 0.00 O ATOM 699 CB ILE A 47 -5.606 4.738 13.458 1.00 0.00 C ATOM 700 CG1 ILE A 47 -5.981 4.678 11.976 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.615 5.552 14.272 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.035 3.599 11.720 1.00 0.00 C ATOM 0 H ILE A 47 -3.601 3.472 12.760 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.132 6.178 13.029 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.634 3.717 13.838 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.362 5.647 11.654 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.092 4.471 11.380 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.615 5.146 14.122 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.357 5.499 15.330 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.592 6.591 13.945 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.284 3.578 10.659 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.642 2.628 12.020 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.932 3.822 12.298 1.00 0.00 H new ATOM 714 N ASP A 48 -3.248 4.788 15.808 1.00 0.00 N ATOM 715 CA ASP A 48 -2.887 5.052 17.191 1.00 0.00 C ATOM 716 C ASP A 48 -1.551 5.796 17.231 1.00 0.00 C ATOM 717 O ASP A 48 -1.344 6.661 18.081 1.00 0.00 O ATOM 718 CB ASP A 48 -2.727 3.748 17.976 1.00 0.00 C ATOM 719 CG ASP A 48 -3.581 3.646 19.241 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.600 4.368 19.297 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.195 2.849 20.123 1.00 0.00 O ATOM 0 H ASP A 48 -2.982 3.865 15.466 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.681 5.648 17.640 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.975 2.914 17.320 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.679 3.635 18.253 1.00 0.00 H new ATOM 726 N ILE A 49 -0.679 5.432 16.303 1.00 0.00 N ATOM 727 CA ILE A 49 0.632 6.054 16.221 1.00 0.00 C ATOM 728 C ILE A 49 0.515 7.383 15.472 1.00 0.00 C ATOM 729 O ILE A 49 0.615 8.451 16.074 1.00 0.00 O ATOM 730 CB ILE A 49 1.646 5.088 15.607 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.761 3.810 16.440 1.00 0.00 C ATOM 732 CG2 ILE A 49 3.003 5.769 15.411 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.029 2.596 15.548 1.00 0.00 C ATOM 0 H ILE A 49 -0.854 4.714 15.601 1.00 0.00 H new ATOM 0 HA ILE A 49 1.009 6.282 17.218 1.00 0.00 H new ATOM 0 HB ILE A 49 1.286 4.797 14.620 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.566 3.917 17.167 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.841 3.655 17.004 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.706 5.060 14.973 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.888 6.624 14.745 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.383 6.108 16.375 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.106 1.701 16.165 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.210 2.478 14.839 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.962 2.743 15.004 1.00 0.00 H new ATOM 745 N THR A 50 0.305 7.274 14.168 1.00 0.00 N ATOM 746 CA THR A 50 0.174 8.453 13.330 1.00 0.00 C ATOM 747 C THR A 50 -0.957 9.347 13.841 1.00 0.00 C ATOM 748 O THR A 50 -0.714 10.304 14.575 1.00 0.00 O ATOM 749 CB THR A 50 -0.024 7.987 11.886 1.00 0.00 C ATOM 750 OG1 THR A 50 -0.585 6.684 12.016 1.00 0.00 O ATOM 751 CG2 THR A 50 1.301 7.752 11.159 1.00 0.00 C ATOM 0 H THR A 50 0.222 6.387 13.672 1.00 0.00 H new ATOM 0 HA THR A 50 1.074 9.067 13.368 1.00 0.00 H new ATOM 0 HB THR A 50 -0.609 8.729 11.342 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.299 6.701 12.687 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.103 7.423 10.139 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.873 8.680 11.136 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.873 6.986 11.683 1.00 0.00 H new ATOM 759 N GLY A 51 -2.170 9.004 13.432 1.00 0.00 N ATOM 760 CA GLY A 51 -3.340 9.764 13.839 1.00 0.00 C ATOM 761 C GLY A 51 -4.279 10.002 12.655 1.00 0.00 C ATOM 762 O GLY A 51 -5.411 10.446 12.835 1.00 0.00 O ATOM 0 H GLY A 51 -2.368 8.210 12.823 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.870 9.228 14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.029 10.721 14.259 1.00 0.00 H new ATOM 766 N LYS A 52 -3.773 9.696 11.469 1.00 0.00 N ATOM 767 CA LYS A 52 -4.552 9.871 10.255 1.00 0.00 C ATOM 768 C LYS A 52 -5.796 8.982 10.320 1.00 0.00 C ATOM 769 O LYS A 52 -6.099 8.408 11.365 1.00 0.00 O ATOM 770 CB LYS A 52 -3.683 9.623 9.020 1.00 0.00 C ATOM 771 CG LYS A 52 -2.445 10.522 9.032 1.00 0.00 C ATOM 772 CD LYS A 52 -2.764 11.902 8.452 1.00 0.00 C ATOM 773 CE LYS A 52 -1.667 12.358 7.488 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.901 13.756 7.062 1.00 0.00 N ATOM 0 H LYS A 52 -2.833 9.328 11.323 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.899 10.901 10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.377 8.577 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.265 9.811 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.078 10.629 10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.647 10.056 8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.721 11.869 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.866 12.626 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.693 12.277 7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.646 11.704 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.148 14.050 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.822 13.823 6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.898 14.378 7.896 1.00 0.00 H new ATOM 788 N ASN A 53 -6.482 8.895 9.190 1.00 0.00 N ATOM 789 CA ASN A 53 -7.685 8.085 9.105 1.00 0.00 C ATOM 790 C ASN A 53 -7.308 6.660 8.697 1.00 0.00 C ATOM 791 O ASN A 53 -6.258 6.439 8.096 1.00 0.00 O ATOM 792 CB ASN A 53 -8.649 8.639 8.054 1.00 0.00 C ATOM 793 CG ASN A 53 -9.386 9.872 8.581 1.00 0.00 C ATOM 794 OD1 ASN A 53 -9.608 10.033 9.770 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.753 10.729 7.633 1.00 0.00 N ATOM 0 H ASN A 53 -6.227 9.372 8.325 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.170 8.098 10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.097 8.899 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.371 7.871 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.252 11.583 7.883 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.535 10.533 6.656 1.00 0.00 H new ATOM 802 N GLN A 54 -8.186 5.728 9.039 1.00 0.00 N ATOM 803 CA GLN A 54 -7.959 4.330 8.716 1.00 0.00 C ATOM 804 C GLN A 54 -7.679 4.170 7.220 1.00 0.00 C ATOM 805 O GLN A 54 -6.602 3.721 6.832 1.00 0.00 O ATOM 806 CB GLN A 54 -9.147 3.468 9.147 1.00 0.00 C ATOM 807 CG GLN A 54 -8.732 2.004 9.307 1.00 0.00 C ATOM 808 CD GLN A 54 -9.748 1.235 10.155 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.944 1.467 10.097 1.00 0.00 O ATOM 810 NE2 GLN A 54 -9.206 0.311 10.943 1.00 0.00 N ATOM 0 H GLN A 54 -9.056 5.914 9.537 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.084 3.987 9.268 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.549 3.841 10.089 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.944 3.545 8.408 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.645 1.538 8.326 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.748 1.950 9.774 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.196 0.169 10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.800 -0.255 11.548 1.00 0.00 H new ATOM 819 N ASP A 55 -8.667 4.546 6.422 1.00 0.00 N ATOM 820 CA ASP A 55 -8.540 4.450 4.978 1.00 0.00 C ATOM 821 C ASP A 55 -7.127 4.867 4.565 1.00 0.00 C ATOM 822 O ASP A 55 -6.438 4.128 3.864 1.00 0.00 O ATOM 823 CB ASP A 55 -9.532 5.379 4.275 1.00 0.00 C ATOM 824 CG ASP A 55 -11.003 4.986 4.422 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.410 4.038 3.717 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.687 5.642 5.236 1.00 0.00 O ATOM 0 H ASP A 55 -9.559 4.918 6.748 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.745 3.419 4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.401 6.388 4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.285 5.413 3.214 1.00 0.00 H new ATOM 831 N GLU A 56 -6.738 6.050 5.018 1.00 0.00 N ATOM 832 CA GLU A 56 -5.419 6.574 4.705 1.00 0.00 C ATOM 833 C GLU A 56 -4.337 5.588 5.149 1.00 0.00 C ATOM 834 O GLU A 56 -3.487 5.192 4.353 1.00 0.00 O ATOM 835 CB GLU A 56 -5.208 7.946 5.348 1.00 0.00 C ATOM 836 CG GLU A 56 -6.187 8.975 4.778 1.00 0.00 C ATOM 837 CD GLU A 56 -5.506 9.859 3.732 1.00 0.00 C ATOM 838 OE1 GLU A 56 -4.498 10.501 4.100 1.00 0.00 O ATOM 839 OE2 GLU A 56 -6.009 9.874 2.587 1.00 0.00 O ATOM 0 H GLU A 56 -7.313 6.660 5.599 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.346 6.700 3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.342 7.870 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.184 8.279 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.038 8.463 4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.578 9.595 5.584 1.00 0.00 H new ATOM 846 N CYS A 57 -4.403 5.219 6.420 1.00 0.00 N ATOM 847 CA CYS A 57 -3.439 4.287 6.980 1.00 0.00 C ATOM 848 C CYS A 57 -3.439 3.021 6.121 1.00 0.00 C ATOM 849 O CYS A 57 -2.384 2.560 5.688 1.00 0.00 O ATOM 850 CB CYS A 57 -3.737 3.979 8.449 1.00 0.00 C ATOM 851 SG CYS A 57 -3.305 5.421 9.491 1.00 0.00 S ATOM 0 H CYS A 57 -5.109 5.549 7.078 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.446 4.735 6.965 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.792 3.735 8.571 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.169 3.106 8.769 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.392 5.968 9.948 1.00 0.00 H new ATOM 857 N VAL A 58 -4.635 2.496 5.898 1.00 0.00 N ATOM 858 CA VAL A 58 -4.787 1.293 5.098 1.00 0.00 C ATOM 859 C VAL A 58 -4.056 1.476 3.766 1.00 0.00 C ATOM 860 O VAL A 58 -3.547 0.512 3.196 1.00 0.00 O ATOM 861 CB VAL A 58 -6.271 0.963 4.926 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.465 -0.191 3.939 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.923 0.647 6.274 1.00 0.00 C ATOM 0 H VAL A 58 -5.508 2.882 6.258 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.335 0.439 5.602 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.764 1.843 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.529 -0.406 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.054 0.087 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.951 -1.077 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.977 0.416 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.425 -0.210 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.832 1.510 6.934 1.00 0.00 H new ATOM 873 N ILE A 59 -4.028 2.719 3.309 1.00 0.00 N ATOM 874 CA ILE A 59 -3.369 3.040 2.055 1.00 0.00 C ATOM 875 C ILE A 59 -1.862 3.156 2.292 1.00 0.00 C ATOM 876 O ILE A 59 -1.071 2.507 1.609 1.00 0.00 O ATOM 877 CB ILE A 59 -3.990 4.290 1.428 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.480 4.080 1.150 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.226 4.710 0.171 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.245 5.403 1.230 1.00 0.00 C ATOM 0 H ILE A 59 -4.451 3.516 3.785 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.518 2.240 1.330 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.908 5.109 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.611 3.640 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.892 3.374 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.688 5.601 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.190 4.927 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.255 3.902 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.301 5.225 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.132 5.829 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.847 6.099 0.491 1.00 0.00 H new ATOM 892 N ALA A 60 -1.509 3.988 3.261 1.00 0.00 N ATOM 893 CA ALA A 60 -0.111 4.197 3.596 1.00 0.00 C ATOM 894 C ALA A 60 0.560 2.843 3.835 1.00 0.00 C ATOM 895 O ALA A 60 1.591 2.542 3.236 1.00 0.00 O ATOM 896 CB ALA A 60 -0.009 5.120 4.812 1.00 0.00 C ATOM 0 H ALA A 60 -2.168 4.525 3.825 1.00 0.00 H new ATOM 0 HA ALA A 60 0.412 4.684 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.040 5.277 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.474 6.079 4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.521 4.663 5.659 1.00 0.00 H new ATOM 902 N LEU A 61 -0.053 2.061 4.712 1.00 0.00 N ATOM 903 CA LEU A 61 0.472 0.746 5.038 1.00 0.00 C ATOM 904 C LEU A 61 0.677 -0.050 3.748 1.00 0.00 C ATOM 905 O LEU A 61 1.799 -0.438 3.425 1.00 0.00 O ATOM 906 CB LEU A 61 -0.431 0.046 6.056 1.00 0.00 C ATOM 907 CG LEU A 61 0.212 -1.091 6.853 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.618 -0.706 7.320 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.682 -1.518 8.019 1.00 0.00 C ATOM 0 H LEU A 61 -0.909 2.313 5.207 1.00 0.00 H new ATOM 0 HA LEU A 61 1.447 0.833 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.799 0.793 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.299 -0.351 5.529 1.00 0.00 H new ATOM 0 HG LEU A 61 0.316 -1.953 6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.053 -1.531 7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.243 -0.490 6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.561 0.178 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.201 -2.327 8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.840 -0.670 8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.642 -1.861 7.634 1.00 0.00 H new ATOM 921 N HIS A 62 -0.424 -0.271 3.045 1.00 0.00 N ATOM 922 CA HIS A 62 -0.380 -1.014 1.797 1.00 0.00 C ATOM 923 C HIS A 62 0.703 -0.428 0.889 1.00 0.00 C ATOM 924 O HIS A 62 1.624 -1.133 0.479 1.00 0.00 O ATOM 925 CB HIS A 62 -1.757 -1.044 1.133 1.00 0.00 C ATOM 926 CG HIS A 62 -1.739 -1.529 -0.297 1.00 0.00 C ATOM 927 ND1 HIS A 62 -2.262 -2.752 -0.681 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.257 -0.943 -1.431 1.00 0.00 C ATOM 929 CE1 HIS A 62 -2.096 -2.885 -1.989 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.473 -1.764 -2.451 1.00 0.00 N ATOM 0 H HIS A 62 -1.353 0.052 3.316 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.115 -2.052 1.997 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.416 -1.687 1.716 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.184 -0.042 1.161 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.781 0.025 -1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.401 -3.733 -2.585 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.215 -1.585 -3.422 1.00 0.00 H new ATOM 938 N ASP A 63 0.557 0.858 0.602 1.00 0.00 N ATOM 939 CA ASP A 63 1.511 1.547 -0.250 1.00 0.00 C ATOM 940 C ASP A 63 2.929 1.100 0.113 1.00 0.00 C ATOM 941 O ASP A 63 3.697 0.692 -0.757 1.00 0.00 O ATOM 942 CB ASP A 63 1.429 3.062 -0.055 1.00 0.00 C ATOM 943 CG ASP A 63 1.866 3.894 -1.263 1.00 0.00 C ATOM 944 OD1 ASP A 63 3.076 4.199 -1.334 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.980 4.206 -2.088 1.00 0.00 O ATOM 0 H ASP A 63 -0.207 1.440 0.944 1.00 0.00 H new ATOM 0 HA ASP A 63 1.275 1.303 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.402 3.326 0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.047 3.337 0.800 1.00 0.00 H new ATOM 950 N CYS A 64 3.232 1.191 1.399 1.00 0.00 N ATOM 951 CA CYS A 64 4.544 0.800 1.888 1.00 0.00 C ATOM 952 C CYS A 64 4.772 -0.670 1.531 1.00 0.00 C ATOM 953 O CYS A 64 5.644 -0.989 0.725 1.00 0.00 O ATOM 954 CB CYS A 64 4.685 1.052 3.391 1.00 0.00 C ATOM 955 SG CYS A 64 5.583 2.620 3.682 1.00 0.00 S ATOM 0 H CYS A 64 2.592 1.530 2.118 1.00 0.00 H new ATOM 0 HA CYS A 64 5.310 1.411 1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.699 1.096 3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.220 0.225 3.858 1.00 0.00 H new ATOM 0 HG CYS A 64 6.782 2.532 3.187 1.00 0.00 H new ATOM 961 N ASN A 65 3.972 -1.527 2.150 1.00 0.00 N ATOM 962 CA ASN A 65 4.076 -2.955 1.908 1.00 0.00 C ATOM 963 C ASN A 65 3.443 -3.714 3.077 1.00 0.00 C ATOM 964 O ASN A 65 2.958 -4.831 2.906 1.00 0.00 O ATOM 965 CB ASN A 65 5.538 -3.391 1.798 1.00 0.00 C ATOM 966 CG ASN A 65 5.892 -3.766 0.357 1.00 0.00 C ATOM 967 OD1 ASN A 65 5.462 -3.140 -0.598 1.00 0.00 O ATOM 968 ND2 ASN A 65 6.697 -4.819 0.255 1.00 0.00 N ATOM 0 H ASN A 65 3.250 -1.259 2.818 1.00 0.00 H new ATOM 0 HA ASN A 65 3.563 -3.176 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.188 -2.585 2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.717 -4.243 2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.991 -5.149 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.020 -5.297 1.096 1.00 0.00 H new ATOM 975 N GLY A 66 3.469 -3.076 4.237 1.00 0.00 N ATOM 976 CA GLY A 66 2.905 -3.676 5.434 1.00 0.00 C ATOM 977 C GLY A 66 3.802 -3.428 6.648 1.00 0.00 C ATOM 978 O GLY A 66 4.057 -4.340 7.433 1.00 0.00 O ATOM 0 H GLY A 66 3.872 -2.149 4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.914 -3.262 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.780 -4.748 5.283 1.00 0.00 H new ATOM 982 N ASP A 67 4.256 -2.188 6.764 1.00 0.00 N ATOM 983 CA ASP A 67 5.120 -1.809 7.869 1.00 0.00 C ATOM 984 C ASP A 67 4.617 -0.498 8.477 1.00 0.00 C ATOM 985 O ASP A 67 4.708 0.557 7.850 1.00 0.00 O ATOM 986 CB ASP A 67 6.558 -1.588 7.394 1.00 0.00 C ATOM 987 CG ASP A 67 7.621 -2.373 8.165 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.397 -3.587 8.364 1.00 0.00 O ATOM 989 OD2 ASP A 67 8.633 -1.742 8.539 1.00 0.00 O ATOM 0 H ASP A 67 4.042 -1.434 6.111 1.00 0.00 H new ATOM 0 HA ASP A 67 5.102 -2.615 8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.622 -1.858 6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.789 -0.525 7.466 1.00 0.00 H new ATOM 994 N VAL A 68 4.097 -0.606 9.691 1.00 0.00 N ATOM 995 CA VAL A 68 3.579 0.557 10.390 1.00 0.00 C ATOM 996 C VAL A 68 4.644 1.656 10.401 1.00 0.00 C ATOM 997 O VAL A 68 4.330 2.831 10.220 1.00 0.00 O ATOM 998 CB VAL A 68 3.115 0.161 11.793 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.151 1.361 12.742 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.719 -0.464 11.752 1.00 0.00 C ATOM 0 H VAL A 68 4.023 -1.482 10.208 1.00 0.00 H new ATOM 0 HA VAL A 68 2.706 0.955 9.874 1.00 0.00 H new ATOM 0 HB VAL A 68 3.807 -0.589 12.176 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.816 1.052 13.732 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.170 1.744 12.806 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.493 2.143 12.364 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.413 -0.737 12.762 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.011 0.254 11.339 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.738 -1.356 11.125 1.00 0.00 H new ATOM 1010 N ASN A 69 5.882 1.234 10.615 1.00 0.00 N ATOM 1011 CA ASN A 69 6.994 2.168 10.652 1.00 0.00 C ATOM 1012 C ASN A 69 7.134 2.842 9.286 1.00 0.00 C ATOM 1013 O ASN A 69 6.996 4.059 9.173 1.00 0.00 O ATOM 1014 CB ASN A 69 8.308 1.447 10.960 1.00 0.00 C ATOM 1015 CG ASN A 69 8.104 0.366 12.024 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.879 -0.796 11.730 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.196 0.813 13.273 1.00 0.00 N ATOM 0 H ASN A 69 6.139 0.258 10.764 1.00 0.00 H new ATOM 0 HA ASN A 69 6.793 2.901 11.433 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.702 0.996 10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.050 2.167 11.306 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.076 0.169 14.055 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.387 1.799 13.449 1.00 0.00 H new ATOM 1024 N ARG A 70 7.407 2.021 8.282 1.00 0.00 N ATOM 1025 CA ARG A 70 7.567 2.523 6.927 1.00 0.00 C ATOM 1026 C ARG A 70 6.401 3.443 6.561 1.00 0.00 C ATOM 1027 O ARG A 70 6.609 4.538 6.039 1.00 0.00 O ATOM 1028 CB ARG A 70 7.638 1.374 5.919 1.00 0.00 C ATOM 1029 CG ARG A 70 8.838 0.469 6.202 1.00 0.00 C ATOM 1030 CD ARG A 70 10.061 0.913 5.397 1.00 0.00 C ATOM 1031 NE ARG A 70 11.251 0.139 5.816 1.00 0.00 N ATOM 1032 CZ ARG A 70 12.515 0.534 5.610 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.761 1.695 4.988 1.00 0.00 N ATOM 1034 NH2 ARG A 70 13.533 -0.233 6.024 1.00 0.00 N ATOM 0 H ARG A 70 7.521 1.012 8.380 1.00 0.00 H new ATOM 0 HA ARG A 70 8.501 3.083 6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.719 0.790 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.712 1.776 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.071 0.491 7.267 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.588 -0.562 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.878 0.767 4.332 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.238 1.978 5.547 1.00 0.00 H new ATOM 0 HE ARG A 70 11.100 -0.751 6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.986 2.278 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.723 1.996 4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.346 -1.118 6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.495 0.068 5.867 1.00 0.00 H new ATOM 1048 N ALA A 71 5.199 2.966 6.848 1.00 0.00 N ATOM 1049 CA ALA A 71 4.000 3.732 6.555 1.00 0.00 C ATOM 1050 C ALA A 71 4.116 5.117 7.195 1.00 0.00 C ATOM 1051 O ALA A 71 3.956 6.132 6.519 1.00 0.00 O ATOM 1052 CB ALA A 71 2.771 2.964 7.046 1.00 0.00 C ATOM 0 H ALA A 71 5.030 2.058 7.281 1.00 0.00 H new ATOM 0 HA ALA A 71 3.888 3.874 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.871 3.539 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.718 2.000 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.847 2.806 8.122 1.00 0.00 H new ATOM 1058 N ILE A 72 4.393 5.114 8.490 1.00 0.00 N ATOM 1059 CA ILE A 72 4.532 6.358 9.229 1.00 0.00 C ATOM 1060 C ILE A 72 5.430 7.315 8.442 1.00 0.00 C ATOM 1061 O ILE A 72 5.039 8.446 8.158 1.00 0.00 O ATOM 1062 CB ILE A 72 5.023 6.084 10.652 1.00 0.00 C ATOM 1063 CG1 ILE A 72 3.892 5.539 11.526 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.666 7.332 11.259 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.425 4.532 12.547 1.00 0.00 C ATOM 0 H ILE A 72 4.525 4.270 9.047 1.00 0.00 H new ATOM 0 HA ILE A 72 3.564 6.846 9.339 1.00 0.00 H new ATOM 0 HB ILE A 72 5.794 5.315 10.606 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.399 6.362 12.044 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.140 5.062 10.898 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.006 7.111 12.270 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.516 7.637 10.649 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.934 8.139 11.291 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.601 4.160 13.156 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.895 3.699 12.025 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.159 5.019 13.189 1.00 0.00 H new ATOM 1077 N ASN A 73 6.616 6.826 8.112 1.00 0.00 N ATOM 1078 CA ASN A 73 7.573 7.624 7.364 1.00 0.00 C ATOM 1079 C ASN A 73 6.861 8.294 6.187 1.00 0.00 C ATOM 1080 O ASN A 73 7.253 9.377 5.755 1.00 0.00 O ATOM 1081 CB ASN A 73 8.697 6.752 6.802 1.00 0.00 C ATOM 1082 CG ASN A 73 9.983 6.924 7.614 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.881 7.665 7.252 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.019 6.200 8.728 1.00 0.00 N ATOM 0 H ASN A 73 6.936 5.887 8.349 1.00 0.00 H new ATOM 0 HA ASN A 73 7.996 8.366 8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.392 5.706 6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.882 7.017 5.761 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.834 6.245 9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.231 5.599 8.972 1.00 0.00 H new ATOM 1091 N VAL A 74 5.828 7.622 5.701 1.00 0.00 N ATOM 1092 CA VAL A 74 5.058 8.139 4.583 1.00 0.00 C ATOM 1093 C VAL A 74 3.935 9.034 5.112 1.00 0.00 C ATOM 1094 O VAL A 74 3.790 10.176 4.680 1.00 0.00 O ATOM 1095 CB VAL A 74 4.545 6.983 3.721 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.762 7.504 2.515 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.696 6.078 3.278 1.00 0.00 C ATOM 0 H VAL A 74 5.506 6.724 6.061 1.00 0.00 H new ATOM 0 HA VAL A 74 5.687 8.753 3.939 1.00 0.00 H new ATOM 0 HB VAL A 74 3.865 6.387 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.409 6.662 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.909 8.088 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.410 8.134 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.305 5.265 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.411 6.658 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.193 5.666 4.156 1.00 0.00 H new ATOM 1107 N LEU A 75 3.169 8.480 6.041 1.00 0.00 N ATOM 1108 CA LEU A 75 2.063 9.214 6.633 1.00 0.00 C ATOM 1109 C LEU A 75 2.554 10.591 7.085 1.00 0.00 C ATOM 1110 O LEU A 75 1.986 11.612 6.702 1.00 0.00 O ATOM 1111 CB LEU A 75 1.416 8.395 7.752 1.00 0.00 C ATOM 1112 CG LEU A 75 0.511 7.245 7.304 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.512 6.114 8.333 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -0.903 7.745 7.003 1.00 0.00 C ATOM 0 H LEU A 75 3.292 7.532 6.398 1.00 0.00 H new ATOM 0 HA LEU A 75 1.278 9.381 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.207 7.985 8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.831 9.069 8.377 1.00 0.00 H new ATOM 0 HG LEU A 75 0.912 6.837 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.139 5.310 7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.526 5.733 8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.149 6.492 9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.525 6.908 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.328 8.195 7.900 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.864 8.489 6.207 1.00 0.00 H new ATOM 1126 N LEU A 76 3.605 10.574 7.892 1.00 0.00 N ATOM 1127 CA LEU A 76 4.178 11.808 8.400 1.00 0.00 C ATOM 1128 C LEU A 76 4.321 12.809 7.251 1.00 0.00 C ATOM 1129 O LEU A 76 3.758 13.902 7.301 1.00 0.00 O ATOM 1130 CB LEU A 76 5.489 11.527 9.137 1.00 0.00 C ATOM 1131 CG LEU A 76 5.358 10.865 10.510 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.708 10.330 10.992 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.727 11.824 11.522 1.00 0.00 C ATOM 0 H LEU A 76 4.074 9.725 8.206 1.00 0.00 H new ATOM 0 HA LEU A 76 3.515 12.260 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.108 10.889 8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.023 12.469 9.259 1.00 0.00 H new ATOM 0 HG LEU A 76 4.689 10.010 10.415 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.587 9.865 11.970 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.081 9.591 10.282 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.419 11.152 11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.645 11.329 12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.351 12.712 11.620 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.734 12.115 11.178 1.00 0.00 H new ATOM 1145 N GLU A 77 5.077 12.400 6.243 1.00 0.00 N ATOM 1146 CA GLU A 77 5.301 13.247 5.084 1.00 0.00 C ATOM 1147 C GLU A 77 4.942 12.496 3.800 1.00 0.00 C ATOM 1148 O GLU A 77 3.801 12.548 3.345 1.00 0.00 O ATOM 1149 CB GLU A 77 6.747 13.747 5.041 1.00 0.00 C ATOM 1150 CG GLU A 77 7.017 14.740 6.173 1.00 0.00 C ATOM 1151 CD GLU A 77 7.462 16.095 5.618 1.00 0.00 C ATOM 1152 OE1 GLU A 77 6.562 16.890 5.271 1.00 0.00 O ATOM 1153 OE2 GLU A 77 8.693 16.306 5.554 1.00 0.00 O ATOM 0 H GLU A 77 5.542 11.493 6.205 1.00 0.00 H new ATOM 0 HA GLU A 77 4.652 14.119 5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.430 12.902 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.943 14.223 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.116 14.867 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.787 14.343 6.834 1.00 0.00 H new ATOM 1160 N GLY A 78 5.938 11.815 3.253 1.00 0.00 N ATOM 1161 CA GLY A 78 5.742 11.055 2.030 1.00 0.00 C ATOM 1162 C GLY A 78 7.064 10.863 1.285 1.00 0.00 C ATOM 1163 O GLY A 78 7.678 11.833 0.843 1.00 0.00 O ATOM 0 H GLY A 78 6.883 11.774 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.310 10.083 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.030 11.572 1.387 1.00 0.00 H new ATOM 1167 N ASN A 79 7.464 9.605 1.169 1.00 0.00 N ATOM 1168 CA ASN A 79 8.702 9.274 0.485 1.00 0.00 C ATOM 1169 C ASN A 79 9.884 9.555 1.414 1.00 0.00 C ATOM 1170 O ASN A 79 9.907 10.572 2.107 1.00 0.00 O ATOM 1171 CB ASN A 79 8.880 10.124 -0.775 1.00 0.00 C ATOM 1172 CG ASN A 79 9.699 9.377 -1.830 1.00 0.00 C ATOM 1173 OD1 ASN A 79 9.173 8.687 -2.688 1.00 0.00 O ATOM 1174 ND2 ASN A 79 11.012 9.552 -1.718 1.00 0.00 N ATOM 0 H ASN A 79 6.952 8.803 1.537 1.00 0.00 H new ATOM 0 HA ASN A 79 8.662 8.221 0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.903 10.383 -1.184 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.377 11.060 -0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.645 9.095 -2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.386 10.143 -0.976 1.00 0.00 H new ATOM 1181 N PRO A 80 10.864 8.611 1.400 1.00 0.00 N ATOM 1182 CA PRO A 80 12.046 8.747 2.234 1.00 0.00 C ATOM 1183 C PRO A 80 13.002 9.797 1.663 1.00 0.00 C ATOM 1184 O PRO A 80 13.418 10.713 2.371 1.00 0.00 O ATOM 1185 CB PRO A 80 12.654 7.355 2.284 1.00 0.00 C ATOM 1186 CG PRO A 80 12.059 6.598 1.108 1.00 0.00 C ATOM 1187 CD PRO A 80 10.871 7.395 0.593 1.00 0.00 C ATOM 0 HA PRO A 80 11.814 9.102 3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.741 7.400 2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 80 12.419 6.860 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.802 6.470 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 80 11.745 5.601 1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.977 7.624 -0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.941 6.838 0.707 1.00 0.00 H new ATOM 1195 N ASP A 81 13.321 9.629 0.388 1.00 0.00 N ATOM 1196 CA ASP A 81 14.219 10.551 -0.286 1.00 0.00 C ATOM 1197 C ASP A 81 14.293 10.191 -1.771 1.00 0.00 C ATOM 1198 O ASP A 81 15.244 9.547 -2.211 1.00 0.00 O ATOM 1199 CB ASP A 81 15.633 10.464 0.292 1.00 0.00 C ATOM 1200 CG ASP A 81 16.677 11.327 -0.420 1.00 0.00 C ATOM 1201 OD1 ASP A 81 16.360 11.798 -1.533 1.00 0.00 O ATOM 1202 OD2 ASP A 81 17.769 11.495 0.166 1.00 0.00 O ATOM 0 H ASP A 81 12.974 8.868 -0.196 1.00 0.00 H new ATOM 0 HA ASP A 81 13.833 11.561 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.599 10.754 1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 81 15.959 9.425 0.259 1.00 0.00 H new ATOM 1207 N THR A 82 13.276 10.622 -2.503 1.00 0.00 N ATOM 1208 CA THR A 82 13.213 10.352 -3.929 1.00 0.00 C ATOM 1209 C THR A 82 14.517 10.774 -4.610 1.00 0.00 C ATOM 1210 O THR A 82 15.147 11.749 -4.202 1.00 0.00 O ATOM 1211 CB THR A 82 11.978 11.061 -4.490 1.00 0.00 C ATOM 1212 OG1 THR A 82 11.938 10.659 -5.857 1.00 0.00 O ATOM 1213 CG2 THR A 82 12.153 12.580 -4.554 1.00 0.00 C ATOM 0 H THR A 82 12.489 11.156 -2.135 1.00 0.00 H new ATOM 0 HA THR A 82 13.111 9.285 -4.125 1.00 0.00 H new ATOM 0 HB THR A 82 11.111 10.821 -3.874 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.166 11.072 -6.297 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.248 13.034 -4.959 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.336 12.968 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.999 12.822 -5.197 1.00 0.00 H new ATOM 1221 N HIS A 83 14.884 10.018 -5.634 1.00 0.00 N ATOM 1222 CA HIS A 83 16.101 10.301 -6.375 1.00 0.00 C ATOM 1223 C HIS A 83 16.096 11.761 -6.832 1.00 0.00 C ATOM 1224 O HIS A 83 16.975 12.536 -6.457 1.00 0.00 O ATOM 1225 CB HIS A 83 16.274 9.317 -7.534 1.00 0.00 C ATOM 1226 CG HIS A 83 17.669 9.284 -8.109 1.00 0.00 C ATOM 1227 ND1 HIS A 83 18.178 10.298 -8.901 1.00 0.00 N ATOM 1228 CD2 HIS A 83 18.657 8.350 -7.998 1.00 0.00 C ATOM 1229 CE1 HIS A 83 19.416 9.978 -9.246 1.00 0.00 C ATOM 1230 NE2 HIS A 83 19.711 8.770 -8.686 1.00 0.00 N ATOM 0 H HIS A 83 14.360 9.209 -5.968 1.00 0.00 H new ATOM 0 HA HIS A 83 16.966 10.163 -5.726 1.00 0.00 H new ATOM 0 HB2 HIS A 83 16.010 8.317 -7.190 1.00 0.00 H new ATOM 0 HB3 HIS A 83 15.572 9.577 -8.326 1.00 0.00 H new ATOM 0 HD2 HIS A 83 18.592 7.425 -7.444 1.00 0.00 H new ATOM 0 HE1 HIS A 83 20.076 10.570 -9.863 1.00 0.00 H new ATOM 0 HE2 HIS A 83 20.596 8.272 -8.780 1.00 0.00 H new ATOM 1238 N SER A 84 15.097 12.092 -7.636 1.00 0.00 N ATOM 1239 CA SER A 84 14.965 13.445 -8.149 1.00 0.00 C ATOM 1240 C SER A 84 15.012 14.449 -6.995 1.00 0.00 C ATOM 1241 O SER A 84 14.843 14.075 -5.836 1.00 0.00 O ATOM 1242 CB SER A 84 13.668 13.610 -8.944 1.00 0.00 C ATOM 1243 OG SER A 84 12.521 13.609 -8.099 1.00 0.00 O ATOM 0 H SER A 84 14.371 11.446 -7.945 1.00 0.00 H new ATOM 0 HA SER A 84 15.799 13.637 -8.824 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.703 14.543 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 84 13.583 12.803 -9.671 1.00 0.00 H new ATOM 0 HG SER A 84 11.713 13.718 -8.643 1.00 0.00 H new ATOM 1249 N TRP A 85 15.243 15.704 -7.354 1.00 0.00 N ATOM 1250 CA TRP A 85 15.314 16.764 -6.363 1.00 0.00 C ATOM 1251 C TRP A 85 14.144 17.719 -6.607 1.00 0.00 C ATOM 1252 O TRP A 85 14.180 18.526 -7.535 1.00 0.00 O ATOM 1253 CB TRP A 85 16.674 17.462 -6.404 1.00 0.00 C ATOM 1254 CG TRP A 85 17.487 17.318 -5.115 1.00 0.00 C ATOM 1255 CD1 TRP A 85 18.630 16.643 -4.932 1.00 0.00 C ATOM 1256 CD2 TRP A 85 17.170 17.893 -3.830 1.00 0.00 C ATOM 1257 NE1 TRP A 85 19.071 16.740 -3.628 1.00 0.00 N ATOM 1258 CE2 TRP A 85 18.155 17.524 -2.936 1.00 0.00 C ATOM 1259 CE3 TRP A 85 16.086 18.697 -3.435 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 18.155 17.914 -1.592 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 16.101 19.078 -2.088 1.00 0.00 C ATOM 1262 CH2 TRP A 85 17.085 18.716 -1.176 1.00 0.00 C ATOM 0 H TRP A 85 15.383 16.010 -8.317 1.00 0.00 H new ATOM 0 HA TRP A 85 15.226 16.357 -5.356 1.00 0.00 H new ATOM 0 HB2 TRP A 85 17.253 17.058 -7.234 1.00 0.00 H new ATOM 0 HB3 TRP A 85 16.521 18.522 -6.608 1.00 0.00 H new ATOM 0 HD1 TRP A 85 19.142 16.092 -5.707 1.00 0.00 H new ATOM 0 HE1 TRP A 85 19.914 16.315 -3.243 1.00 0.00 H new ATOM 0 HE3 TRP A 85 15.304 18.997 -4.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 18.938 17.613 -0.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 15.291 19.697 -1.733 1.00 0.00 H new ATOM 0 HH2 TRP A 85 17.025 19.052 -0.151 1.00 0.00 H new ATOM 1273 N GLU A 86 13.134 17.597 -5.759 1.00 0.00 N ATOM 1274 CA GLU A 86 11.956 18.439 -5.871 1.00 0.00 C ATOM 1275 C GLU A 86 12.070 19.640 -4.930 1.00 0.00 C ATOM 1276 O GLU A 86 12.167 19.474 -3.715 1.00 0.00 O ATOM 1277 CB GLU A 86 10.682 17.640 -5.589 1.00 0.00 C ATOM 1278 CG GLU A 86 9.436 18.505 -5.794 1.00 0.00 C ATOM 1279 CD GLU A 86 8.854 18.305 -7.195 1.00 0.00 C ATOM 1280 OE1 GLU A 86 9.437 18.882 -8.138 1.00 0.00 O ATOM 1281 OE2 GLU A 86 7.840 17.580 -7.290 1.00 0.00 O ATOM 0 H GLU A 86 13.107 16.927 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 86 11.894 18.809 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.639 16.772 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.703 17.263 -4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.686 18.251 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.690 19.555 -5.648 1.00 0.00 H new ATOM 1288 N MET A 87 12.054 20.823 -5.527 1.00 0.00 N ATOM 1289 CA MET A 87 12.155 22.051 -4.757 1.00 0.00 C ATOM 1290 C MET A 87 10.859 22.861 -4.845 1.00 0.00 C ATOM 1291 O MET A 87 10.634 23.574 -5.822 1.00 0.00 O ATOM 1292 CB MET A 87 13.319 22.891 -5.285 1.00 0.00 C ATOM 1293 CG MET A 87 14.003 23.655 -4.150 1.00 0.00 C ATOM 1294 SD MET A 87 14.241 25.361 -4.620 1.00 0.00 S ATOM 1295 CE MET A 87 15.930 25.595 -4.092 1.00 0.00 C ATOM 0 H MET A 87 11.973 20.957 -6.535 1.00 0.00 H new ATOM 0 HA MET A 87 12.329 21.790 -3.713 1.00 0.00 H new ATOM 0 HB2 MET A 87 14.043 22.245 -5.781 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.954 23.594 -6.034 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.397 23.599 -3.246 1.00 0.00 H new ATOM 0 HG3 MET A 87 14.964 23.195 -3.918 1.00 0.00 H new ATOM 0 HE1 MET A 87 16.242 26.616 -4.313 1.00 0.00 H new ATOM 0 HE2 MET A 87 16.004 25.417 -3.019 1.00 0.00 H new ATOM 0 HE3 MET A 87 16.577 24.895 -4.621 1.00 0.00 H new ATOM 1305 N VAL A 88 10.042 22.724 -3.811 1.00 0.00 N ATOM 1306 CA VAL A 88 8.776 23.434 -3.760 1.00 0.00 C ATOM 1307 C VAL A 88 8.733 24.301 -2.500 1.00 0.00 C ATOM 1308 O VAL A 88 9.259 23.914 -1.458 1.00 0.00 O ATOM 1309 CB VAL A 88 7.615 22.441 -3.842 1.00 0.00 C ATOM 1310 CG1 VAL A 88 7.508 21.615 -2.559 1.00 0.00 C ATOM 1311 CG2 VAL A 88 6.298 23.160 -4.142 1.00 0.00 C ATOM 0 H VAL A 88 10.232 22.132 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 88 8.677 24.100 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 88 7.818 21.756 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.675 20.917 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.433 21.059 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.340 22.279 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.489 22.431 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.087 23.879 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.378 23.683 -5.095 1.00 0.00 H new ATOM 1321 N GLY A 89 8.100 25.457 -2.636 1.00 0.00 N ATOM 1322 CA GLY A 89 7.982 26.382 -1.522 1.00 0.00 C ATOM 1323 C GLY A 89 6.961 27.480 -1.826 1.00 0.00 C ATOM 1324 O GLY A 89 7.250 28.411 -2.576 1.00 0.00 O ATOM 0 H GLY A 89 7.663 25.774 -3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.682 25.840 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.953 26.831 -1.313 1.00 0.00 H new ATOM 1328 N LYS A 90 5.787 27.334 -1.229 1.00 0.00 N ATOM 1329 CA LYS A 90 4.722 28.302 -1.427 1.00 0.00 C ATOM 1330 C LYS A 90 4.317 28.314 -2.902 1.00 0.00 C ATOM 1331 O LYS A 90 4.921 27.623 -3.721 1.00 0.00 O ATOM 1332 CB LYS A 90 5.138 29.674 -0.893 1.00 0.00 C ATOM 1333 CG LYS A 90 4.983 29.741 0.628 1.00 0.00 C ATOM 1334 CD LYS A 90 6.207 29.150 1.331 1.00 0.00 C ATOM 1335 CE LYS A 90 6.146 29.399 2.839 1.00 0.00 C ATOM 1336 NZ LYS A 90 6.504 28.169 3.582 1.00 0.00 N ATOM 0 H LYS A 90 5.550 26.560 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 90 3.839 28.018 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.174 29.875 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.529 30.449 -1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.846 30.777 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.088 29.197 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.260 28.079 1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.115 29.593 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.828 30.205 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.144 29.722 3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.458 28.355 4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.837 27.409 3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.469 27.878 3.327 1.00 0.00 H new ATOM 1350 N LYS A 91 3.296 29.106 -3.196 1.00 0.00 N ATOM 1351 CA LYS A 91 2.803 29.216 -4.558 1.00 0.00 C ATOM 1352 C LYS A 91 3.211 30.573 -5.135 1.00 0.00 C ATOM 1353 O LYS A 91 3.257 31.569 -4.415 1.00 0.00 O ATOM 1354 CB LYS A 91 1.296 28.956 -4.606 1.00 0.00 C ATOM 1355 CG LYS A 91 0.520 30.108 -3.966 1.00 0.00 C ATOM 1356 CD LYS A 91 -0.398 29.600 -2.853 1.00 0.00 C ATOM 1357 CE LYS A 91 -1.757 30.301 -2.900 1.00 0.00 C ATOM 1358 NZ LYS A 91 -2.216 30.635 -1.533 1.00 0.00 N ATOM 0 H LYS A 91 2.797 29.677 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 91 3.255 28.451 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.978 28.829 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.067 28.026 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.218 30.840 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.072 30.619 -4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.536 28.524 -2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.070 29.772 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.683 31.210 -3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.488 29.657 -3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.140 31.110 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.305 29.763 -0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.526 31.267 -1.080 1.00 0.00 H new ATOM 1372 N LYS A 92 3.496 30.569 -6.429 1.00 0.00 N ATOM 1373 CA LYS A 92 3.898 31.787 -7.111 1.00 0.00 C ATOM 1374 C LYS A 92 2.655 32.503 -7.644 1.00 0.00 C ATOM 1375 O LYS A 92 2.063 32.074 -8.633 1.00 0.00 O ATOM 1376 CB LYS A 92 4.939 31.480 -8.189 1.00 0.00 C ATOM 1377 CG LYS A 92 6.290 31.128 -7.563 1.00 0.00 C ATOM 1378 CD LYS A 92 6.726 29.716 -7.956 1.00 0.00 C ATOM 1379 CE LYS A 92 6.523 28.737 -6.798 1.00 0.00 C ATOM 1380 NZ LYS A 92 7.649 27.779 -6.725 1.00 0.00 N ATOM 0 H LYS A 92 3.456 29.741 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 92 4.386 32.469 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.594 30.651 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.052 32.342 -8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.043 31.848 -7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.222 31.202 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.155 29.383 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.776 29.724 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.444 29.286 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.586 28.196 -6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.495 27.122 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.707 27.243 -7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.538 28.298 -6.576 1.00 0.00 H new ATOM 1394 N GLY A 93 2.295 33.581 -6.963 1.00 0.00 N ATOM 1395 CA GLY A 93 1.132 34.360 -7.355 1.00 0.00 C ATOM 1396 C GLY A 93 1.550 35.703 -7.958 1.00 0.00 C ATOM 1397 O GLY A 93 2.207 36.507 -7.297 1.00 0.00 O ATOM 0 H GLY A 93 2.788 33.934 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.542 33.800 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.494 34.529 -6.488 1.00 0.00 H new ATOM 1401 N VAL A 94 1.153 35.905 -9.205 1.00 0.00 N ATOM 1402 CA VAL A 94 1.478 37.137 -9.904 1.00 0.00 C ATOM 1403 C VAL A 94 0.237 38.030 -9.958 1.00 0.00 C ATOM 1404 O VAL A 94 -0.869 37.549 -10.198 1.00 0.00 O ATOM 1405 CB VAL A 94 2.045 36.818 -11.289 1.00 0.00 C ATOM 1406 CG1 VAL A 94 0.957 36.273 -12.216 1.00 0.00 C ATOM 1407 CG2 VAL A 94 2.721 38.047 -11.900 1.00 0.00 C ATOM 0 H VAL A 94 0.609 35.236 -9.750 1.00 0.00 H new ATOM 0 HA VAL A 94 2.252 37.687 -9.369 1.00 0.00 H new ATOM 0 HB VAL A 94 2.802 36.043 -11.170 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.387 36.055 -13.193 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.541 35.360 -11.791 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.167 37.016 -12.325 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.116 37.794 -12.884 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.993 38.852 -11.997 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.537 38.372 -11.255 1.00 0.00 H new ATOM 1417 N SER A 95 0.462 39.316 -9.730 1.00 0.00 N ATOM 1418 CA SER A 95 -0.624 40.281 -9.750 1.00 0.00 C ATOM 1419 C SER A 95 -0.071 41.686 -9.996 1.00 0.00 C ATOM 1420 O SER A 95 1.133 41.912 -9.882 1.00 0.00 O ATOM 1421 CB SER A 95 -1.417 40.244 -8.442 1.00 0.00 C ATOM 1422 OG SER A 95 -2.577 41.070 -8.497 1.00 0.00 O ATOM 0 H SER A 95 1.381 39.712 -9.530 1.00 0.00 H new ATOM 0 HA SER A 95 -1.302 40.017 -10.562 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.713 39.217 -8.227 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.778 40.570 -7.621 1.00 0.00 H new ATOM 0 HG SER A 95 -3.057 41.018 -7.644 1.00 0.00 H new ATOM 1428 N GLY A 96 -0.977 42.594 -10.328 1.00 0.00 N ATOM 1429 CA GLY A 96 -0.594 43.971 -10.592 1.00 0.00 C ATOM 1430 C GLY A 96 -0.113 44.660 -9.313 1.00 0.00 C ATOM 1431 O GLY A 96 0.454 44.016 -8.432 1.00 0.00 O ATOM 0 H GLY A 96 -1.975 42.403 -10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.197 43.995 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.443 44.516 -11.006 1.00 0.00 H new ATOM 1435 N GLN A 97 -0.356 45.961 -9.253 1.00 0.00 N ATOM 1436 CA GLN A 97 0.046 46.745 -8.098 1.00 0.00 C ATOM 1437 C GLN A 97 -1.043 46.704 -7.024 1.00 0.00 C ATOM 1438 O GLN A 97 -2.225 46.583 -7.339 1.00 0.00 O ATOM 1439 CB GLN A 97 0.368 48.186 -8.498 1.00 0.00 C ATOM 1440 CG GLN A 97 1.879 48.426 -8.515 1.00 0.00 C ATOM 1441 CD GLN A 97 2.223 49.801 -7.937 1.00 0.00 C ATOM 1442 OE1 GLN A 97 1.903 50.836 -8.498 1.00 0.00 O ATOM 1443 NE2 GLN A 97 2.891 49.753 -6.788 1.00 0.00 N ATOM 0 H GLN A 97 -0.826 46.492 -9.986 1.00 0.00 H new ATOM 0 HA GLN A 97 0.954 46.307 -7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.048 48.395 -9.483 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.105 48.876 -7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.381 47.649 -7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.251 48.354 -9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.127 48.852 -6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.167 50.617 -6.322 1.00 0.00 H new ATOM 1452 N LYS A 98 -0.604 46.807 -5.778 1.00 0.00 N ATOM 1453 CA LYS A 98 -1.527 46.783 -4.656 1.00 0.00 C ATOM 1454 C LYS A 98 -2.183 45.404 -4.570 1.00 0.00 C ATOM 1455 O LYS A 98 -3.336 45.235 -4.965 1.00 0.00 O ATOM 1456 CB LYS A 98 -2.528 47.935 -4.761 1.00 0.00 C ATOM 1457 CG LYS A 98 -2.293 48.968 -3.657 1.00 0.00 C ATOM 1458 CD LYS A 98 -3.408 50.016 -3.640 1.00 0.00 C ATOM 1459 CE LYS A 98 -4.345 49.801 -2.449 1.00 0.00 C ATOM 1460 NZ LYS A 98 -4.737 51.099 -1.857 1.00 0.00 N ATOM 0 H LYS A 98 0.378 46.907 -5.521 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.992 46.941 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.437 48.413 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.544 47.546 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.245 48.467 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.331 49.457 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.973 51.014 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.976 49.963 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.234 49.258 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.851 49.186 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.373 50.935 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.887 51.603 -1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.227 51.673 -2.573 1.00 0.00 H new ATOM 1474 N SER A 99 -1.421 44.452 -4.051 1.00 0.00 N ATOM 1475 CA SER A 99 -1.915 43.093 -3.908 1.00 0.00 C ATOM 1476 C SER A 99 -2.820 42.991 -2.679 1.00 0.00 C ATOM 1477 O SER A 99 -2.829 43.885 -1.835 1.00 0.00 O ATOM 1478 CB SER A 99 -0.759 42.096 -3.800 1.00 0.00 C ATOM 1479 OG SER A 99 -0.142 41.856 -5.062 1.00 0.00 O ATOM 0 H SER A 99 -0.465 44.595 -3.724 1.00 0.00 H new ATOM 0 HA SER A 99 -2.493 42.844 -4.798 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.016 42.477 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.128 41.155 -3.392 1.00 0.00 H new ATOM 0 HG SER A 99 0.592 41.216 -4.951 1.00 0.00 H new ATOM 1485 N GLY A 100 -3.559 41.894 -2.618 1.00 0.00 N ATOM 1486 CA GLY A 100 -4.466 41.663 -1.506 1.00 0.00 C ATOM 1487 C GLY A 100 -4.531 40.177 -1.150 1.00 0.00 C ATOM 1488 O GLY A 100 -4.231 39.322 -1.982 1.00 0.00 O ATOM 0 H GLY A 100 -3.549 41.155 -3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.136 42.234 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.462 42.023 -1.764 1.00 0.00 H new ATOM 1492 N PRO A 101 -4.936 39.906 0.120 1.00 0.00 N ATOM 1493 CA PRO A 101 -5.044 38.538 0.596 1.00 0.00 C ATOM 1494 C PRO A 101 -6.284 37.853 0.018 1.00 0.00 C ATOM 1495 O PRO A 101 -7.387 38.392 0.094 1.00 0.00 O ATOM 1496 CB PRO A 101 -5.079 38.650 2.111 1.00 0.00 C ATOM 1497 CG PRO A 101 -5.457 40.091 2.414 1.00 0.00 C ATOM 1498 CD PRO A 101 -5.299 40.893 1.133 1.00 0.00 C ATOM 0 HA PRO A 101 -4.210 37.914 0.276 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.805 37.958 2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.110 38.401 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.483 40.148 2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.819 40.496 3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.224 41.407 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.528 41.656 1.236 1.00 0.00 H new ATOM 1506 N SER A 102 -6.062 36.675 -0.547 1.00 0.00 N ATOM 1507 CA SER A 102 -7.148 35.911 -1.137 1.00 0.00 C ATOM 1508 C SER A 102 -7.253 34.543 -0.460 1.00 0.00 C ATOM 1509 O SER A 102 -6.528 33.614 -0.813 1.00 0.00 O ATOM 1510 CB SER A 102 -6.947 35.744 -2.644 1.00 0.00 C ATOM 1511 OG SER A 102 -5.821 34.923 -2.945 1.00 0.00 O ATOM 0 H SER A 102 -5.146 36.231 -0.609 1.00 0.00 H new ATOM 0 HA SER A 102 -8.077 36.459 -0.980 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.843 35.305 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.814 36.724 -3.103 1.00 0.00 H new ATOM 0 HG SER A 102 -5.797 34.161 -2.329 1.00 0.00 H new ATOM 1517 N SER A 103 -8.162 34.463 0.501 1.00 0.00 N ATOM 1518 CA SER A 103 -8.371 33.224 1.230 1.00 0.00 C ATOM 1519 C SER A 103 -9.865 32.896 1.287 1.00 0.00 C ATOM 1520 O SER A 103 -10.606 33.494 2.065 1.00 0.00 O ATOM 1521 CB SER A 103 -7.794 33.313 2.644 1.00 0.00 C ATOM 1522 OG SER A 103 -6.431 32.898 2.691 1.00 0.00 O ATOM 0 H SER A 103 -8.761 35.236 0.791 1.00 0.00 H new ATOM 0 HA SER A 103 -7.849 32.425 0.703 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.873 34.339 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.386 32.692 3.317 1.00 0.00 H new ATOM 0 HG SER A 103 -6.098 32.971 3.610 1.00 0.00 H new ATOM 1528 N GLY A 104 -10.262 31.947 0.452 1.00 0.00 N ATOM 1529 CA GLY A 104 -11.653 31.532 0.397 1.00 0.00 C ATOM 1530 C GLY A 104 -11.767 30.022 0.182 1.00 0.00 C ATOM 1531 O GLY A 104 -12.731 29.548 -0.417 1.00 0.00 O ATOM 0 H GLY A 104 -9.644 31.454 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.156 31.810 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.161 32.057 -0.412 1.00 0.00 H new TER 1535 GLY A 104