USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 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 14 SER OG : rot -151:sc= 1.28 USER MOD Set 1.2: A 91 HIS :FLIP no HE2:sc= -4.52! C(o=-7.2!,f=-3.2!) 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 24:sc= 0.0325 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 60:sc= 0.316 USER MOD Single : A 12 HIS : no HE2:sc= -1.76! C(o=-1.8!,f=-4!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0309 X(o=-0.031,f=0.35) USER MOD Single : A 54 CYS SG : rot -9:sc= -2.91 USER MOD Single : A 65 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-5.4!) USER MOD Single : A 67 ASN : amide:sc= -1.78 K(o=-1.8,f=-3.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -17:sc= 1.16 USER MOD Single : A 72 GLN : amide:sc= -0.0205 K(o=-0.02,f=-1.4) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 78 GLN : amide:sc= -0.876 K(o=-0.88,f=-5.2!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 30:sc= 0.074 USER MOD Single : A 103 SER OG : rot 16:sc= 0.76 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.114 -5.823 -2.460 1.00 0.00 N ATOM 2 CA GLY A 1 -14.223 -7.238 -2.161 1.00 0.00 C ATOM 3 C GLY A 1 -13.660 -7.588 -0.798 1.00 0.00 C ATOM 4 O GLY A 1 -12.452 -7.502 -0.577 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.513 -5.636 -3.402 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.638 -5.276 -1.747 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.113 -5.541 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.271 -7.536 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.697 -7.809 -2.926 1.00 0.00 H new ATOM 8 N SER A 2 -14.537 -7.981 0.120 1.00 0.00 N ATOM 9 CA SER A 2 -14.121 -8.339 1.471 1.00 0.00 C ATOM 10 C SER A 2 -14.050 -9.854 1.634 1.00 0.00 C ATOM 11 O SER A 2 -12.998 -10.406 1.954 1.00 0.00 O ATOM 12 CB SER A 2 -15.089 -7.749 2.499 1.00 0.00 C ATOM 13 OG SER A 2 -15.011 -6.334 2.520 1.00 0.00 O ATOM 0 H SER A 2 -15.540 -8.060 -0.047 1.00 0.00 H new ATOM 0 HA SER A 2 -13.127 -7.926 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.108 -8.057 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.859 -8.144 3.489 1.00 0.00 H new ATOM 0 HG SER A 2 -15.640 -5.982 3.184 1.00 0.00 H new ATOM 19 N SER A 3 -15.178 -10.520 1.411 1.00 0.00 N ATOM 20 CA SER A 3 -15.246 -11.972 1.536 1.00 0.00 C ATOM 21 C SER A 3 -16.440 -12.528 0.767 1.00 0.00 C ATOM 22 O SER A 3 -17.592 -12.277 1.119 1.00 0.00 O ATOM 23 CB SER A 3 -15.342 -12.373 3.009 1.00 0.00 C ATOM 24 OG SER A 3 -15.414 -13.782 3.150 1.00 0.00 O ATOM 0 H SER A 3 -16.057 -10.078 1.143 1.00 0.00 H new ATOM 0 HA SER A 3 -14.335 -12.392 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.475 -11.994 3.550 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.223 -11.914 3.458 1.00 0.00 H new ATOM 0 HG SER A 3 -15.473 -14.013 4.101 1.00 0.00 H new ATOM 30 N GLY A 4 -16.155 -13.286 -0.288 1.00 0.00 N ATOM 31 CA GLY A 4 -17.215 -13.867 -1.092 1.00 0.00 C ATOM 32 C GLY A 4 -16.991 -15.340 -1.370 1.00 0.00 C ATOM 33 O GLY A 4 -16.025 -15.930 -0.886 1.00 0.00 O ATOM 0 H GLY A 4 -15.210 -13.508 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.168 -13.738 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.286 -13.329 -2.037 1.00 0.00 H new ATOM 37 N SER A 5 -17.886 -15.936 -2.152 1.00 0.00 N ATOM 38 CA SER A 5 -17.784 -17.351 -2.489 1.00 0.00 C ATOM 39 C SER A 5 -16.527 -17.625 -3.309 1.00 0.00 C ATOM 40 O SER A 5 -16.237 -16.919 -4.275 1.00 0.00 O ATOM 41 CB SER A 5 -19.022 -17.802 -3.266 1.00 0.00 C ATOM 42 OG SER A 5 -19.072 -17.191 -4.545 1.00 0.00 O ATOM 0 H SER A 5 -18.689 -15.461 -2.564 1.00 0.00 H new ATOM 0 HA SER A 5 -17.721 -17.917 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.010 -18.886 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.921 -17.549 -2.703 1.00 0.00 H new ATOM 0 HG SER A 5 -18.168 -16.929 -4.818 1.00 0.00 H new ATOM 48 N SER A 6 -15.785 -18.655 -2.916 1.00 0.00 N ATOM 49 CA SER A 6 -14.556 -19.021 -3.612 1.00 0.00 C ATOM 50 C SER A 6 -14.772 -19.038 -5.122 1.00 0.00 C ATOM 51 O SER A 6 -15.486 -19.890 -5.649 1.00 0.00 O ATOM 52 CB SER A 6 -14.067 -20.391 -3.139 1.00 0.00 C ATOM 53 OG SER A 6 -13.895 -20.414 -1.733 1.00 0.00 O ATOM 0 H SER A 6 -16.013 -19.251 -2.120 1.00 0.00 H new ATOM 0 HA SER A 6 -13.798 -18.273 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.784 -21.158 -3.433 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.123 -20.632 -3.628 1.00 0.00 H new ATOM 0 HG SER A 6 -13.584 -21.301 -1.456 1.00 0.00 H new ATOM 59 N GLY A 7 -14.147 -18.090 -5.813 1.00 0.00 N ATOM 60 CA GLY A 7 -14.282 -18.013 -7.256 1.00 0.00 C ATOM 61 C GLY A 7 -13.040 -18.492 -7.981 1.00 0.00 C ATOM 62 O GLY A 7 -12.900 -19.681 -8.264 1.00 0.00 O ATOM 0 H GLY A 7 -13.550 -17.374 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.136 -18.613 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.492 -16.983 -7.544 1.00 0.00 H new ATOM 66 N GLN A 8 -12.138 -17.564 -8.284 1.00 0.00 N ATOM 67 CA GLN A 8 -10.903 -17.898 -8.983 1.00 0.00 C ATOM 68 C GLN A 8 -9.690 -17.651 -8.093 1.00 0.00 C ATOM 69 O GLN A 8 -9.757 -16.880 -7.136 1.00 0.00 O ATOM 70 CB GLN A 8 -10.783 -17.080 -10.270 1.00 0.00 C ATOM 71 CG GLN A 8 -10.003 -17.784 -11.368 1.00 0.00 C ATOM 72 CD GLN A 8 -10.256 -17.186 -12.738 1.00 0.00 C ATOM 73 OE1 GLN A 8 -10.205 -15.969 -12.916 1.00 0.00 O ATOM 74 NE2 GLN A 8 -10.531 -18.042 -13.716 1.00 0.00 N ATOM 0 H GLN A 8 -12.239 -16.575 -8.056 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.934 -18.958 -9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.783 -16.848 -10.638 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.298 -16.130 -10.043 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.938 -17.730 -11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.273 -18.840 -11.381 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.563 -19.043 -13.523 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.710 -17.698 -14.659 1.00 0.00 H new ATOM 83 N ALA A 9 -8.582 -18.310 -8.415 1.00 0.00 N ATOM 84 CA ALA A 9 -7.353 -18.161 -7.646 1.00 0.00 C ATOM 85 C ALA A 9 -7.072 -16.694 -7.340 1.00 0.00 C ATOM 86 O ALA A 9 -6.717 -15.921 -8.230 1.00 0.00 O ATOM 87 CB ALA A 9 -6.182 -18.779 -8.395 1.00 0.00 C ATOM 0 H ALA A 9 -8.510 -18.953 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.481 -18.685 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.271 -18.660 -7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.373 -19.840 -8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.062 -18.281 -9.357 1.00 0.00 H new ATOM 93 N SER A 10 -7.234 -16.316 -6.076 1.00 0.00 N ATOM 94 CA SER A 10 -7.002 -14.940 -5.653 1.00 0.00 C ATOM 95 C SER A 10 -5.806 -14.855 -4.710 1.00 0.00 C ATOM 96 O SER A 10 -5.324 -15.870 -4.207 1.00 0.00 O ATOM 97 CB SER A 10 -8.248 -14.378 -4.967 1.00 0.00 C ATOM 98 OG SER A 10 -9.276 -14.119 -5.908 1.00 0.00 O ATOM 0 H SER A 10 -7.525 -16.944 -5.327 1.00 0.00 H new ATOM 0 HA SER A 10 -6.785 -14.345 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.605 -15.086 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.993 -13.459 -4.440 1.00 0.00 H new ATOM 0 HG SER A 10 -9.513 -14.950 -6.371 1.00 0.00 H new ATOM 104 N GLY A 11 -5.331 -13.636 -4.474 1.00 0.00 N ATOM 105 CA GLY A 11 -4.196 -13.440 -3.592 1.00 0.00 C ATOM 106 C GLY A 11 -4.175 -12.056 -2.972 1.00 0.00 C ATOM 107 O GLY A 11 -4.411 -11.901 -1.774 1.00 0.00 O ATOM 0 H GLY A 11 -5.712 -12.781 -4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.221 -14.189 -2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.274 -13.598 -4.151 1.00 0.00 H new ATOM 111 N HIS A 12 -3.890 -11.048 -3.790 1.00 0.00 N ATOM 112 CA HIS A 12 -3.838 -9.670 -3.314 1.00 0.00 C ATOM 113 C HIS A 12 -4.886 -9.428 -2.232 1.00 0.00 C ATOM 114 O HIS A 12 -6.039 -9.838 -2.367 1.00 0.00 O ATOM 115 CB HIS A 12 -4.054 -8.699 -4.475 1.00 0.00 C ATOM 116 CG HIS A 12 -3.457 -9.167 -5.767 1.00 0.00 C ATOM 117 ND1 HIS A 12 -4.065 -10.096 -6.584 1.00 0.00 N ATOM 118 CD2 HIS A 12 -2.300 -8.827 -6.382 1.00 0.00 C ATOM 119 CE1 HIS A 12 -3.307 -10.309 -7.645 1.00 0.00 C ATOM 120 NE2 HIS A 12 -2.230 -9.551 -7.547 1.00 0.00 N ATOM 0 H HIS A 12 -3.692 -11.159 -4.784 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.851 -9.498 -2.884 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.124 -8.544 -4.614 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.623 -7.732 -4.214 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -4.960 -10.548 -6.398 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.568 -8.118 -6.023 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -3.530 -10.988 -8.455 1.00 0.00 H new ATOM 129 N PHE A 13 -4.477 -8.761 -1.158 1.00 0.00 N ATOM 130 CA PHE A 13 -5.380 -8.467 -0.051 1.00 0.00 C ATOM 131 C PHE A 13 -5.242 -7.014 0.392 1.00 0.00 C ATOM 132 O PHE A 13 -4.309 -6.317 -0.009 1.00 0.00 O ATOM 133 CB PHE A 13 -5.097 -9.400 1.128 1.00 0.00 C ATOM 134 CG PHE A 13 -3.718 -9.240 1.701 1.00 0.00 C ATOM 135 CD1 PHE A 13 -3.427 -8.191 2.558 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.713 -10.139 1.384 1.00 0.00 C ATOM 137 CE1 PHE A 13 -2.159 -8.041 3.086 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.442 -9.995 1.909 1.00 0.00 C ATOM 139 CZ PHE A 13 -1.165 -8.945 2.763 1.00 0.00 C ATOM 0 H PHE A 13 -3.526 -8.414 -1.031 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.401 -8.628 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.831 -9.215 1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.230 -10.432 0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.200 -7.482 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.925 -10.963 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.945 -7.217 3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.667 -10.702 1.652 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.174 -8.831 3.177 1.00 0.00 H new ATOM 149 N SER A 14 -6.179 -6.562 1.220 1.00 0.00 N ATOM 150 CA SER A 14 -6.165 -5.190 1.714 1.00 0.00 C ATOM 151 C SER A 14 -5.867 -5.155 3.210 1.00 0.00 C ATOM 152 O SER A 14 -5.894 -6.184 3.885 1.00 0.00 O ATOM 153 CB SER A 14 -7.507 -4.512 1.435 1.00 0.00 C ATOM 154 OG SER A 14 -7.881 -4.661 0.076 1.00 0.00 O ATOM 0 H SER A 14 -6.957 -7.126 1.563 1.00 0.00 H new ATOM 0 HA SER A 14 -5.377 -4.649 1.191 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.276 -4.943 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.441 -3.453 1.683 1.00 0.00 H new ATOM 0 HG SER A 14 -8.437 -3.901 -0.195 1.00 0.00 H new ATOM 160 N VAL A 15 -5.581 -3.962 3.722 1.00 0.00 N ATOM 161 CA VAL A 15 -5.278 -3.790 5.138 1.00 0.00 C ATOM 162 C VAL A 15 -6.176 -2.731 5.768 1.00 0.00 C ATOM 163 O VAL A 15 -6.209 -1.585 5.319 1.00 0.00 O ATOM 164 CB VAL A 15 -3.806 -3.393 5.353 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.525 -3.162 6.830 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.879 -4.457 4.785 1.00 0.00 C ATOM 0 H VAL A 15 -5.553 -3.100 3.177 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.461 -4.751 5.619 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.618 -2.460 4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.480 -2.882 6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.165 -2.361 7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.729 -4.077 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.843 -4.160 4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.066 -5.407 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.063 -4.567 3.716 1.00 0.00 H new ATOM 176 N GLU A 16 -6.903 -3.122 6.809 1.00 0.00 N ATOM 177 CA GLU A 16 -7.802 -2.205 7.500 1.00 0.00 C ATOM 178 C GLU A 16 -7.202 -1.752 8.828 1.00 0.00 C ATOM 179 O GLU A 16 -6.936 -2.567 9.712 1.00 0.00 O ATOM 180 CB GLU A 16 -9.159 -2.871 7.742 1.00 0.00 C ATOM 181 CG GLU A 16 -9.860 -3.305 6.466 1.00 0.00 C ATOM 182 CD GLU A 16 -11.365 -3.394 6.628 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.840 -4.385 7.220 1.00 0.00 O ATOM 184 OE2 GLU A 16 -12.066 -2.472 6.163 1.00 0.00 O ATOM 0 H GLU A 16 -6.887 -4.067 7.193 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.943 -1.329 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.018 -3.741 8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.803 -2.178 8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.625 -2.599 5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.474 -4.276 6.156 1.00 0.00 H new ATOM 191 N LEU A 17 -6.991 -0.447 8.960 1.00 0.00 N ATOM 192 CA LEU A 17 -6.421 0.116 10.179 1.00 0.00 C ATOM 193 C LEU A 17 -7.124 1.416 10.558 1.00 0.00 C ATOM 194 O LEU A 17 -7.544 2.183 9.691 1.00 0.00 O ATOM 195 CB LEU A 17 -4.923 0.367 9.997 1.00 0.00 C ATOM 196 CG LEU A 17 -4.097 -0.825 9.513 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.670 -0.397 9.210 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.113 -1.941 10.548 1.00 0.00 C ATOM 0 H LEU A 17 -7.206 0.241 8.238 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.567 -0.603 10.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.795 1.184 9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.513 0.705 10.949 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.544 -1.203 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.097 -1.258 8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.677 0.367 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.212 0.007 10.113 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.520 -2.781 10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.691 -1.575 11.484 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.139 -2.267 10.716 1.00 0.00 H new ATOM 210 N VAL A 18 -7.245 1.660 11.859 1.00 0.00 N ATOM 211 CA VAL A 18 -7.893 2.869 12.354 1.00 0.00 C ATOM 212 C VAL A 18 -6.866 3.875 12.860 1.00 0.00 C ATOM 213 O VAL A 18 -6.152 3.615 13.828 1.00 0.00 O ATOM 214 CB VAL A 18 -8.886 2.550 13.488 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.504 3.829 14.032 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.963 1.593 13.000 1.00 0.00 C ATOM 0 H VAL A 18 -6.903 1.036 12.590 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.438 3.302 11.515 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.342 2.065 14.298 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.203 3.584 14.832 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.718 4.476 14.422 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.035 4.345 13.232 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.655 1.379 13.814 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.506 2.048 12.172 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.500 0.665 12.664 1.00 0.00 H new ATOM 226 N ARG A 19 -6.798 5.026 12.199 1.00 0.00 N ATOM 227 CA ARG A 19 -5.858 6.072 12.581 1.00 0.00 C ATOM 228 C ARG A 19 -5.666 6.104 14.094 1.00 0.00 C ATOM 229 O ARG A 19 -6.522 6.594 14.829 1.00 0.00 O ATOM 230 CB ARG A 19 -6.350 7.435 12.090 1.00 0.00 C ATOM 231 CG ARG A 19 -5.504 8.600 12.576 1.00 0.00 C ATOM 232 CD ARG A 19 -5.719 9.839 11.721 1.00 0.00 C ATOM 233 NE ARG A 19 -4.928 10.973 12.192 1.00 0.00 N ATOM 234 CZ ARG A 19 -5.117 12.222 11.782 1.00 0.00 C ATOM 235 NH1 ARG A 19 -6.066 12.497 10.898 1.00 0.00 N ATOM 236 NH2 ARG A 19 -4.356 13.200 12.257 1.00 0.00 N ATOM 0 H ARG A 19 -7.383 5.257 11.396 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.898 5.850 12.114 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.362 7.436 11.000 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.378 7.581 12.421 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.753 8.824 13.613 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.451 8.320 12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.454 9.617 10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.776 10.106 11.729 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.190 10.796 12.873 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.653 11.748 10.531 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.209 13.457 10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.625 12.993 12.938 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.502 14.159 11.941 1.00 0.00 H new ATOM 250 N GLY A 20 -4.534 5.577 14.554 1.00 0.00 N ATOM 251 CA GLY A 20 -4.251 5.555 15.977 1.00 0.00 C ATOM 252 C GLY A 20 -4.145 6.946 16.569 1.00 0.00 C ATOM 253 O GLY A 20 -5.020 7.787 16.356 1.00 0.00 O ATOM 0 H GLY A 20 -3.809 5.165 13.966 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.037 5.003 16.492 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.319 5.018 16.151 1.00 0.00 H new ATOM 257 N TYR A 21 -3.074 7.190 17.315 1.00 0.00 N ATOM 258 CA TYR A 21 -2.859 8.488 17.944 1.00 0.00 C ATOM 259 C TYR A 21 -2.411 9.523 16.917 1.00 0.00 C ATOM 260 O TYR A 21 -1.219 9.779 16.756 1.00 0.00 O ATOM 261 CB TYR A 21 -1.817 8.373 19.057 1.00 0.00 C ATOM 262 CG TYR A 21 -1.910 9.474 20.089 1.00 0.00 C ATOM 263 CD1 TYR A 21 -1.910 10.811 19.711 1.00 0.00 C ATOM 264 CD2 TYR A 21 -1.998 9.176 21.444 1.00 0.00 C ATOM 265 CE1 TYR A 21 -1.994 11.819 20.651 1.00 0.00 C ATOM 266 CE2 TYR A 21 -2.083 10.178 22.391 1.00 0.00 C ATOM 267 CZ TYR A 21 -2.081 11.498 21.990 1.00 0.00 C ATOM 268 OH TYR A 21 -2.166 12.500 22.930 1.00 0.00 O ATOM 0 H TYR A 21 -2.340 6.506 17.499 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.805 8.816 18.375 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.933 7.410 19.554 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.821 8.385 18.614 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.843 11.066 18.664 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.000 8.144 21.762 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.992 12.853 20.340 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.151 9.929 23.440 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.222 12.105 23.825 1.00 0.00 H new ATOM 278 N ALA A 22 -3.378 10.116 16.223 1.00 0.00 N ATOM 279 CA ALA A 22 -3.085 11.126 15.214 1.00 0.00 C ATOM 280 C ALA A 22 -2.104 10.594 14.175 1.00 0.00 C ATOM 281 O ALA A 22 -1.165 11.286 13.782 1.00 0.00 O ATOM 282 CB ALA A 22 -2.533 12.383 15.869 1.00 0.00 C ATOM 0 H ALA A 22 -4.371 9.914 16.342 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.015 11.375 14.704 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.319 13.128 15.103 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.268 12.782 16.568 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.616 12.141 16.406 1.00 0.00 H new ATOM 288 N GLY A 23 -2.327 9.360 13.733 1.00 0.00 N ATOM 289 CA GLY A 23 -1.453 8.757 12.744 1.00 0.00 C ATOM 290 C GLY A 23 -1.483 7.242 12.791 1.00 0.00 C ATOM 291 O GLY A 23 -1.946 6.653 13.768 1.00 0.00 O ATOM 0 H GLY A 23 -3.097 8.767 14.042 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.748 9.093 11.750 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.432 9.102 12.907 1.00 0.00 H new ATOM 295 N PHE A 24 -0.988 6.609 11.733 1.00 0.00 N ATOM 296 CA PHE A 24 -0.962 5.152 11.656 1.00 0.00 C ATOM 297 C PHE A 24 0.405 4.611 12.064 1.00 0.00 C ATOM 298 O PHE A 24 0.508 3.541 12.662 1.00 0.00 O ATOM 299 CB PHE A 24 -1.305 4.689 10.239 1.00 0.00 C ATOM 300 CG PHE A 24 -2.751 4.879 9.880 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.702 3.947 10.263 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.159 5.989 9.158 1.00 0.00 C ATOM 303 CE1 PHE A 24 -5.033 4.119 9.935 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.489 6.166 8.826 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.427 5.229 9.214 1.00 0.00 C ATOM 0 H PHE A 24 -0.599 7.081 10.917 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.709 4.762 12.348 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.687 5.236 9.527 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.049 3.634 10.138 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.399 3.076 10.825 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.430 6.724 8.851 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.765 3.386 10.242 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.795 7.036 8.264 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.466 5.364 8.954 1.00 0.00 H new ATOM 315 N GLY A 25 1.454 5.359 11.734 1.00 0.00 N ATOM 316 CA GLY A 25 2.801 4.938 12.073 1.00 0.00 C ATOM 317 C GLY A 25 3.397 4.011 11.032 1.00 0.00 C ATOM 318 O GLY A 25 4.251 3.180 11.345 1.00 0.00 O ATOM 0 H GLY A 25 1.395 6.248 11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.437 5.817 12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.789 4.434 13.039 1.00 0.00 H new ATOM 322 N LEU A 26 2.947 4.151 9.790 1.00 0.00 N ATOM 323 CA LEU A 26 3.441 3.318 8.699 1.00 0.00 C ATOM 324 C LEU A 26 4.292 4.136 7.732 1.00 0.00 C ATOM 325 O LEU A 26 3.860 5.176 7.234 1.00 0.00 O ATOM 326 CB LEU A 26 2.271 2.678 7.949 1.00 0.00 C ATOM 327 CG LEU A 26 2.639 1.627 6.902 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.179 0.373 7.572 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.434 1.293 6.035 1.00 0.00 C ATOM 0 H LEU A 26 2.241 4.833 9.513 1.00 0.00 H new ATOM 0 HA LEU A 26 4.063 2.532 9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.606 2.217 8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.705 3.469 7.457 1.00 0.00 H new ATOM 0 HG LEU A 26 3.420 2.038 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.436 -0.364 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.069 0.623 8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.420 -0.040 8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.715 0.543 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.632 0.902 6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.091 2.194 5.526 1.00 0.00 H new ATOM 341 N THR A 27 5.504 3.657 7.469 1.00 0.00 N ATOM 342 CA THR A 27 6.416 4.342 6.562 1.00 0.00 C ATOM 343 C THR A 27 6.857 3.424 5.428 1.00 0.00 C ATOM 344 O THR A 27 6.981 2.212 5.610 1.00 0.00 O ATOM 345 CB THR A 27 7.663 4.859 7.303 1.00 0.00 C ATOM 346 OG1 THR A 27 7.274 5.539 8.502 1.00 0.00 O ATOM 347 CG2 THR A 27 8.467 5.800 6.418 1.00 0.00 C ATOM 0 H THR A 27 5.877 2.797 7.872 1.00 0.00 H new ATOM 0 HA THR A 27 5.871 5.190 6.148 1.00 0.00 H new ATOM 0 HB THR A 27 8.288 4.003 7.558 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.073 5.863 8.968 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.343 6.152 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.787 5.271 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.848 6.652 6.136 1.00 0.00 H new ATOM 355 N LEU A 28 7.093 4.007 4.258 1.00 0.00 N ATOM 356 CA LEU A 28 7.521 3.240 3.093 1.00 0.00 C ATOM 357 C LEU A 28 8.972 3.553 2.739 1.00 0.00 C ATOM 358 O LEU A 28 9.466 4.646 3.010 1.00 0.00 O ATOM 359 CB LEU A 28 6.616 3.542 1.898 1.00 0.00 C ATOM 360 CG LEU A 28 5.386 2.646 1.745 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.316 3.345 0.920 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.769 1.318 1.109 1.00 0.00 C ATOM 0 H LEU A 28 6.995 5.008 4.091 1.00 0.00 H new ATOM 0 HA LEU A 28 7.446 2.181 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.280 4.576 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.212 3.466 0.988 1.00 0.00 H new ATOM 0 HG LEU A 28 4.980 2.447 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.448 2.693 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.020 4.270 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.711 3.574 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.881 0.694 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.201 1.497 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.500 0.810 1.738 1.00 0.00 H new ATOM 374 N GLY A 29 9.649 2.584 2.129 1.00 0.00 N ATOM 375 CA GLY A 29 11.035 2.777 1.745 1.00 0.00 C ATOM 376 C GLY A 29 11.300 2.375 0.307 1.00 0.00 C ATOM 377 O GLY A 29 11.488 1.197 0.009 1.00 0.00 O ATOM 0 H GLY A 29 9.262 1.670 1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.304 3.824 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.676 2.194 2.406 1.00 0.00 H new ATOM 381 N GLY A 30 11.313 3.359 -0.587 1.00 0.00 N ATOM 382 CA GLY A 30 11.555 3.082 -1.991 1.00 0.00 C ATOM 383 C GLY A 30 10.654 3.888 -2.905 1.00 0.00 C ATOM 384 O GLY A 30 10.296 5.022 -2.593 1.00 0.00 O ATOM 0 H GLY A 30 11.160 4.343 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.596 3.301 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.402 2.019 -2.180 1.00 0.00 H new ATOM 388 N GLY A 31 10.287 3.301 -4.041 1.00 0.00 N ATOM 389 CA GLY A 31 9.427 3.987 -4.987 1.00 0.00 C ATOM 390 C GLY A 31 10.211 4.698 -6.072 1.00 0.00 C ATOM 391 O GLY A 31 11.408 4.464 -6.238 1.00 0.00 O ATOM 0 H GLY A 31 10.570 2.362 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.749 3.267 -5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.811 4.711 -4.454 1.00 0.00 H new ATOM 395 N ARG A 32 9.534 5.569 -6.815 1.00 0.00 N ATOM 396 CA ARG A 32 10.174 6.314 -7.892 1.00 0.00 C ATOM 397 C ARG A 32 10.968 7.494 -7.340 1.00 0.00 C ATOM 398 O ARG A 32 10.407 8.394 -6.713 1.00 0.00 O ATOM 399 CB ARG A 32 9.126 6.812 -8.889 1.00 0.00 C ATOM 400 CG ARG A 32 9.723 7.411 -10.152 1.00 0.00 C ATOM 401 CD ARG A 32 8.654 7.682 -11.199 1.00 0.00 C ATOM 402 NE ARG A 32 8.181 6.452 -11.828 1.00 0.00 N ATOM 403 CZ ARG A 32 7.059 6.373 -12.535 1.00 0.00 C ATOM 404 NH1 ARG A 32 6.299 7.447 -12.702 1.00 0.00 N ATOM 405 NH2 ARG A 32 6.695 5.218 -13.078 1.00 0.00 N ATOM 0 H ARG A 32 8.543 5.775 -6.690 1.00 0.00 H new ATOM 0 HA ARG A 32 10.863 5.643 -8.405 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.475 5.982 -9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.501 7.561 -8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.238 8.340 -9.907 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.470 6.731 -10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.814 8.198 -10.734 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.055 8.349 -11.962 1.00 0.00 H new ATOM 0 HE ARG A 32 8.743 5.608 -11.719 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.575 8.337 -12.287 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.438 7.383 -13.245 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.277 4.390 -12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.833 5.159 -13.621 1.00 0.00 H new ATOM 419 N ASP A 33 12.275 7.484 -7.576 1.00 0.00 N ATOM 420 CA ASP A 33 13.146 8.554 -7.103 1.00 0.00 C ATOM 421 C ASP A 33 13.742 9.327 -8.275 1.00 0.00 C ATOM 422 O ASP A 33 13.775 8.837 -9.404 1.00 0.00 O ATOM 423 CB ASP A 33 14.265 7.981 -6.231 1.00 0.00 C ATOM 424 CG ASP A 33 13.753 6.976 -5.219 1.00 0.00 C ATOM 425 OD1 ASP A 33 12.615 7.148 -4.736 1.00 0.00 O ATOM 426 OD2 ASP A 33 14.491 6.018 -4.908 1.00 0.00 O ATOM 0 H ASP A 33 12.755 6.747 -8.092 1.00 0.00 H new ATOM 0 HA ASP A 33 12.546 9.241 -6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.010 7.504 -6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.767 8.795 -5.708 1.00 0.00 H new ATOM 431 N VAL A 34 14.212 10.539 -7.999 1.00 0.00 N ATOM 432 CA VAL A 34 14.808 11.381 -9.030 1.00 0.00 C ATOM 433 C VAL A 34 15.898 10.633 -9.789 1.00 0.00 C ATOM 434 O VAL A 34 15.977 10.706 -11.015 1.00 0.00 O ATOM 435 CB VAL A 34 15.406 12.667 -8.429 1.00 0.00 C ATOM 436 CG1 VAL A 34 16.371 12.331 -7.302 1.00 0.00 C ATOM 437 CG2 VAL A 34 16.097 13.487 -9.507 1.00 0.00 C ATOM 0 H VAL A 34 14.192 10.960 -7.070 1.00 0.00 H new ATOM 0 HA VAL A 34 14.008 11.649 -9.720 1.00 0.00 H new ATOM 0 HB VAL A 34 14.595 13.265 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 34 16.784 13.252 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 34 15.841 11.788 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 34 17.181 11.712 -7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.514 14.392 -9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.899 12.899 -9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.375 13.759 -10.277 1.00 0.00 H new ATOM 447 N ALA A 35 16.737 9.913 -9.051 1.00 0.00 N ATOM 448 CA ALA A 35 17.821 9.148 -9.654 1.00 0.00 C ATOM 449 C ALA A 35 17.831 7.712 -9.143 1.00 0.00 C ATOM 450 O ALA A 35 18.879 7.071 -9.084 1.00 0.00 O ATOM 451 CB ALA A 35 19.158 9.819 -9.376 1.00 0.00 C ATOM 0 H ALA A 35 16.686 9.844 -8.035 1.00 0.00 H new ATOM 0 HA ALA A 35 17.657 9.120 -10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.959 9.237 -9.832 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.155 10.824 -9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.319 9.877 -8.300 1.00 0.00 H new ATOM 457 N GLY A 36 16.656 7.212 -8.774 1.00 0.00 N ATOM 458 CA GLY A 36 16.552 5.854 -8.271 1.00 0.00 C ATOM 459 C GLY A 36 15.210 5.222 -8.582 1.00 0.00 C ATOM 460 O GLY A 36 14.183 5.902 -8.593 1.00 0.00 O ATOM 0 H GLY A 36 15.774 7.723 -8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.346 5.247 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.708 5.856 -7.192 1.00 0.00 H new ATOM 464 N ASP A 37 15.217 3.918 -8.837 1.00 0.00 N ATOM 465 CA ASP A 37 13.990 3.194 -9.151 1.00 0.00 C ATOM 466 C ASP A 37 13.885 1.919 -8.320 1.00 0.00 C ATOM 467 O ASP A 37 14.640 0.968 -8.523 1.00 0.00 O ATOM 468 CB ASP A 37 13.941 2.852 -10.641 1.00 0.00 C ATOM 469 CG ASP A 37 13.348 3.972 -11.473 1.00 0.00 C ATOM 470 OD1 ASP A 37 14.111 4.866 -11.894 1.00 0.00 O ATOM 471 OD2 ASP A 37 12.120 3.956 -11.701 1.00 0.00 O ATOM 0 H ASP A 37 16.058 3.341 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 37 13.145 3.837 -8.906 1.00 0.00 H new ATOM 0 HB2 ASP A 37 14.949 2.635 -10.994 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.352 1.946 -10.784 1.00 0.00 H new ATOM 476 N THR A 38 12.943 1.906 -7.382 1.00 0.00 N ATOM 477 CA THR A 38 12.740 0.750 -6.519 1.00 0.00 C ATOM 478 C THR A 38 11.270 0.591 -6.148 1.00 0.00 C ATOM 479 O THR A 38 10.532 1.567 -6.007 1.00 0.00 O ATOM 480 CB THR A 38 13.573 0.859 -5.228 1.00 0.00 C ATOM 481 OG1 THR A 38 13.182 2.021 -4.489 1.00 0.00 O ATOM 482 CG2 THR A 38 15.059 0.931 -5.548 1.00 0.00 C ATOM 0 H THR A 38 12.309 2.684 -7.201 1.00 0.00 H new ATOM 0 HA THR A 38 13.067 -0.124 -7.082 1.00 0.00 H new ATOM 0 HB THR A 38 13.389 -0.031 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.715 2.082 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.627 1.008 -4.621 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.360 0.031 -6.085 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.256 1.806 -6.168 1.00 0.00 H new ATOM 490 N PRO A 39 10.831 -0.666 -5.987 1.00 0.00 N ATOM 491 CA PRO A 39 9.445 -0.981 -5.629 1.00 0.00 C ATOM 492 C PRO A 39 9.109 -0.576 -4.198 1.00 0.00 C ATOM 493 O PRO A 39 9.809 -0.948 -3.256 1.00 0.00 O ATOM 494 CB PRO A 39 9.376 -2.503 -5.784 1.00 0.00 C ATOM 495 CG PRO A 39 10.778 -2.967 -5.590 1.00 0.00 C ATOM 496 CD PRO A 39 11.656 -1.877 -6.139 1.00 0.00 C ATOM 0 HA PRO A 39 8.731 -0.442 -6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.707 -2.946 -5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.998 -2.784 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.988 -3.143 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.953 -3.908 -6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.592 -1.798 -5.586 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.916 -2.058 -7.182 1.00 0.00 H new ATOM 504 N LEU A 40 8.033 0.189 -4.042 1.00 0.00 N ATOM 505 CA LEU A 40 7.603 0.645 -2.725 1.00 0.00 C ATOM 506 C LEU A 40 7.327 -0.538 -1.802 1.00 0.00 C ATOM 507 O LEU A 40 6.531 -1.419 -2.127 1.00 0.00 O ATOM 508 CB LEU A 40 6.350 1.513 -2.848 1.00 0.00 C ATOM 509 CG LEU A 40 6.587 2.994 -3.148 1.00 0.00 C ATOM 510 CD1 LEU A 40 5.310 3.647 -3.653 1.00 0.00 C ATOM 511 CD2 LEU A 40 7.102 3.713 -1.910 1.00 0.00 C ATOM 0 H LEU A 40 7.443 0.506 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 40 8.408 1.239 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.721 1.099 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.787 1.437 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 40 7.343 3.070 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.498 4.700 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.983 3.149 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.532 3.560 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.265 4.765 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.369 3.627 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.042 3.262 -1.592 1.00 0.00 H new ATOM 523 N ALA A 41 7.988 -0.550 -0.650 1.00 0.00 N ATOM 524 CA ALA A 41 7.811 -1.622 0.322 1.00 0.00 C ATOM 525 C ALA A 41 7.952 -1.100 1.748 1.00 0.00 C ATOM 526 O ALA A 41 8.794 -0.246 2.026 1.00 0.00 O ATOM 527 CB ALA A 41 8.812 -2.739 0.065 1.00 0.00 C ATOM 0 H ALA A 41 8.652 0.171 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 41 6.803 -2.019 0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.668 -3.532 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.661 -3.140 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.825 -2.346 0.150 1.00 0.00 H new ATOM 533 N VAL A 42 7.123 -1.619 2.648 1.00 0.00 N ATOM 534 CA VAL A 42 7.156 -1.205 4.045 1.00 0.00 C ATOM 535 C VAL A 42 8.590 -1.048 4.538 1.00 0.00 C ATOM 536 O VAL A 42 9.424 -1.933 4.347 1.00 0.00 O ATOM 537 CB VAL A 42 6.423 -2.216 4.947 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.494 -1.782 6.404 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.977 -2.377 4.501 1.00 0.00 C ATOM 0 H VAL A 42 6.420 -2.327 2.434 1.00 0.00 H new ATOM 0 HA VAL A 42 6.648 -0.242 4.102 1.00 0.00 H new ATOM 0 HB VAL A 42 6.918 -3.183 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.971 -2.508 7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.537 -1.722 6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.025 -0.804 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.474 -3.095 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.468 -1.415 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.951 -2.737 3.472 1.00 0.00 H new ATOM 549 N ARG A 43 8.870 0.085 5.174 1.00 0.00 N ATOM 550 CA ARG A 43 10.204 0.359 5.695 1.00 0.00 C ATOM 551 C ARG A 43 10.241 0.195 7.211 1.00 0.00 C ATOM 552 O ARG A 43 10.877 -0.721 7.732 1.00 0.00 O ATOM 553 CB ARG A 43 10.643 1.774 5.314 1.00 0.00 C ATOM 554 CG ARG A 43 12.150 1.971 5.334 1.00 0.00 C ATOM 555 CD ARG A 43 12.633 2.429 6.702 1.00 0.00 C ATOM 556 NE ARG A 43 14.091 2.470 6.782 1.00 0.00 N ATOM 557 CZ ARG A 43 14.759 3.238 7.635 1.00 0.00 C ATOM 558 NH1 ARG A 43 14.103 4.025 8.476 1.00 0.00 N ATOM 559 NH2 ARG A 43 16.085 3.220 7.647 1.00 0.00 N ATOM 0 H ARG A 43 8.191 0.828 5.341 1.00 0.00 H new ATOM 0 HA ARG A 43 10.893 -0.360 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.268 2.005 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.183 2.485 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.644 1.037 5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.432 2.708 4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.230 3.419 6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.247 1.756 7.467 1.00 0.00 H new ATOM 0 HE ARG A 43 14.625 1.876 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.083 4.042 8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.618 4.614 9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.593 2.616 7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.597 3.810 8.303 1.00 0.00 H new ATOM 573 N GLY A 44 9.554 1.089 7.915 1.00 0.00 N ATOM 574 CA GLY A 44 9.521 1.026 9.365 1.00 0.00 C ATOM 575 C GLY A 44 8.123 0.796 9.904 1.00 0.00 C ATOM 576 O GLY A 44 7.135 1.156 9.262 1.00 0.00 O ATOM 0 H GLY A 44 9.019 1.856 7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.175 0.223 9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.917 1.955 9.775 1.00 0.00 H new ATOM 580 N LEU A 45 8.038 0.194 11.085 1.00 0.00 N ATOM 581 CA LEU A 45 6.750 -0.086 11.710 1.00 0.00 C ATOM 582 C LEU A 45 6.676 0.531 13.103 1.00 0.00 C ATOM 583 O LEU A 45 7.285 0.029 14.049 1.00 0.00 O ATOM 584 CB LEU A 45 6.519 -1.596 11.795 1.00 0.00 C ATOM 585 CG LEU A 45 5.923 -2.255 10.550 1.00 0.00 C ATOM 586 CD1 LEU A 45 6.045 -3.768 10.638 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.468 -1.844 10.375 1.00 0.00 C ATOM 0 H LEU A 45 8.846 -0.110 11.629 1.00 0.00 H new ATOM 0 HA LEU A 45 5.970 0.360 11.093 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.472 -2.077 12.016 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.858 -1.795 12.639 1.00 0.00 H new ATOM 0 HG LEU A 45 6.483 -1.916 9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.616 -4.220 9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.097 -4.044 10.715 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.510 -4.126 11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.060 -2.322 9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.895 -2.154 11.249 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.406 -0.761 10.266 1.00 0.00 H new ATOM 599 N LEU A 46 5.923 1.619 13.223 1.00 0.00 N ATOM 600 CA LEU A 46 5.767 2.303 14.502 1.00 0.00 C ATOM 601 C LEU A 46 5.521 1.304 15.628 1.00 0.00 C ATOM 602 O LEU A 46 4.452 0.698 15.713 1.00 0.00 O ATOM 603 CB LEU A 46 4.611 3.302 14.430 1.00 0.00 C ATOM 604 CG LEU A 46 4.644 4.442 15.448 1.00 0.00 C ATOM 605 CD1 LEU A 46 5.752 5.428 15.109 1.00 0.00 C ATOM 606 CD2 LEU A 46 3.298 5.149 15.503 1.00 0.00 C ATOM 0 H LEU A 46 5.411 2.046 12.451 1.00 0.00 H new ATOM 0 HA LEU A 46 6.691 2.840 14.714 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.594 3.735 13.430 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.677 2.755 14.557 1.00 0.00 H new ATOM 0 HG LEU A 46 4.849 4.019 16.431 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.760 6.233 15.844 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.713 4.914 15.122 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.577 5.845 14.117 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.341 5.957 16.233 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.062 5.559 14.521 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.525 4.438 15.794 1.00 0.00 H new ATOM 618 N LYS A 47 6.516 1.137 16.492 1.00 0.00 N ATOM 619 CA LYS A 47 6.408 0.215 17.616 1.00 0.00 C ATOM 620 C LYS A 47 5.037 0.319 18.276 1.00 0.00 C ATOM 621 O LYS A 47 4.434 1.392 18.309 1.00 0.00 O ATOM 622 CB LYS A 47 7.504 0.501 18.645 1.00 0.00 C ATOM 623 CG LYS A 47 7.832 -0.688 19.531 1.00 0.00 C ATOM 624 CD LYS A 47 6.973 -0.702 20.785 1.00 0.00 C ATOM 625 CE LYS A 47 6.953 -2.079 21.431 1.00 0.00 C ATOM 626 NZ LYS A 47 8.124 -2.288 22.326 1.00 0.00 N ATOM 0 H LYS A 47 7.408 1.629 16.435 1.00 0.00 H new ATOM 0 HA LYS A 47 6.532 -0.798 17.234 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.408 0.815 18.123 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.192 1.336 19.273 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.679 -1.612 18.973 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.885 -0.655 19.810 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.355 0.030 21.497 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.956 -0.402 20.534 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.033 -2.199 22.003 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.948 -2.844 20.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.074 -3.238 22.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.002 -2.199 21.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.115 -1.573 23.082 1.00 0.00 H new ATOM 640 N ASP A 48 4.551 -0.800 18.801 1.00 0.00 N ATOM 641 CA ASP A 48 3.252 -0.834 19.462 1.00 0.00 C ATOM 642 C ASP A 48 2.235 0.015 18.706 1.00 0.00 C ATOM 643 O ASP A 48 1.387 0.670 19.309 1.00 0.00 O ATOM 644 CB ASP A 48 3.377 -0.338 20.904 1.00 0.00 C ATOM 645 CG ASP A 48 3.612 1.157 20.983 1.00 0.00 C ATOM 646 OD1 ASP A 48 4.745 1.596 20.692 1.00 0.00 O ATOM 647 OD2 ASP A 48 2.664 1.890 21.338 1.00 0.00 O ATOM 0 H ASP A 48 5.038 -1.696 18.782 1.00 0.00 H new ATOM 0 HA ASP A 48 2.903 -1.866 19.469 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.469 -0.590 21.452 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.200 -0.859 21.394 1.00 0.00 H new ATOM 652 N GLY A 49 2.327 -0.001 17.379 1.00 0.00 N ATOM 653 CA GLY A 49 1.410 0.771 16.562 1.00 0.00 C ATOM 654 C GLY A 49 0.311 -0.081 15.960 1.00 0.00 C ATOM 655 O GLY A 49 0.249 -1.292 16.171 1.00 0.00 O ATOM 0 H GLY A 49 3.021 -0.535 16.856 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.963 1.559 17.168 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.965 1.261 15.762 1.00 0.00 H new ATOM 659 N PRO A 50 -0.583 0.557 15.191 1.00 0.00 N ATOM 660 CA PRO A 50 -1.703 -0.132 14.541 1.00 0.00 C ATOM 661 C PRO A 50 -1.243 -1.051 13.414 1.00 0.00 C ATOM 662 O PRO A 50 -1.747 -2.163 13.262 1.00 0.00 O ATOM 663 CB PRO A 50 -2.549 1.015 13.983 1.00 0.00 C ATOM 664 CG PRO A 50 -1.589 2.139 13.798 1.00 0.00 C ATOM 665 CD PRO A 50 -0.571 1.999 14.895 1.00 0.00 C ATOM 0 HA PRO A 50 -2.241 -0.779 15.234 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.020 0.737 13.040 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.350 1.287 14.671 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.115 2.090 12.818 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.098 3.101 13.859 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.415 2.335 14.573 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.839 2.591 15.770 1.00 0.00 H new ATOM 673 N ALA A 51 -0.282 -0.579 12.627 1.00 0.00 N ATOM 674 CA ALA A 51 0.248 -1.359 11.516 1.00 0.00 C ATOM 675 C ALA A 51 1.119 -2.506 12.016 1.00 0.00 C ATOM 676 O ALA A 51 1.171 -3.571 11.402 1.00 0.00 O ATOM 677 CB ALA A 51 1.040 -0.465 10.573 1.00 0.00 C ATOM 0 H ALA A 51 0.146 0.340 12.739 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.594 -1.787 10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.430 -1.061 9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.389 0.316 10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.869 -0.009 11.114 1.00 0.00 H new ATOM 683 N GLN A 52 1.802 -2.280 13.134 1.00 0.00 N ATOM 684 CA GLN A 52 2.672 -3.295 13.715 1.00 0.00 C ATOM 685 C GLN A 52 1.863 -4.316 14.509 1.00 0.00 C ATOM 686 O GLN A 52 2.083 -5.522 14.394 1.00 0.00 O ATOM 687 CB GLN A 52 3.720 -2.643 14.619 1.00 0.00 C ATOM 688 CG GLN A 52 4.609 -3.643 15.341 1.00 0.00 C ATOM 689 CD GLN A 52 5.430 -4.488 14.387 1.00 0.00 C ATOM 690 OE1 GLN A 52 5.018 -5.580 13.996 1.00 0.00 O ATOM 691 NE2 GLN A 52 6.599 -3.986 14.008 1.00 0.00 N ATOM 0 H GLN A 52 1.769 -1.404 13.655 1.00 0.00 H new ATOM 0 HA GLN A 52 3.178 -3.813 12.900 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.345 -1.982 14.018 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.214 -2.020 15.357 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.278 -3.108 16.015 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.990 -4.295 15.957 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.901 -3.076 14.357 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.195 -4.510 13.367 1.00 0.00 H new ATOM 700 N ARG A 53 0.928 -3.824 15.315 1.00 0.00 N ATOM 701 CA ARG A 53 0.087 -4.693 16.129 1.00 0.00 C ATOM 702 C ARG A 53 -0.679 -5.683 15.256 1.00 0.00 C ATOM 703 O ARG A 53 -0.647 -6.891 15.496 1.00 0.00 O ATOM 704 CB ARG A 53 -0.895 -3.860 16.956 1.00 0.00 C ATOM 705 CG ARG A 53 -0.295 -3.308 18.239 1.00 0.00 C ATOM 706 CD ARG A 53 -1.080 -2.110 18.749 1.00 0.00 C ATOM 707 NE ARG A 53 -0.723 -1.767 20.124 1.00 0.00 N ATOM 708 CZ ARG A 53 -1.067 -2.500 21.177 1.00 0.00 C ATOM 709 NH1 ARG A 53 -1.773 -3.611 21.013 1.00 0.00 N ATOM 710 NH2 ARG A 53 -0.705 -2.123 22.396 1.00 0.00 N ATOM 0 H ARG A 53 0.734 -2.828 15.422 1.00 0.00 H new ATOM 0 HA ARG A 53 0.734 -5.255 16.803 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.257 -3.031 16.348 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.760 -4.475 17.204 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.282 -4.087 19.001 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.741 -3.018 18.062 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.895 -1.253 18.102 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.147 -2.326 18.694 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.180 -0.918 20.284 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.053 -3.904 20.077 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.036 -4.172 21.823 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.162 -1.269 22.526 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.970 -2.687 23.204 1.00 0.00 H new ATOM 724 N CYS A 54 -1.365 -5.163 14.245 1.00 0.00 N ATOM 725 CA CYS A 54 -2.140 -6.001 13.336 1.00 0.00 C ATOM 726 C CYS A 54 -1.265 -7.089 12.720 1.00 0.00 C ATOM 727 O CYS A 54 -1.714 -8.215 12.510 1.00 0.00 O ATOM 728 CB CYS A 54 -2.767 -5.148 12.232 1.00 0.00 C ATOM 729 SG CYS A 54 -1.566 -4.261 11.213 1.00 0.00 S ATOM 0 H CYS A 54 -1.401 -4.166 14.034 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.933 -6.480 13.910 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.369 -5.790 11.589 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.445 -4.426 12.687 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.383 -4.372 11.740 1.00 0.00 H new ATOM 735 N GLY A 55 -0.014 -6.743 12.432 1.00 0.00 N ATOM 736 CA GLY A 55 0.903 -7.700 11.842 1.00 0.00 C ATOM 737 C GLY A 55 0.738 -7.810 10.339 1.00 0.00 C ATOM 738 O GLY A 55 1.722 -7.912 9.606 1.00 0.00 O ATOM 0 H GLY A 55 0.381 -5.817 12.597 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.927 -7.406 12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.743 -8.679 12.295 1.00 0.00 H new ATOM 742 N ARG A 56 -0.508 -7.790 9.879 1.00 0.00 N ATOM 743 CA ARG A 56 -0.798 -7.890 8.453 1.00 0.00 C ATOM 744 C ARG A 56 0.255 -7.154 7.631 1.00 0.00 C ATOM 745 O ARG A 56 0.590 -7.566 6.519 1.00 0.00 O ATOM 746 CB ARG A 56 -2.186 -7.320 8.152 1.00 0.00 C ATOM 747 CG ARG A 56 -3.323 -8.254 8.532 1.00 0.00 C ATOM 748 CD ARG A 56 -4.675 -7.575 8.381 1.00 0.00 C ATOM 749 NE ARG A 56 -5.780 -8.482 8.680 1.00 0.00 N ATOM 750 CZ ARG A 56 -6.108 -9.518 7.915 1.00 0.00 C ATOM 751 NH1 ARG A 56 -5.420 -9.775 6.811 1.00 0.00 N ATOM 752 NH2 ARG A 56 -7.127 -10.298 8.253 1.00 0.00 N ATOM 0 H ARG A 56 -1.333 -7.705 10.472 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.778 -8.944 8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.307 -6.378 8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.253 -7.093 7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.289 -9.144 7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.194 -8.586 9.562 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.724 -6.713 9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.780 -7.199 7.363 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.330 -8.311 9.522 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.637 -9.177 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.674 -10.571 6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.659 -10.103 9.101 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.378 -11.093 7.665 1.00 0.00 H new ATOM 766 N LEU A 57 0.774 -6.063 8.184 1.00 0.00 N ATOM 767 CA LEU A 57 1.790 -5.268 7.502 1.00 0.00 C ATOM 768 C LEU A 57 3.166 -5.501 8.116 1.00 0.00 C ATOM 769 O LEU A 57 3.363 -5.301 9.314 1.00 0.00 O ATOM 770 CB LEU A 57 1.433 -3.782 7.569 1.00 0.00 C ATOM 771 CG LEU A 57 0.172 -3.360 6.814 1.00 0.00 C ATOM 772 CD1 LEU A 57 -0.254 -1.960 7.228 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.402 -3.428 5.312 1.00 0.00 C ATOM 0 H LEU A 57 0.508 -5.709 9.103 1.00 0.00 H new ATOM 0 HA LEU A 57 1.821 -5.581 6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.315 -3.504 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.274 -3.209 7.180 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.631 -4.052 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.153 -1.676 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.461 -1.944 8.298 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.546 -1.255 7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.506 -3.124 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.218 -2.760 5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.659 -4.449 5.029 1.00 0.00 H new ATOM 785 N GLU A 58 4.116 -5.922 7.287 1.00 0.00 N ATOM 786 CA GLU A 58 5.474 -6.180 7.749 1.00 0.00 C ATOM 787 C GLU A 58 6.499 -5.589 6.785 1.00 0.00 C ATOM 788 O GLU A 58 6.233 -5.444 5.592 1.00 0.00 O ATOM 789 CB GLU A 58 5.708 -7.685 7.900 1.00 0.00 C ATOM 790 CG GLU A 58 4.921 -8.312 9.039 1.00 0.00 C ATOM 791 CD GLU A 58 5.190 -9.797 9.185 1.00 0.00 C ATOM 792 OE1 GLU A 58 4.642 -10.580 8.381 1.00 0.00 O ATOM 793 OE2 GLU A 58 5.948 -10.176 10.102 1.00 0.00 O ATOM 0 H GLU A 58 3.970 -6.092 6.292 1.00 0.00 H new ATOM 0 HA GLU A 58 5.597 -5.701 8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.439 -8.181 6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.771 -7.865 8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.174 -7.807 9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.856 -8.154 8.870 1.00 0.00 H new ATOM 800 N VAL A 59 7.671 -5.249 7.312 1.00 0.00 N ATOM 801 CA VAL A 59 8.736 -4.674 6.499 1.00 0.00 C ATOM 802 C VAL A 59 9.071 -5.575 5.316 1.00 0.00 C ATOM 803 O VAL A 59 9.306 -6.771 5.480 1.00 0.00 O ATOM 804 CB VAL A 59 10.012 -4.440 7.330 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.124 -3.883 6.455 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.723 -3.509 8.498 1.00 0.00 C ATOM 0 H VAL A 59 7.907 -5.362 8.298 1.00 0.00 H new ATOM 0 HA VAL A 59 8.371 -3.716 6.130 1.00 0.00 H new ATOM 0 HB VAL A 59 10.344 -5.397 7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.017 -3.724 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.347 -4.590 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.806 -2.935 6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.635 -3.355 9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.366 -2.551 8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.961 -3.954 9.138 1.00 0.00 H new ATOM 816 N GLY A 60 9.092 -4.990 4.121 1.00 0.00 N ATOM 817 CA GLY A 60 9.400 -5.755 2.927 1.00 0.00 C ATOM 818 C GLY A 60 8.181 -5.988 2.057 1.00 0.00 C ATOM 819 O GLY A 60 8.292 -6.091 0.835 1.00 0.00 O ATOM 0 H GLY A 60 8.901 -4.001 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.160 -5.230 2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.826 -6.716 3.215 1.00 0.00 H new ATOM 823 N ASP A 61 7.015 -6.073 2.687 1.00 0.00 N ATOM 824 CA ASP A 61 5.769 -6.297 1.963 1.00 0.00 C ATOM 825 C ASP A 61 5.703 -5.424 0.713 1.00 0.00 C ATOM 826 O ASP A 61 6.166 -4.283 0.715 1.00 0.00 O ATOM 827 CB ASP A 61 4.569 -6.006 2.866 1.00 0.00 C ATOM 828 CG ASP A 61 4.241 -7.168 3.783 1.00 0.00 C ATOM 829 OD1 ASP A 61 5.080 -7.498 4.647 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.144 -7.746 3.638 1.00 0.00 O ATOM 0 H ASP A 61 6.906 -5.990 3.698 1.00 0.00 H new ATOM 0 HA ASP A 61 5.739 -7.343 1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.776 -5.120 3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.700 -5.777 2.249 1.00 0.00 H new ATOM 835 N LEU A 62 5.127 -5.969 -0.353 1.00 0.00 N ATOM 836 CA LEU A 62 5.001 -5.241 -1.610 1.00 0.00 C ATOM 837 C LEU A 62 3.633 -4.575 -1.720 1.00 0.00 C ATOM 838 O LEU A 62 2.603 -5.205 -1.482 1.00 0.00 O ATOM 839 CB LEU A 62 5.216 -6.186 -2.794 1.00 0.00 C ATOM 840 CG LEU A 62 6.477 -7.050 -2.742 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.424 -8.136 -3.805 1.00 0.00 C ATOM 842 CD2 LEU A 62 7.720 -6.189 -2.918 1.00 0.00 C ATOM 0 H LEU A 62 4.740 -6.913 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 62 5.766 -4.464 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.351 -6.845 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.244 -5.592 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 62 6.526 -7.530 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.329 -8.741 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.554 -8.770 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.351 -7.677 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.608 -6.820 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.678 -5.682 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.765 -5.448 -2.120 1.00 0.00 H new ATOM 854 N VAL A 63 3.631 -3.296 -2.083 1.00 0.00 N ATOM 855 CA VAL A 63 2.390 -2.544 -2.227 1.00 0.00 C ATOM 856 C VAL A 63 1.963 -2.463 -3.689 1.00 0.00 C ATOM 857 O VAL A 63 2.692 -1.936 -4.531 1.00 0.00 O ATOM 858 CB VAL A 63 2.529 -1.118 -1.664 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.179 -0.416 -1.648 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.138 -1.152 -0.271 1.00 0.00 C ATOM 0 H VAL A 63 4.475 -2.759 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 63 1.629 -3.078 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 63 3.198 -0.553 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.297 0.591 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.787 -0.358 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.485 -0.977 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.229 -0.135 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.497 -1.733 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.125 -1.612 -0.317 1.00 0.00 H new ATOM 870 N LEU A 64 0.779 -2.987 -3.984 1.00 0.00 N ATOM 871 CA LEU A 64 0.254 -2.974 -5.345 1.00 0.00 C ATOM 872 C LEU A 64 -0.663 -1.774 -5.563 1.00 0.00 C ATOM 873 O LEU A 64 -0.605 -1.116 -6.603 1.00 0.00 O ATOM 874 CB LEU A 64 -0.507 -4.269 -5.632 1.00 0.00 C ATOM 875 CG LEU A 64 0.316 -5.557 -5.579 1.00 0.00 C ATOM 876 CD1 LEU A 64 1.350 -5.576 -6.694 1.00 0.00 C ATOM 877 CD2 LEU A 64 0.991 -5.703 -4.222 1.00 0.00 C ATOM 0 H LEU A 64 0.164 -3.426 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 64 1.096 -2.895 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.324 -4.354 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.958 -4.190 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.358 -6.402 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.926 -6.500 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.846 -5.518 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.020 -4.724 -6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.572 -6.625 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.652 -4.853 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.232 -5.735 -3.440 1.00 0.00 H new ATOM 889 N HIS A 65 -1.506 -1.492 -4.575 1.00 0.00 N ATOM 890 CA HIS A 65 -2.433 -0.369 -4.658 1.00 0.00 C ATOM 891 C HIS A 65 -2.697 0.220 -3.275 1.00 0.00 C ATOM 892 O HIS A 65 -2.161 -0.256 -2.274 1.00 0.00 O ATOM 893 CB HIS A 65 -3.750 -0.813 -5.296 1.00 0.00 C ATOM 894 CG HIS A 65 -3.568 -1.601 -6.556 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.876 -1.125 -7.649 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.992 -2.842 -6.893 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.884 -2.037 -8.605 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.554 -3.089 -8.171 1.00 0.00 N ATOM 0 H HIS A 65 -1.566 -2.025 -3.708 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.978 0.401 -5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.308 -1.415 -4.578 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.355 0.068 -5.512 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.568 -3.513 -6.272 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.421 -1.939 -9.576 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.719 -3.946 -8.699 1.00 0.00 H new ATOM 907 N ILE A 66 -3.526 1.257 -3.228 1.00 0.00 N ATOM 908 CA ILE A 66 -3.861 1.911 -1.969 1.00 0.00 C ATOM 909 C ILE A 66 -5.232 2.576 -2.042 1.00 0.00 C ATOM 910 O ILE A 66 -5.484 3.405 -2.915 1.00 0.00 O ATOM 911 CB ILE A 66 -2.809 2.969 -1.586 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.453 2.305 -1.342 1.00 0.00 C ATOM 913 CG2 ILE A 66 -3.258 3.739 -0.354 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.339 3.291 -1.068 1.00 0.00 C ATOM 0 H ILE A 66 -3.978 1.663 -4.047 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.877 1.134 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.704 3.673 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.539 1.622 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.190 1.704 -2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.505 4.483 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.204 4.238 -0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.387 3.049 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.593 2.750 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.226 3.959 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.580 3.875 -0.180 1.00 0.00 H new ATOM 926 N ASN A 67 -6.112 2.206 -1.118 1.00 0.00 N ATOM 927 CA ASN A 67 -7.458 2.768 -1.077 1.00 0.00 C ATOM 928 C ASN A 67 -8.055 2.853 -2.478 1.00 0.00 C ATOM 929 O ASN A 67 -8.763 3.804 -2.806 1.00 0.00 O ATOM 930 CB ASN A 67 -7.433 4.157 -0.435 1.00 0.00 C ATOM 931 CG ASN A 67 -7.361 4.094 1.078 1.00 0.00 C ATOM 932 OD1 ASN A 67 -8.259 3.565 1.732 1.00 0.00 O ATOM 933 ND2 ASN A 67 -6.287 4.635 1.641 1.00 0.00 N ATOM 0 H ASN A 67 -5.918 1.520 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.083 2.108 -0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.576 4.714 -0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.326 4.707 -0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.182 4.622 2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.567 5.063 1.059 1.00 0.00 H new ATOM 940 N GLY A 68 -7.765 1.850 -3.301 1.00 0.00 N ATOM 941 CA GLY A 68 -8.282 1.829 -4.657 1.00 0.00 C ATOM 942 C GLY A 68 -7.519 2.757 -5.582 1.00 0.00 C ATOM 943 O GLY A 68 -8.083 3.296 -6.533 1.00 0.00 O ATOM 0 H GLY A 68 -7.181 1.051 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.233 0.812 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.334 2.115 -4.646 1.00 0.00 H new ATOM 947 N GLU A 69 -6.234 2.946 -5.300 1.00 0.00 N ATOM 948 CA GLU A 69 -5.394 3.818 -6.113 1.00 0.00 C ATOM 949 C GLU A 69 -4.243 3.035 -6.739 1.00 0.00 C ATOM 950 O GLU A 69 -3.503 2.337 -6.045 1.00 0.00 O ATOM 951 CB GLU A 69 -4.844 4.967 -5.267 1.00 0.00 C ATOM 952 CG GLU A 69 -5.918 5.903 -4.738 1.00 0.00 C ATOM 953 CD GLU A 69 -6.349 6.935 -5.763 1.00 0.00 C ATOM 954 OE1 GLU A 69 -5.520 7.798 -6.120 1.00 0.00 O ATOM 955 OE2 GLU A 69 -7.515 6.878 -6.207 1.00 0.00 O ATOM 0 H GLU A 69 -5.752 2.507 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.009 4.229 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.288 4.553 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.136 5.541 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.785 5.318 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.545 6.413 -3.849 1.00 0.00 H new ATOM 962 N SER A 70 -4.098 3.157 -8.055 1.00 0.00 N ATOM 963 CA SER A 70 -3.040 2.459 -8.775 1.00 0.00 C ATOM 964 C SER A 70 -1.696 3.151 -8.572 1.00 0.00 C ATOM 965 O SER A 70 -1.450 4.230 -9.113 1.00 0.00 O ATOM 966 CB SER A 70 -3.370 2.390 -10.267 1.00 0.00 C ATOM 967 OG SER A 70 -4.166 1.255 -10.562 1.00 0.00 O ATOM 0 H SER A 70 -4.700 3.733 -8.644 1.00 0.00 H new ATOM 0 HA SER A 70 -2.971 1.446 -8.377 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.897 3.296 -10.568 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.447 2.351 -10.845 1.00 0.00 H new ATOM 0 HG SER A 70 -4.364 1.235 -11.521 1.00 0.00 H new ATOM 973 N THR A 71 -0.827 2.522 -7.786 1.00 0.00 N ATOM 974 CA THR A 71 0.492 3.076 -7.509 1.00 0.00 C ATOM 975 C THR A 71 1.462 2.786 -8.649 1.00 0.00 C ATOM 976 O THR A 71 2.672 2.953 -8.504 1.00 0.00 O ATOM 977 CB THR A 71 1.075 2.512 -6.199 1.00 0.00 C ATOM 978 OG1 THR A 71 2.376 3.062 -5.965 1.00 0.00 O ATOM 979 CG2 THR A 71 1.163 0.995 -6.256 1.00 0.00 C ATOM 0 H THR A 71 -1.014 1.629 -7.330 1.00 0.00 H new ATOM 0 HA THR A 71 0.366 4.154 -7.408 1.00 0.00 H new ATOM 0 HB THR A 71 0.411 2.791 -5.381 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.721 3.452 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.577 0.619 -5.321 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.167 0.578 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.808 0.699 -7.083 1.00 0.00 H new ATOM 987 N GLN A 72 0.921 2.351 -9.783 1.00 0.00 N ATOM 988 CA GLN A 72 1.740 2.037 -10.948 1.00 0.00 C ATOM 989 C GLN A 72 2.648 3.209 -11.307 1.00 0.00 C ATOM 990 O GLN A 72 3.806 3.019 -11.674 1.00 0.00 O ATOM 991 CB GLN A 72 0.851 1.681 -12.141 1.00 0.00 C ATOM 992 CG GLN A 72 1.612 1.062 -13.303 1.00 0.00 C ATOM 993 CD GLN A 72 0.708 0.296 -14.250 1.00 0.00 C ATOM 994 OE1 GLN A 72 -0.509 0.254 -14.067 1.00 0.00 O ATOM 995 NE2 GLN A 72 1.300 -0.314 -15.270 1.00 0.00 N ATOM 0 H GLN A 72 -0.080 2.208 -9.919 1.00 0.00 H new ATOM 0 HA GLN A 72 2.365 1.179 -10.701 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.078 0.987 -11.813 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.344 2.582 -12.488 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.128 1.848 -13.855 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.378 0.390 -12.915 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.312 -0.253 -15.383 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.743 -0.844 -15.940 1.00 0.00 H new ATOM 1004 N GLY A 73 2.113 4.421 -11.197 1.00 0.00 N ATOM 1005 CA GLY A 73 2.889 5.606 -11.514 1.00 0.00 C ATOM 1006 C GLY A 73 2.820 6.653 -10.420 1.00 0.00 C ATOM 1007 O GLY A 73 2.779 7.852 -10.700 1.00 0.00 O ATOM 0 H GLY A 73 1.156 4.604 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.929 5.323 -11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.526 6.036 -12.448 1.00 0.00 H new ATOM 1011 N LEU A 74 2.807 6.202 -9.171 1.00 0.00 N ATOM 1012 CA LEU A 74 2.741 7.109 -8.031 1.00 0.00 C ATOM 1013 C LEU A 74 4.066 7.132 -7.276 1.00 0.00 C ATOM 1014 O LEU A 74 4.730 6.104 -7.132 1.00 0.00 O ATOM 1015 CB LEU A 74 1.611 6.693 -7.087 1.00 0.00 C ATOM 1016 CG LEU A 74 0.192 6.820 -7.643 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -0.827 6.352 -6.616 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.090 8.256 -8.062 1.00 0.00 C ATOM 0 H LEU A 74 2.841 5.213 -8.922 1.00 0.00 H new ATOM 0 HA LEU A 74 2.541 8.112 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.773 5.656 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.680 7.296 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 74 0.108 6.183 -8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.831 6.450 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.638 5.308 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.744 6.962 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.104 8.328 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.012 8.914 -7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.620 8.556 -8.833 1.00 0.00 H new ATOM 1030 N THR A 75 4.446 8.311 -6.793 1.00 0.00 N ATOM 1031 CA THR A 75 5.691 8.467 -6.051 1.00 0.00 C ATOM 1032 C THR A 75 5.456 8.348 -4.550 1.00 0.00 C ATOM 1033 O THR A 75 4.314 8.293 -4.093 1.00 0.00 O ATOM 1034 CB THR A 75 6.355 9.825 -6.349 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.383 10.874 -6.271 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.996 9.823 -7.728 1.00 0.00 C ATOM 0 H THR A 75 3.909 9.172 -6.902 1.00 0.00 H new ATOM 0 HA THR A 75 6.355 7.666 -6.376 1.00 0.00 H new ATOM 0 HB THR A 75 7.133 9.995 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.814 11.734 -6.460 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.458 10.792 -7.916 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.756 9.043 -7.775 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.234 9.632 -8.483 1.00 0.00 H new ATOM 1044 N HIS A 76 6.544 8.309 -3.787 1.00 0.00 N ATOM 1045 CA HIS A 76 6.455 8.197 -2.335 1.00 0.00 C ATOM 1046 C HIS A 76 5.456 9.203 -1.772 1.00 0.00 C ATOM 1047 O HIS A 76 4.593 8.853 -0.968 1.00 0.00 O ATOM 1048 CB HIS A 76 7.829 8.415 -1.701 1.00 0.00 C ATOM 1049 CG HIS A 76 7.767 8.789 -0.252 1.00 0.00 C ATOM 1050 ND1 HIS A 76 7.888 10.087 0.197 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.594 8.025 0.853 1.00 0.00 C ATOM 1052 CE1 HIS A 76 7.794 10.106 1.514 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.615 8.867 1.937 1.00 0.00 N ATOM 0 H HIS A 76 7.496 8.353 -4.149 1.00 0.00 H new ATOM 0 HA HIS A 76 6.107 7.193 -2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.418 7.504 -1.808 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.352 9.199 -2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 76 7.464 6.953 0.877 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.853 10.985 2.139 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.510 8.582 2.911 1.00 0.00 H new ATOM 1062 N ALA A 77 5.580 10.455 -2.201 1.00 0.00 N ATOM 1063 CA ALA A 77 4.688 11.512 -1.741 1.00 0.00 C ATOM 1064 C ALA A 77 3.244 11.223 -2.138 1.00 0.00 C ATOM 1065 O ALA A 77 2.330 11.348 -1.324 1.00 0.00 O ATOM 1066 CB ALA A 77 5.131 12.857 -2.298 1.00 0.00 C ATOM 0 H ALA A 77 6.290 10.762 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 77 4.738 11.548 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.456 13.637 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.144 13.075 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.111 12.824 -3.387 1.00 0.00 H new ATOM 1072 N GLN A 78 3.047 10.837 -3.395 1.00 0.00 N ATOM 1073 CA GLN A 78 1.713 10.532 -3.900 1.00 0.00 C ATOM 1074 C GLN A 78 1.061 9.425 -3.079 1.00 0.00 C ATOM 1075 O GLN A 78 -0.003 9.618 -2.492 1.00 0.00 O ATOM 1076 CB GLN A 78 1.784 10.120 -5.371 1.00 0.00 C ATOM 1077 CG GLN A 78 2.302 11.217 -6.286 1.00 0.00 C ATOM 1078 CD GLN A 78 1.286 12.321 -6.506 1.00 0.00 C ATOM 1079 OE1 GLN A 78 0.485 12.628 -5.623 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.315 12.925 -7.688 1.00 0.00 N ATOM 0 H GLN A 78 3.793 10.728 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 78 1.103 11.431 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.429 9.246 -5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.790 9.820 -5.704 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.209 11.643 -5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.576 10.784 -7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.996 12.638 -8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.656 13.676 -7.893 1.00 0.00 H new ATOM 1089 N ALA A 79 1.707 8.263 -3.043 1.00 0.00 N ATOM 1090 CA ALA A 79 1.190 7.125 -2.293 1.00 0.00 C ATOM 1091 C ALA A 79 0.726 7.548 -0.904 1.00 0.00 C ATOM 1092 O ALA A 79 -0.400 7.258 -0.499 1.00 0.00 O ATOM 1093 CB ALA A 79 2.248 6.037 -2.190 1.00 0.00 C ATOM 0 H ALA A 79 2.589 8.086 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 79 0.328 6.729 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.849 5.193 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.528 5.706 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.126 6.431 -1.679 1.00 0.00 H new ATOM 1099 N VAL A 80 1.601 8.236 -0.176 1.00 0.00 N ATOM 1100 CA VAL A 80 1.280 8.700 1.168 1.00 0.00 C ATOM 1101 C VAL A 80 0.036 9.580 1.164 1.00 0.00 C ATOM 1102 O VAL A 80 -0.967 9.258 1.801 1.00 0.00 O ATOM 1103 CB VAL A 80 2.451 9.488 1.784 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.087 9.987 3.174 1.00 0.00 C ATOM 1105 CG2 VAL A 80 3.706 8.628 1.830 1.00 0.00 C ATOM 0 H VAL A 80 2.538 8.484 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 80 1.091 7.813 1.772 1.00 0.00 H new ATOM 0 HB VAL A 80 2.654 10.354 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.927 10.541 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.217 10.640 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.856 9.137 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.524 9.201 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.518 7.742 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.977 8.325 0.819 1.00 0.00 H new ATOM 1115 N GLU A 81 0.108 10.693 0.441 1.00 0.00 N ATOM 1116 CA GLU A 81 -1.014 11.621 0.354 1.00 0.00 C ATOM 1117 C GLU A 81 -2.340 10.868 0.293 1.00 0.00 C ATOM 1118 O GLU A 81 -3.296 11.215 0.987 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.868 12.519 -0.876 1.00 0.00 C ATOM 1120 CG GLU A 81 -2.023 13.489 -1.062 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.708 14.586 -2.060 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -1.440 14.262 -3.235 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -1.730 15.771 -1.664 1.00 0.00 O ATOM 0 H GLU A 81 0.931 10.974 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.009 12.241 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.061 13.084 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.783 11.893 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.903 12.940 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.274 13.938 -0.101 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.389 9.836 -0.543 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.597 9.034 -0.697 1.00 0.00 C ATOM 1132 C ARG A 82 -4.038 8.453 0.643 1.00 0.00 C ATOM 1133 O ARG A 82 -5.216 8.508 0.997 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.361 7.905 -1.701 1.00 0.00 C ATOM 1135 CG ARG A 82 -3.058 8.395 -3.108 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.257 9.098 -3.724 1.00 0.00 C ATOM 1137 NE ARG A 82 -4.376 10.479 -3.266 1.00 0.00 N ATOM 1138 CZ ARG A 82 -5.501 11.183 -3.337 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.598 10.636 -3.844 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -5.530 12.435 -2.899 1.00 0.00 N ATOM 0 H ARG A 82 -1.606 9.536 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.389 9.683 -1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.532 7.289 -1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.243 7.266 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.209 9.078 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.769 7.551 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.168 9.083 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.166 8.553 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.550 10.928 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.579 9.673 -4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.460 11.178 -3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.688 12.858 -2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.394 12.975 -2.954 1.00 0.00 H new ATOM 1154 N ILE A 83 -3.085 7.896 1.383 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.376 7.305 2.684 1.00 0.00 C ATOM 1156 C ILE A 83 -4.002 8.329 3.625 1.00 0.00 C ATOM 1157 O ILE A 83 -5.138 8.165 4.070 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.105 6.732 3.339 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.411 5.755 2.387 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.449 6.047 4.653 1.00 0.00 C ATOM 1161 CD1 ILE A 83 0.037 5.496 2.738 1.00 0.00 C ATOM 0 H ILE A 83 -2.105 7.842 1.104 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.083 6.494 2.511 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.420 7.553 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.952 4.809 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.466 6.148 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.541 5.647 5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.903 6.769 5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.150 5.233 4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.465 4.795 2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.593 6.433 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.098 5.073 3.741 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.254 9.386 3.923 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.735 10.437 4.810 1.00 0.00 C ATOM 1175 C ARG A 84 -5.098 10.951 4.355 1.00 0.00 C ATOM 1176 O ARG A 84 -6.043 11.013 5.140 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.733 11.592 4.860 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.470 11.269 5.642 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.744 11.195 7.136 1.00 0.00 C ATOM 1180 NE ARG A 84 -1.986 12.514 7.714 1.00 0.00 N ATOM 1181 CZ ARG A 84 -1.021 13.384 7.988 1.00 0.00 C ATOM 1182 NH1 ARG A 84 0.244 13.077 7.738 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -1.321 14.565 8.514 1.00 0.00 N ATOM 0 H ARG A 84 -2.312 9.537 3.563 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.840 10.014 5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.459 11.869 3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.215 12.461 5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.061 10.319 5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.715 12.030 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.609 10.557 7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.896 10.730 7.638 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.949 12.782 7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.478 12.170 7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.983 13.748 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.293 14.805 8.708 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.579 15.233 8.724 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.190 11.320 3.081 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.436 11.827 2.521 1.00 0.00 C ATOM 1199 C ALA A 85 -7.545 10.785 2.617 1.00 0.00 C ATOM 1200 O ALA A 85 -8.721 11.126 2.740 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.231 12.250 1.074 1.00 0.00 C ATOM 0 H ALA A 85 -4.416 11.277 2.418 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.739 12.697 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.170 12.627 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.475 13.034 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.901 11.393 0.488 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.163 9.513 2.559 1.00 0.00 N ATOM 1208 CA GLY A 86 -8.138 8.441 2.640 1.00 0.00 C ATOM 1209 C GLY A 86 -9.199 8.701 3.691 1.00 0.00 C ATOM 1210 O GLY A 86 -10.385 8.472 3.455 1.00 0.00 O ATOM 0 H GLY A 86 -6.196 9.206 2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.616 8.315 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.627 7.506 2.868 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.772 9.179 4.856 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.707 9.460 5.929 1.00 0.00 C ATOM 1216 C GLY A 87 -9.363 8.719 7.207 1.00 0.00 C ATOM 1217 O GLY A 87 -8.209 8.369 7.455 1.00 0.00 O ATOM 0 H GLY A 87 -7.796 9.376 5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.718 10.532 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.713 9.184 5.612 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.380 8.472 8.045 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.204 7.767 9.318 1.00 0.00 C ATOM 1223 C PRO A 88 -9.876 6.291 9.123 1.00 0.00 C ATOM 1224 O PRO A 88 -9.307 5.650 10.006 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.563 7.927 10.003 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.530 8.119 8.886 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.782 8.860 7.813 1.00 0.00 C ATOM 0 HA PRO A 88 -9.371 8.169 9.895 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.813 7.048 10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.567 8.781 10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.895 7.161 8.517 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.401 8.685 9.217 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.119 8.573 6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.920 9.938 7.898 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.240 5.757 7.961 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.984 4.355 7.651 1.00 0.00 C ATOM 1237 C GLN A 89 -8.822 4.217 6.673 1.00 0.00 C ATOM 1238 O GLN A 89 -8.751 4.932 5.673 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.238 3.703 7.067 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.431 3.726 8.009 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.456 2.659 7.679 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -14.014 2.636 6.582 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -13.709 1.768 8.630 1.00 0.00 N ATOM 0 H GLN A 89 -10.713 6.274 7.219 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.717 3.847 8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.506 4.214 6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.012 2.669 6.806 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.084 3.586 9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.905 4.706 7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.223 1.825 9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.390 1.026 8.466 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.913 3.294 6.969 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.753 3.062 6.115 1.00 0.00 C ATOM 1254 C LEU A 90 -6.913 1.772 5.318 1.00 0.00 C ATOM 1255 O LEU A 90 -7.208 0.716 5.878 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.479 2.999 6.960 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.304 2.237 6.345 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.983 2.811 6.833 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.398 0.755 6.674 1.00 0.00 C ATOM 0 H LEU A 90 -7.957 2.695 7.793 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.676 3.893 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.155 4.018 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.724 2.539 7.917 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.349 2.351 5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.158 2.257 6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.914 3.860 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.929 2.728 7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.554 0.229 6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.379 0.620 7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.329 0.352 6.274 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.715 1.864 4.007 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.835 0.703 3.132 1.00 0.00 C ATOM 1273 C HIS A 91 -5.617 0.581 2.221 1.00 0.00 C ATOM 1274 O HIS A 91 -5.374 1.442 1.374 1.00 0.00 O ATOM 1275 CB HIS A 91 -8.108 0.801 2.291 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.616 -0.526 1.818 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -9.306 -1.493 2.468 1.00 0.00 N flip ATOM 1278 CD2 HIS A 91 -8.431 -0.988 0.532 1.00 0.00 C flip ATOM 1279 CE1 HIS A 91 -9.524 -2.510 1.571 1.00 0.00 C flip ATOM 1280 NE2 HIS A 91 -8.987 -2.181 0.410 1.00 0.00 N flip ATOM 0 H HIS A 91 -6.471 2.730 3.527 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.890 -0.188 3.757 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.885 1.290 2.878 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.915 1.436 1.426 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -9.608 -1.470 3.442 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.913 -0.458 -0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.049 -3.430 1.781 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.854 -0.491 2.401 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.660 -0.725 1.596 1.00 0.00 C ATOM 1291 C LEU A 92 -3.680 -2.123 0.986 1.00 0.00 C ATOM 1292 O LEU A 92 -3.894 -3.114 1.685 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.403 -0.546 2.448 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.338 0.729 3.289 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.169 0.669 4.260 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.226 1.954 2.392 1.00 0.00 C ATOM 0 H LEU A 92 -5.041 -1.212 3.097 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.649 0.005 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.316 -1.403 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.535 -0.567 1.789 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.259 0.808 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.139 1.585 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.291 -0.187 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.238 0.566 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.181 2.853 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.321 1.882 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.096 2.006 1.737 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.454 -2.196 -0.322 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.442 -3.473 -1.026 1.00 0.00 C ATOM 1310 C VAL A 93 -2.054 -4.102 -1.000 1.00 0.00 C ATOM 1311 O VAL A 93 -1.128 -3.613 -1.648 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.894 -3.311 -2.490 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -4.092 -4.671 -3.141 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -5.168 -2.484 -2.565 1.00 0.00 C ATOM 0 H VAL A 93 -3.277 -1.386 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.143 -4.127 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.113 -2.783 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.411 -4.537 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.153 -5.224 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.854 -5.228 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.473 -2.379 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.959 -2.982 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.987 -1.497 -2.139 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.917 -5.189 -0.249 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.642 -5.887 -0.141 1.00 0.00 C ATOM 1326 C ILE A 94 -0.770 -7.340 -0.584 1.00 0.00 C ATOM 1327 O ILE A 94 -1.797 -7.980 -0.358 1.00 0.00 O ATOM 1328 CB ILE A 94 -0.099 -5.847 1.300 1.00 0.00 C ATOM 1329 CG1 ILE A 94 -0.050 -4.406 1.811 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.280 -6.486 1.364 1.00 0.00 C ATOM 1331 CD1 ILE A 94 0.763 -3.481 0.932 1.00 0.00 C ATOM 0 H ILE A 94 -2.673 -5.606 0.294 1.00 0.00 H new ATOM 0 HA ILE A 94 0.057 -5.370 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.771 -6.416 1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.067 -4.021 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.369 -4.400 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.650 -6.450 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.216 -7.524 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.964 -5.942 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.754 -2.476 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.790 -3.842 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.331 -3.457 -0.069 1.00 0.00 H new ATOM 1343 N ARG A 95 0.279 -7.855 -1.216 1.00 0.00 N ATOM 1344 CA ARG A 95 0.284 -9.233 -1.691 1.00 0.00 C ATOM 1345 C ARG A 95 1.604 -9.920 -1.353 1.00 0.00 C ATOM 1346 O ARG A 95 2.629 -9.662 -1.984 1.00 0.00 O ATOM 1347 CB ARG A 95 0.047 -9.276 -3.201 1.00 0.00 C ATOM 1348 CG ARG A 95 0.328 -10.633 -3.824 1.00 0.00 C ATOM 1349 CD ARG A 95 0.173 -10.595 -5.336 1.00 0.00 C ATOM 1350 NE ARG A 95 0.846 -11.718 -5.984 1.00 0.00 N ATOM 1351 CZ ARG A 95 1.075 -11.783 -7.291 1.00 0.00 C ATOM 1352 NH1 ARG A 95 0.689 -10.794 -8.085 1.00 0.00 N ATOM 1353 NH2 ARG A 95 1.693 -12.839 -7.805 1.00 0.00 N ATOM 0 H ARG A 95 1.137 -7.339 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.523 -9.766 -1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.987 -8.999 -3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.678 -8.528 -3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.339 -10.949 -3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.353 -11.374 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.886 -10.611 -5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.580 -9.659 -5.719 1.00 0.00 H new ATOM 0 HE ARG A 95 1.157 -12.495 -5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.215 -9.980 -7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.866 -10.847 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.992 -13.601 -7.197 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.869 -12.889 -8.809 1.00 0.00 H new ATOM 1367 N ARG A 96 1.571 -10.796 -0.353 1.00 0.00 N ATOM 1368 CA ARG A 96 2.765 -11.518 0.070 1.00 0.00 C ATOM 1369 C ARG A 96 3.364 -12.305 -1.092 1.00 0.00 C ATOM 1370 O ARG A 96 2.725 -13.178 -1.678 1.00 0.00 O ATOM 1371 CB ARG A 96 2.431 -12.466 1.223 1.00 0.00 C ATOM 1372 CG ARG A 96 3.646 -13.175 1.799 1.00 0.00 C ATOM 1373 CD ARG A 96 4.323 -12.338 2.872 1.00 0.00 C ATOM 1374 NE ARG A 96 3.631 -12.428 4.155 1.00 0.00 N ATOM 1375 CZ ARG A 96 4.139 -11.979 5.297 1.00 0.00 C ATOM 1376 NH1 ARG A 96 5.337 -11.410 5.316 1.00 0.00 N ATOM 1377 NH2 ARG A 96 3.448 -12.097 6.424 1.00 0.00 N ATOM 0 H ARG A 96 0.731 -11.022 0.179 1.00 0.00 H new ATOM 0 HA ARG A 96 3.500 -10.788 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.940 -11.902 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.717 -13.212 0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.343 -14.133 2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.356 -13.388 1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.355 -12.669 2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.358 -11.297 2.551 1.00 0.00 H new ATOM 0 HE ARG A 96 2.707 -12.859 4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.871 -11.316 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.724 -11.066 6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.526 -12.533 6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.839 -11.752 7.301 1.00 0.00 H new ATOM 1391 N PRO A 97 4.622 -11.988 -1.435 1.00 0.00 N ATOM 1392 CA PRO A 97 5.336 -12.654 -2.529 1.00 0.00 C ATOM 1393 C PRO A 97 5.685 -14.101 -2.198 1.00 0.00 C ATOM 1394 O PRO A 97 5.870 -14.454 -1.032 1.00 0.00 O ATOM 1395 CB PRO A 97 6.609 -11.818 -2.682 1.00 0.00 C ATOM 1396 CG PRO A 97 6.818 -11.197 -1.344 1.00 0.00 C ATOM 1397 CD PRO A 97 5.445 -10.958 -0.780 1.00 0.00 C ATOM 0 HA PRO A 97 4.733 -12.708 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.458 -12.439 -2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.494 -11.060 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.398 -11.854 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.373 -10.263 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.432 -11.064 0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.087 -9.954 -1.007 1.00 0.00 H new ATOM 1405 N LEU A 98 5.775 -14.933 -3.229 1.00 0.00 N ATOM 1406 CA LEU A 98 6.104 -16.343 -3.047 1.00 0.00 C ATOM 1407 C LEU A 98 7.614 -16.548 -2.999 1.00 0.00 C ATOM 1408 O LEU A 98 8.136 -17.522 -3.543 1.00 0.00 O ATOM 1409 CB LEU A 98 5.500 -17.177 -4.178 1.00 0.00 C ATOM 1410 CG LEU A 98 4.053 -17.632 -3.978 1.00 0.00 C ATOM 1411 CD1 LEU A 98 3.466 -18.134 -5.288 1.00 0.00 C ATOM 1412 CD2 LEU A 98 3.977 -18.711 -2.909 1.00 0.00 C ATOM 0 H LEU A 98 5.625 -14.657 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 98 5.682 -16.670 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.553 -16.596 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.121 -18.061 -4.322 1.00 0.00 H new ATOM 0 HG LEU A 98 3.465 -16.777 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.436 -18.453 -5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.486 -17.332 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.055 -18.976 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.941 -19.023 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.578 -19.568 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.357 -18.317 -1.967 1.00 0.00 H new ATOM 1424 N SER A 99 8.311 -15.626 -2.344 1.00 0.00 N ATOM 1425 CA SER A 99 9.763 -15.705 -2.226 1.00 0.00 C ATOM 1426 C SER A 99 10.185 -15.786 -0.762 1.00 0.00 C ATOM 1427 O SER A 99 9.539 -15.214 0.115 1.00 0.00 O ATOM 1428 CB SER A 99 10.416 -14.492 -2.891 1.00 0.00 C ATOM 1429 OG SER A 99 11.797 -14.716 -3.115 1.00 0.00 O ATOM 0 H SER A 99 7.894 -14.815 -1.887 1.00 0.00 H new ATOM 0 HA SER A 99 10.096 -16.611 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.920 -14.282 -3.839 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.284 -13.613 -2.260 1.00 0.00 H new ATOM 0 HG SER A 99 12.191 -13.927 -3.542 1.00 0.00 H new ATOM 1435 N GLY A 100 11.277 -16.501 -0.506 1.00 0.00 N ATOM 1436 CA GLY A 100 11.768 -16.644 0.852 1.00 0.00 C ATOM 1437 C GLY A 100 13.155 -16.059 1.032 1.00 0.00 C ATOM 1438 O GLY A 100 14.117 -16.767 1.328 1.00 0.00 O ATOM 0 H GLY A 100 11.830 -16.983 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 100 11.078 -16.153 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.785 -17.701 1.119 1.00 0.00 H new ATOM 1442 N PRO A 101 13.271 -14.735 0.849 1.00 0.00 N ATOM 1443 CA PRO A 101 14.546 -14.026 0.986 1.00 0.00 C ATOM 1444 C PRO A 101 15.024 -13.967 2.433 1.00 0.00 C ATOM 1445 O PRO A 101 14.275 -13.574 3.328 1.00 0.00 O ATOM 1446 CB PRO A 101 14.228 -12.620 0.470 1.00 0.00 C ATOM 1447 CG PRO A 101 12.762 -12.462 0.683 1.00 0.00 C ATOM 1448 CD PRO A 101 12.166 -13.829 0.494 1.00 0.00 C ATOM 0 HA PRO A 101 15.349 -14.523 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 101 14.791 -11.862 1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 101 14.489 -12.516 -0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 101 12.552 -12.079 1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 101 12.339 -11.751 -0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.299 -13.982 1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.833 -13.984 -0.532 1.00 0.00 H new ATOM 1456 N SER A 102 16.274 -14.358 2.656 1.00 0.00 N ATOM 1457 CA SER A 102 16.850 -14.353 3.995 1.00 0.00 C ATOM 1458 C SER A 102 18.350 -14.078 3.941 1.00 0.00 C ATOM 1459 O SER A 102 19.136 -14.940 3.546 1.00 0.00 O ATOM 1460 CB SER A 102 16.590 -15.690 4.691 1.00 0.00 C ATOM 1461 OG SER A 102 15.366 -15.664 5.405 1.00 0.00 O ATOM 0 H SER A 102 16.908 -14.683 1.926 1.00 0.00 H new ATOM 0 HA SER A 102 16.373 -13.556 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 102 16.566 -16.490 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 102 17.409 -15.913 5.375 1.00 0.00 H new ATOM 0 HG SER A 102 14.741 -15.054 4.961 1.00 0.00 H new ATOM 1467 N SER A 103 18.739 -12.872 4.340 1.00 0.00 N ATOM 1468 CA SER A 103 20.144 -12.481 4.333 1.00 0.00 C ATOM 1469 C SER A 103 20.674 -12.335 5.757 1.00 0.00 C ATOM 1470 O SER A 103 20.228 -11.473 6.512 1.00 0.00 O ATOM 1471 CB SER A 103 20.326 -11.167 3.572 1.00 0.00 C ATOM 1472 OG SER A 103 19.762 -10.081 4.287 1.00 0.00 O ATOM 0 H SER A 103 18.101 -12.148 4.672 1.00 0.00 H new ATOM 0 HA SER A 103 20.711 -13.265 3.831 1.00 0.00 H new ATOM 0 HB2 SER A 103 21.387 -10.984 3.405 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.857 -11.243 2.591 1.00 0.00 H new ATOM 0 HG SER A 103 19.597 -10.350 5.215 1.00 0.00 H new ATOM 1478 N GLY A 104 21.630 -13.187 6.116 1.00 0.00 N ATOM 1479 CA GLY A 104 22.206 -13.138 7.447 1.00 0.00 C ATOM 1480 C GLY A 104 23.627 -13.663 7.483 1.00 0.00 C ATOM 1481 O GLY A 104 24.018 -14.474 6.644 1.00 0.00 O ATOM 0 H GLY A 104 22.016 -13.910 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.193 -12.109 7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.588 -13.723 8.129 1.00 0.00 H new TER 1485 GLY A 104