USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 693 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 20 SER OG : rot 180:sc= 0.183 USER MOD Set 1.2: A 84 TYR OH : rot -45:sc= 0.191 USER MOD Single : A 1 VAL N :NH3+ -157:sc= 0.757 (180deg=-0.211) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 49:sc= 1.19 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0836 K(o=-0.084,f=-3.3!) USER MOD Single : A 35 THR OG1 : rot 66:sc= 1.26 USER MOD Single : A 39 ASN : amide:sc= -0.499 K(o=-0.5,f=-3.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.724 K(o=0.72,f=-5.2!) USER MOD Single : A 49 MET CE :methyl -166:sc=-0.00511 (180deg=-0.239) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -119:sc= 1.32 (180deg=-0.0906) USER MOD Single : A 60 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.29) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= -0.0223 (180deg=-0.164) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= 1.22 (180deg=1.15) USER MOD Single : A 65 SER OG : rot 28:sc= 0.768 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 136:sc= 2.39 (180deg=0.815) USER MOD Single : A 73 TYR OH : rot 0:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.018) USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.15) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 7:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -11.318 10.688 -1.703 1.00 0.00 N ATOM 2 CA VAL A 1 -11.311 9.209 -1.657 1.00 0.00 C ATOM 3 C VAL A 1 -10.472 8.673 -0.548 1.00 0.00 C ATOM 4 O VAL A 1 -10.486 7.486 -0.229 1.00 0.00 O ATOM 5 CB VAL A 1 -10.930 8.651 -2.996 1.00 0.00 C ATOM 6 CG1 VAL A 1 -11.317 7.165 -3.097 1.00 0.00 C ATOM 7 CG2 VAL A 1 -11.624 9.385 -4.156 1.00 0.00 C ATOM 0 H1 VAL A 1 -12.173 11.016 -2.197 1.00 0.00 H new ATOM 0 H2 VAL A 1 -11.312 11.065 -0.734 1.00 0.00 H new ATOM 0 H3 VAL A 1 -10.475 11.024 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 1 -12.324 8.875 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 1 -9.851 8.782 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -11.032 6.780 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -10.800 6.601 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -12.394 7.060 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -11.315 8.943 -5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -12.705 9.294 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -11.345 10.438 -4.139 1.00 0.00 H new ATOM 19 N SER A 2 -9.710 9.524 0.162 1.00 0.00 N ATOM 20 CA SER A 2 -8.865 9.291 1.293 1.00 0.00 C ATOM 21 C SER A 2 -9.510 8.586 2.436 1.00 0.00 C ATOM 22 O SER A 2 -8.844 7.885 3.196 1.00 0.00 O ATOM 23 CB SER A 2 -8.363 10.623 1.876 1.00 0.00 C ATOM 24 OG SER A 2 -7.830 11.433 0.838 1.00 0.00 O ATOM 0 H SER A 2 -9.687 10.510 -0.097 1.00 0.00 H new ATOM 0 HA SER A 2 -8.073 8.660 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.181 11.144 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.600 10.435 2.631 1.00 0.00 H new ATOM 0 HG SER A 2 -7.513 12.281 1.214 1.00 0.00 H new ATOM 30 N GLN A 3 -10.835 8.727 2.620 1.00 0.00 N ATOM 31 CA GLN A 3 -11.498 8.015 3.669 1.00 0.00 C ATOM 32 C GLN A 3 -11.659 6.575 3.322 1.00 0.00 C ATOM 33 O GLN A 3 -11.290 5.675 4.076 1.00 0.00 O ATOM 34 CB GLN A 3 -12.862 8.624 4.037 1.00 0.00 C ATOM 35 CG GLN A 3 -12.807 10.092 4.463 1.00 0.00 C ATOM 36 CD GLN A 3 -14.208 10.606 4.764 1.00 0.00 C ATOM 37 OE1 GLN A 3 -15.204 9.894 4.659 1.00 0.00 O ATOM 38 NE2 GLN A 3 -14.317 11.915 5.122 1.00 0.00 N ATOM 0 H GLN A 3 -11.439 9.323 2.054 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.857 8.103 4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.530 8.532 3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.300 8.040 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.176 10.199 5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.354 10.691 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.480 12.492 5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.235 12.318 5.308 1.00 0.00 H new ATOM 47 N LEU A 4 -12.154 6.312 2.100 1.00 0.00 N ATOM 48 CA LEU A 4 -12.297 5.010 1.525 1.00 0.00 C ATOM 49 C LEU A 4 -10.994 4.290 1.485 1.00 0.00 C ATOM 50 O LEU A 4 -10.902 3.119 1.850 1.00 0.00 O ATOM 51 CB LEU A 4 -12.751 5.036 0.056 1.00 0.00 C ATOM 52 CG LEU A 4 -12.860 3.636 -0.571 1.00 0.00 C ATOM 53 CD1 LEU A 4 -13.892 2.741 0.135 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.237 3.751 -2.058 1.00 0.00 C ATOM 0 H LEU A 4 -12.474 7.053 1.476 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.040 4.525 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.719 5.532 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.047 5.633 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.882 3.170 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.923 1.767 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.610 2.615 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.876 3.206 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.312 2.754 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.196 4.260 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.471 4.320 -2.585 1.00 0.00 H new ATOM 66 N PHE A 5 -9.947 5.000 1.027 1.00 0.00 N ATOM 67 CA PHE A 5 -8.620 4.521 0.796 1.00 0.00 C ATOM 68 C PHE A 5 -8.133 3.650 1.903 1.00 0.00 C ATOM 69 O PHE A 5 -7.748 2.503 1.682 1.00 0.00 O ATOM 70 CB PHE A 5 -7.727 5.721 0.441 1.00 0.00 C ATOM 71 CG PHE A 5 -6.351 5.672 1.011 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.425 4.815 0.464 1.00 0.00 C ATOM 73 CD2 PHE A 5 -6.078 6.273 2.217 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.284 4.487 1.158 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.956 5.930 2.935 1.00 0.00 C ATOM 76 CZ PHE A 5 -4.086 4.997 2.420 1.00 0.00 C ATOM 0 H PHE A 5 -10.039 5.990 0.800 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.594 3.846 -0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.652 5.791 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.215 6.633 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.595 4.397 -0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.752 7.023 2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.548 3.833 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.760 6.388 3.893 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.244 4.664 3.009 1.00 0.00 H new ATOM 86 N GLU A 6 -8.197 4.136 3.155 1.00 0.00 N ATOM 87 CA GLU A 6 -7.682 3.432 4.289 1.00 0.00 C ATOM 88 C GLU A 6 -8.704 2.505 4.850 1.00 0.00 C ATOM 89 O GLU A 6 -8.345 1.431 5.332 1.00 0.00 O ATOM 90 CB GLU A 6 -7.090 4.339 5.381 1.00 0.00 C ATOM 91 CG GLU A 6 -8.067 5.429 5.828 1.00 0.00 C ATOM 92 CD GLU A 6 -7.551 6.321 6.948 1.00 0.00 C ATOM 93 OE1 GLU A 6 -6.594 7.105 6.713 1.00 0.00 O ATOM 94 OE2 GLU A 6 -8.126 6.295 8.069 1.00 0.00 O ATOM 0 H GLU A 6 -8.615 5.037 3.385 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.841 2.848 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.810 3.731 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.177 4.804 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.313 6.053 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.993 4.957 6.155 1.00 0.00 H new ATOM 101 N GLU A 7 -10.007 2.823 4.758 1.00 0.00 N ATOM 102 CA GLU A 7 -11.078 1.966 5.163 1.00 0.00 C ATOM 103 C GLU A 7 -11.083 0.660 4.444 1.00 0.00 C ATOM 104 O GLU A 7 -11.257 -0.407 5.030 1.00 0.00 O ATOM 105 CB GLU A 7 -12.400 2.725 4.962 1.00 0.00 C ATOM 106 CG GLU A 7 -13.689 1.900 4.960 1.00 0.00 C ATOM 107 CD GLU A 7 -14.907 2.807 5.059 1.00 0.00 C ATOM 108 OE1 GLU A 7 -15.178 3.326 6.175 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.619 2.995 4.037 1.00 0.00 O ATOM 0 H GLU A 7 -10.328 3.716 4.385 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.944 1.712 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.481 3.476 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.341 3.261 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.745 1.306 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.681 1.201 5.796 1.00 0.00 H new ATOM 116 N LYS A 8 -10.844 0.697 3.121 1.00 0.00 N ATOM 117 CA LYS A 8 -10.749 -0.449 2.269 1.00 0.00 C ATOM 118 C LYS A 8 -9.360 -0.973 2.145 1.00 0.00 C ATOM 119 O LYS A 8 -9.176 -2.155 1.857 1.00 0.00 O ATOM 120 CB LYS A 8 -11.410 -0.137 0.917 1.00 0.00 C ATOM 121 CG LYS A 8 -12.729 -0.876 0.682 1.00 0.00 C ATOM 122 CD LYS A 8 -13.793 -0.659 1.761 1.00 0.00 C ATOM 123 CE LYS A 8 -15.151 -1.292 1.450 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.867 -0.492 0.432 1.00 0.00 N ATOM 0 H LYS A 8 -10.710 1.574 2.618 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.298 -1.269 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.590 0.936 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.715 -0.393 0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.138 -0.562 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.522 -1.943 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.425 -1.065 2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.931 0.412 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.011 -2.311 1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.748 -1.355 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.787 -0.932 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.016 0.473 0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.302 -0.454 -0.440 1.00 0.00 H new ATOM 138 N ALA A 9 -8.301 -0.188 2.407 1.00 0.00 N ATOM 139 CA ALA A 9 -6.969 -0.703 2.476 1.00 0.00 C ATOM 140 C ALA A 9 -6.762 -1.641 3.616 1.00 0.00 C ATOM 141 O ALA A 9 -6.224 -2.738 3.479 1.00 0.00 O ATOM 142 CB ALA A 9 -5.897 0.380 2.681 1.00 0.00 C ATOM 0 H ALA A 9 -8.369 0.816 2.573 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.860 -1.198 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.913 -0.086 2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.929 1.085 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.088 0.909 3.614 1.00 0.00 H new ATOM 148 N LYS A 10 -7.232 -1.219 4.804 1.00 0.00 N ATOM 149 CA LYS A 10 -7.205 -2.032 5.979 1.00 0.00 C ATOM 150 C LYS A 10 -8.070 -3.243 5.891 1.00 0.00 C ATOM 151 O LYS A 10 -7.848 -4.213 6.613 1.00 0.00 O ATOM 152 CB LYS A 10 -7.658 -1.142 7.149 1.00 0.00 C ATOM 153 CG LYS A 10 -6.588 -0.163 7.636 1.00 0.00 C ATOM 154 CD LYS A 10 -7.045 0.634 8.860 1.00 0.00 C ATOM 155 CE LYS A 10 -8.127 1.675 8.567 1.00 0.00 C ATOM 156 NZ LYS A 10 -8.659 2.269 9.813 1.00 0.00 N ATOM 0 H LYS A 10 -7.639 -0.295 4.950 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.192 -2.412 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.540 -0.578 6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.959 -1.779 7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.680 -0.713 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.335 0.526 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.420 -0.061 9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.181 1.138 9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.715 2.461 7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.939 1.210 8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.390 2.970 9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.074 1.521 10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.888 2.734 10.333 1.00 0.00 H new ATOM 170 N ALA A 11 -9.038 -3.265 4.958 1.00 0.00 N ATOM 171 CA ALA A 11 -9.752 -4.447 4.590 1.00 0.00 C ATOM 172 C ALA A 11 -8.871 -5.364 3.813 1.00 0.00 C ATOM 173 O ALA A 11 -8.633 -6.489 4.252 1.00 0.00 O ATOM 174 CB ALA A 11 -11.019 -4.168 3.762 1.00 0.00 C ATOM 0 H ALA A 11 -9.333 -2.435 4.444 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.065 -4.907 5.528 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.510 -5.110 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.700 -3.543 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.746 -3.653 2.841 1.00 0.00 H new ATOM 180 N VAL A 12 -8.315 -4.948 2.661 1.00 0.00 N ATOM 181 CA VAL A 12 -7.609 -5.796 1.752 1.00 0.00 C ATOM 182 C VAL A 12 -6.393 -6.416 2.348 1.00 0.00 C ATOM 183 O VAL A 12 -6.052 -7.558 2.047 1.00 0.00 O ATOM 184 CB VAL A 12 -7.322 -5.176 0.416 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.665 -4.863 -0.264 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.423 -3.931 0.498 1.00 0.00 C ATOM 0 H VAL A 12 -8.360 -3.978 2.350 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.313 -6.604 1.553 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.752 -5.889 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.483 -4.411 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.232 -5.785 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.234 -4.171 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.257 -3.535 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.908 -3.172 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.466 -4.202 0.944 1.00 0.00 H new ATOM 196 N ASN A 13 -5.740 -5.724 3.299 1.00 0.00 N ATOM 197 CA ASN A 13 -4.619 -6.260 4.007 1.00 0.00 C ATOM 198 C ASN A 13 -4.950 -7.373 4.941 1.00 0.00 C ATOM 199 O ASN A 13 -4.081 -8.189 5.248 1.00 0.00 O ATOM 200 CB ASN A 13 -3.884 -5.146 4.771 1.00 0.00 C ATOM 201 CG ASN A 13 -3.175 -4.258 3.760 1.00 0.00 C ATOM 202 OD1 ASN A 13 -2.638 -4.756 2.771 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.112 -2.923 4.015 1.00 0.00 N ATOM 0 H ASN A 13 -5.994 -4.777 3.581 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.975 -6.690 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.590 -4.561 5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.165 -5.575 5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.609 -2.305 3.378 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.568 -2.540 4.843 1.00 0.00 H new ATOM 210 N GLU A 14 -6.207 -7.476 5.406 1.00 0.00 N ATOM 211 CA GLU A 14 -6.644 -8.510 6.292 1.00 0.00 C ATOM 212 C GLU A 14 -7.900 -9.156 5.817 1.00 0.00 C ATOM 213 O GLU A 14 -8.723 -9.618 6.605 1.00 0.00 O ATOM 214 CB GLU A 14 -6.828 -7.996 7.730 1.00 0.00 C ATOM 215 CG GLU A 14 -5.557 -7.422 8.357 1.00 0.00 C ATOM 216 CD GLU A 14 -5.724 -7.150 9.845 1.00 0.00 C ATOM 217 OE1 GLU A 14 -6.806 -6.643 10.247 1.00 0.00 O ATOM 218 OE2 GLU A 14 -4.791 -7.449 10.637 1.00 0.00 O ATOM 0 H GLU A 14 -6.945 -6.817 5.157 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.854 -9.260 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.601 -7.227 7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.190 -8.814 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.733 -8.119 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.288 -6.496 7.848 1.00 0.00 H new ATOM 225 N LEU A 15 -8.105 -9.280 4.494 1.00 0.00 N ATOM 226 CA LEU A 15 -9.193 -10.009 3.919 1.00 0.00 C ATOM 227 C LEU A 15 -8.958 -11.474 4.050 1.00 0.00 C ATOM 228 O LEU A 15 -7.813 -11.879 4.253 1.00 0.00 O ATOM 229 CB LEU A 15 -9.387 -9.589 2.452 1.00 0.00 C ATOM 230 CG LEU A 15 -10.414 -8.470 2.212 1.00 0.00 C ATOM 231 CD1 LEU A 15 -10.478 -8.103 0.720 1.00 0.00 C ATOM 232 CD2 LEU A 15 -11.844 -8.776 2.690 1.00 0.00 C ATOM 0 H LEU A 15 -7.490 -8.857 3.798 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.112 -9.776 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.425 -9.266 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.690 -10.465 1.879 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.049 -7.641 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.210 -7.310 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.498 -7.759 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.771 -8.980 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.490 -7.925 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.220 -9.657 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.836 -8.963 3.764 1.00 0.00 H new ATOM 244 N PRO A 16 -9.926 -12.339 3.998 1.00 0.00 N ATOM 245 CA PRO A 16 -9.723 -13.744 4.203 1.00 0.00 C ATOM 246 C PRO A 16 -9.092 -14.369 3.006 1.00 0.00 C ATOM 247 O PRO A 16 -8.433 -15.400 3.130 1.00 0.00 O ATOM 248 CB PRO A 16 -11.137 -14.277 4.423 1.00 0.00 C ATOM 249 CG PRO A 16 -12.033 -13.374 3.561 1.00 0.00 C ATOM 250 CD PRO A 16 -11.291 -12.029 3.595 1.00 0.00 C ATOM 0 HA PRO A 16 -9.054 -13.963 5.035 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.218 -15.321 4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.420 -14.228 5.475 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.134 -13.755 2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.039 -13.292 3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.310 -11.547 2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.760 -11.341 4.299 1.00 0.00 H new ATOM 258 N THR A 17 -9.269 -13.750 1.826 1.00 0.00 N ATOM 259 CA THR A 17 -8.579 -14.077 0.617 1.00 0.00 C ATOM 260 C THR A 17 -7.527 -13.024 0.546 1.00 0.00 C ATOM 261 O THR A 17 -7.672 -11.945 -0.025 1.00 0.00 O ATOM 262 CB THR A 17 -9.479 -14.059 -0.583 1.00 0.00 C ATOM 263 OG1 THR A 17 -10.532 -14.998 -0.418 1.00 0.00 O ATOM 264 CG2 THR A 17 -8.741 -14.460 -1.871 1.00 0.00 C ATOM 0 H THR A 17 -9.928 -12.981 1.709 1.00 0.00 H new ATOM 0 HA THR A 17 -8.176 -15.090 0.619 1.00 0.00 H new ATOM 0 HB THR A 17 -9.849 -13.037 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.115 -14.978 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.434 -14.432 -2.711 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.922 -13.764 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.343 -15.469 -1.763 1.00 0.00 H new ATOM 272 N LYS A 18 -6.430 -13.303 1.274 1.00 0.00 N ATOM 273 CA LYS A 18 -5.315 -12.437 1.502 1.00 0.00 C ATOM 274 C LYS A 18 -4.600 -12.042 0.255 1.00 0.00 C ATOM 275 O LYS A 18 -4.689 -12.798 -0.710 1.00 0.00 O ATOM 276 CB LYS A 18 -4.359 -13.133 2.486 1.00 0.00 C ATOM 277 CG LYS A 18 -5.063 -13.526 3.786 1.00 0.00 C ATOM 278 CD LYS A 18 -4.198 -14.276 4.800 1.00 0.00 C ATOM 279 CE LYS A 18 -3.098 -13.423 5.435 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.659 -14.042 6.705 1.00 0.00 N ATOM 0 H LYS A 18 -6.316 -14.204 1.738 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.693 -11.504 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.940 -14.023 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.524 -12.469 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.446 -12.622 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.924 -14.147 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.840 -14.668 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.739 -15.133 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.254 -13.333 4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.467 -12.414 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.911 -13.460 7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.466 -14.105 7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.290 -14.996 6.517 1.00 0.00 H new ATOM 294 N PRO A 19 -3.902 -10.951 0.157 1.00 0.00 N ATOM 295 CA PRO A 19 -3.411 -10.449 -1.094 1.00 0.00 C ATOM 296 C PRO A 19 -2.465 -11.351 -1.809 1.00 0.00 C ATOM 297 O PRO A 19 -1.647 -12.003 -1.161 1.00 0.00 O ATOM 298 CB PRO A 19 -2.672 -9.165 -0.722 1.00 0.00 C ATOM 299 CG PRO A 19 -3.470 -8.625 0.476 1.00 0.00 C ATOM 300 CD PRO A 19 -3.869 -9.927 1.189 1.00 0.00 C ATOM 0 HA PRO A 19 -4.249 -10.325 -1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.634 -9.362 -0.456 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.660 -8.455 -1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.867 -7.977 1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.339 -8.046 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.151 -10.181 1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.841 -9.826 1.671 1.00 0.00 H new ATOM 308 N SER A 20 -2.531 -11.430 -3.150 1.00 0.00 N ATOM 309 CA SER A 20 -1.638 -12.217 -3.942 1.00 0.00 C ATOM 310 C SER A 20 -0.294 -11.598 -4.110 1.00 0.00 C ATOM 311 O SER A 20 -0.109 -10.395 -3.933 1.00 0.00 O ATOM 312 CB SER A 20 -2.209 -12.538 -5.333 1.00 0.00 C ATOM 313 OG SER A 20 -3.370 -13.344 -5.200 1.00 0.00 O ATOM 0 H SER A 20 -3.229 -10.930 -3.701 1.00 0.00 H new ATOM 0 HA SER A 20 -1.524 -13.142 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.454 -11.615 -5.858 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.461 -13.057 -5.933 1.00 0.00 H new ATOM 0 HG SER A 20 -3.732 -13.545 -6.088 1.00 0.00 H new ATOM 319 N THR A 21 0.720 -12.415 -4.447 1.00 0.00 N ATOM 320 CA THR A 21 2.109 -12.121 -4.285 1.00 0.00 C ATOM 321 C THR A 21 2.628 -10.949 -5.046 1.00 0.00 C ATOM 322 O THR A 21 3.459 -10.195 -4.544 1.00 0.00 O ATOM 323 CB THR A 21 2.968 -13.338 -4.460 1.00 0.00 C ATOM 324 OG1 THR A 21 4.269 -13.191 -3.908 1.00 0.00 O ATOM 325 CG2 THR A 21 3.145 -13.764 -5.927 1.00 0.00 C ATOM 0 H THR A 21 0.559 -13.335 -4.857 1.00 0.00 H new ATOM 0 HA THR A 21 2.181 -11.797 -3.247 1.00 0.00 H new ATOM 0 HB THR A 21 2.416 -14.107 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.780 -14.015 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.778 -14.650 -5.975 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.171 -13.990 -6.360 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.612 -12.954 -6.487 1.00 0.00 H new ATOM 333 N ASP A 22 2.173 -10.706 -6.289 1.00 0.00 N ATOM 334 CA ASP A 22 2.601 -9.589 -7.072 1.00 0.00 C ATOM 335 C ASP A 22 1.749 -8.382 -6.873 1.00 0.00 C ATOM 336 O ASP A 22 2.189 -7.256 -7.096 1.00 0.00 O ATOM 337 CB ASP A 22 2.605 -9.939 -8.569 1.00 0.00 C ATOM 338 CG ASP A 22 3.474 -11.168 -8.791 1.00 0.00 C ATOM 339 OD1 ASP A 22 4.716 -11.065 -8.606 1.00 0.00 O ATOM 340 OD2 ASP A 22 2.907 -12.237 -9.144 1.00 0.00 O ATOM 0 H ASP A 22 1.491 -11.301 -6.760 1.00 0.00 H new ATOM 0 HA ASP A 22 3.610 -9.357 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.589 -10.130 -8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.986 -9.099 -9.150 1.00 0.00 H new ATOM 345 N GLU A 23 0.492 -8.582 -6.439 1.00 0.00 N ATOM 346 CA GLU A 23 -0.519 -7.589 -6.248 1.00 0.00 C ATOM 347 C GLU A 23 -0.207 -6.754 -5.054 1.00 0.00 C ATOM 348 O GLU A 23 -0.155 -5.528 -5.133 1.00 0.00 O ATOM 349 CB GLU A 23 -1.916 -8.206 -6.060 1.00 0.00 C ATOM 350 CG GLU A 23 -2.418 -9.057 -7.228 1.00 0.00 C ATOM 351 CD GLU A 23 -2.719 -8.260 -8.489 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.749 -7.536 -8.526 1.00 0.00 O ATOM 353 OE2 GLU A 23 -1.957 -8.377 -9.486 1.00 0.00 O ATOM 0 H GLU A 23 0.157 -9.516 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.529 -6.978 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.905 -8.823 -5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.630 -7.401 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.670 -9.815 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.321 -9.584 -6.919 1.00 0.00 H new ATOM 360 N LEU A 24 0.080 -7.396 -3.907 1.00 0.00 N ATOM 361 CA LEU A 24 0.508 -6.820 -2.670 1.00 0.00 C ATOM 362 C LEU A 24 1.520 -5.730 -2.760 1.00 0.00 C ATOM 363 O LEU A 24 1.463 -4.732 -2.044 1.00 0.00 O ATOM 364 CB LEU A 24 1.099 -7.992 -1.869 1.00 0.00 C ATOM 365 CG LEU A 24 1.564 -7.691 -0.434 1.00 0.00 C ATOM 366 CD1 LEU A 24 0.442 -7.058 0.406 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.047 -9.005 0.204 1.00 0.00 C ATOM 0 H LEU A 24 0.005 -8.411 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.353 -6.332 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.351 -8.783 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.949 -8.388 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 24 2.378 -6.967 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.809 -6.860 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.126 -6.122 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.405 -7.742 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.382 -8.813 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.228 -9.724 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.874 -9.410 -0.379 1.00 0.00 H new ATOM 379 N LEU A 25 2.491 -5.865 -3.679 1.00 0.00 N ATOM 380 CA LEU A 25 3.570 -4.961 -3.935 1.00 0.00 C ATOM 381 C LEU A 25 3.180 -3.696 -4.619 1.00 0.00 C ATOM 382 O LEU A 25 3.574 -2.596 -4.235 1.00 0.00 O ATOM 383 CB LEU A 25 4.552 -5.740 -4.826 1.00 0.00 C ATOM 384 CG LEU A 25 4.931 -7.128 -4.282 1.00 0.00 C ATOM 385 CD1 LEU A 25 6.050 -7.711 -5.161 1.00 0.00 C ATOM 386 CD2 LEU A 25 5.333 -7.174 -2.798 1.00 0.00 C ATOM 0 H LEU A 25 2.523 -6.677 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 25 3.989 -4.640 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.112 -5.858 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.460 -5.150 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 25 4.024 -7.731 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.330 -8.696 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.697 -7.799 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.917 -7.052 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.580 -8.198 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.201 -6.535 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.503 -6.821 -2.185 1.00 0.00 H new ATOM 398 N GLU A 26 2.345 -3.812 -5.668 1.00 0.00 N ATOM 399 CA GLU A 26 1.728 -2.739 -6.384 1.00 0.00 C ATOM 400 C GLU A 26 0.824 -1.945 -5.506 1.00 0.00 C ATOM 401 O GLU A 26 0.785 -0.716 -5.554 1.00 0.00 O ATOM 402 CB GLU A 26 0.942 -3.336 -7.563 1.00 0.00 C ATOM 403 CG GLU A 26 0.464 -2.365 -8.644 1.00 0.00 C ATOM 404 CD GLU A 26 1.552 -1.979 -9.635 1.00 0.00 C ATOM 405 OE1 GLU A 26 2.171 -2.887 -10.253 1.00 0.00 O ATOM 406 OE2 GLU A 26 1.825 -0.761 -9.809 1.00 0.00 O ATOM 0 H GLU A 26 2.083 -4.724 -6.042 1.00 0.00 H new ATOM 0 HA GLU A 26 2.499 -2.059 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.568 -4.091 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.070 -3.852 -7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.367 -2.817 -9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.081 -1.463 -8.167 1.00 0.00 H new ATOM 413 N LEU A 27 0.081 -2.642 -4.629 1.00 0.00 N ATOM 414 CA LEU A 27 -0.856 -2.108 -3.690 1.00 0.00 C ATOM 415 C LEU A 27 -0.198 -1.556 -2.473 1.00 0.00 C ATOM 416 O LEU A 27 -0.713 -0.609 -1.879 1.00 0.00 O ATOM 417 CB LEU A 27 -1.920 -3.156 -3.323 1.00 0.00 C ATOM 418 CG LEU A 27 -3.107 -3.285 -4.293 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.059 -2.082 -4.190 1.00 0.00 C ATOM 420 CD2 LEU A 27 -2.730 -3.524 -5.764 1.00 0.00 C ATOM 0 H LEU A 27 0.141 -3.659 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.352 -1.270 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.432 -4.128 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.310 -2.917 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.614 -4.191 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.884 -2.210 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.451 -2.014 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.517 -1.168 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.637 -3.600 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.125 -2.692 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.160 -4.450 -5.848 1.00 0.00 H new ATOM 432 N TYR A 28 0.977 -2.061 -2.055 1.00 0.00 N ATOM 433 CA TYR A 28 1.858 -1.502 -1.077 1.00 0.00 C ATOM 434 C TYR A 28 2.162 -0.081 -1.406 1.00 0.00 C ATOM 435 O TYR A 28 1.928 0.794 -0.574 1.00 0.00 O ATOM 436 CB TYR A 28 3.147 -2.321 -0.894 1.00 0.00 C ATOM 437 CG TYR A 28 4.268 -1.676 -0.156 1.00 0.00 C ATOM 438 CD1 TYR A 28 5.088 -0.784 -0.807 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.514 -1.941 1.171 1.00 0.00 C ATOM 440 CE1 TYR A 28 6.071 -0.091 -0.140 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.557 -1.333 1.828 1.00 0.00 C ATOM 442 CZ TYR A 28 6.323 -0.395 1.177 1.00 0.00 C ATOM 443 OH TYR A 28 7.373 0.267 1.848 1.00 0.00 O ATOM 0 H TYR A 28 1.340 -2.935 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 28 1.339 -1.539 -0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.889 -3.244 -0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.511 -2.602 -1.882 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.957 -0.624 -1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.880 -2.635 1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.636 0.680 -0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.774 -1.592 2.854 1.00 0.00 H new ATOM 0 HH TYR A 28 7.303 1.232 1.693 1.00 0.00 H new ATOM 453 N ALA A 29 2.662 0.190 -2.625 1.00 0.00 N ATOM 454 CA ALA A 29 3.018 1.505 -3.061 1.00 0.00 C ATOM 455 C ALA A 29 1.936 2.504 -2.834 1.00 0.00 C ATOM 456 O ALA A 29 2.137 3.505 -2.150 1.00 0.00 O ATOM 457 CB ALA A 29 3.441 1.464 -4.540 1.00 0.00 C ATOM 0 H ALA A 29 2.824 -0.529 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 29 3.861 1.837 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.712 2.467 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.298 0.801 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.613 1.095 -5.145 1.00 0.00 H new ATOM 463 N LEU A 30 0.709 2.233 -3.315 1.00 0.00 N ATOM 464 CA LEU A 30 -0.430 3.061 -3.069 1.00 0.00 C ATOM 465 C LEU A 30 -0.879 3.167 -1.652 1.00 0.00 C ATOM 466 O LEU A 30 -1.213 4.248 -1.167 1.00 0.00 O ATOM 467 CB LEU A 30 -1.603 2.529 -3.909 1.00 0.00 C ATOM 468 CG LEU A 30 -1.639 3.115 -5.330 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.262 2.072 -6.396 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.041 3.695 -5.587 1.00 0.00 C ATOM 0 H LEU A 30 0.504 1.416 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.115 4.068 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.535 1.443 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.540 2.761 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.893 3.907 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.301 2.531 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.253 1.706 -6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.964 1.239 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.082 4.115 -6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.785 2.904 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.250 4.478 -4.858 1.00 0.00 H new ATOM 482 N TYR A 31 -0.929 2.046 -0.911 1.00 0.00 N ATOM 483 CA TYR A 31 -1.325 2.021 0.463 1.00 0.00 C ATOM 484 C TYR A 31 -0.474 2.927 1.284 1.00 0.00 C ATOM 485 O TYR A 31 -0.949 3.866 1.922 1.00 0.00 O ATOM 486 CB TYR A 31 -1.345 0.596 1.041 1.00 0.00 C ATOM 487 CG TYR A 31 -1.743 0.618 2.477 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.838 1.328 2.909 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.894 0.064 3.407 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.133 1.424 4.247 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.168 0.176 4.750 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.300 0.836 5.170 1.00 0.00 C ATOM 493 OH TYR A 31 -2.581 0.972 6.546 1.00 0.00 O ATOM 0 H TYR A 31 -0.686 1.127 -1.280 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.350 2.390 0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.041 -0.022 0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.359 0.142 0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.475 1.817 2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.008 -0.461 3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.014 1.958 4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.494 -0.255 5.476 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.900 0.498 7.067 1.00 0.00 H new ATOM 503 N LYS A 32 0.851 2.696 1.253 1.00 0.00 N ATOM 504 CA LYS A 32 1.871 3.489 1.865 1.00 0.00 C ATOM 505 C LYS A 32 1.866 4.912 1.423 1.00 0.00 C ATOM 506 O LYS A 32 2.045 5.794 2.260 1.00 0.00 O ATOM 507 CB LYS A 32 3.245 2.826 1.673 1.00 0.00 C ATOM 508 CG LYS A 32 3.360 1.422 2.269 1.00 0.00 C ATOM 509 CD LYS A 32 3.086 1.269 3.768 1.00 0.00 C ATOM 510 CE LYS A 32 3.903 2.213 4.651 1.00 0.00 C ATOM 511 NZ LYS A 32 4.008 1.680 6.027 1.00 0.00 N ATOM 0 H LYS A 32 1.237 1.891 0.761 1.00 0.00 H new ATOM 0 HA LYS A 32 1.649 3.528 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.463 2.773 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.007 3.462 2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.670 0.771 1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.366 1.053 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.026 1.443 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.296 0.241 4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.899 2.343 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.435 3.197 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.566 2.335 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.056 1.579 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.476 0.751 6.005 1.00 0.00 H new ATOM 525 N GLN A 33 1.575 5.204 0.142 1.00 0.00 N ATOM 526 CA GLN A 33 1.441 6.536 -0.361 1.00 0.00 C ATOM 527 C GLN A 33 0.477 7.365 0.415 1.00 0.00 C ATOM 528 O GLN A 33 0.848 8.397 0.974 1.00 0.00 O ATOM 529 CB GLN A 33 0.968 6.632 -1.822 1.00 0.00 C ATOM 530 CG GLN A 33 2.058 6.490 -2.885 1.00 0.00 C ATOM 531 CD GLN A 33 1.430 6.397 -4.268 1.00 0.00 C ATOM 532 OE1 GLN A 33 0.683 7.279 -4.690 1.00 0.00 O ATOM 533 NE2 GLN A 33 1.721 5.292 -5.005 1.00 0.00 N ATOM 0 H GLN A 33 1.428 4.487 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 33 2.462 6.907 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.218 5.860 -1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.474 7.593 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.734 7.344 -2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.656 5.600 -2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.344 4.577 -4.629 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.316 5.178 -5.934 1.00 0.00 H new ATOM 542 N ALA A 34 -0.800 6.952 0.495 1.00 0.00 N ATOM 543 CA ALA A 34 -1.776 7.754 1.164 1.00 0.00 C ATOM 544 C ALA A 34 -1.833 7.511 2.633 1.00 0.00 C ATOM 545 O ALA A 34 -2.443 8.295 3.357 1.00 0.00 O ATOM 546 CB ALA A 34 -3.155 7.671 0.487 1.00 0.00 C ATOM 0 H ALA A 34 -1.153 6.078 0.104 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.442 8.786 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.865 8.296 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.077 8.020 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.502 6.638 0.494 1.00 0.00 H new ATOM 552 N THR A 35 -1.156 6.470 3.149 1.00 0.00 N ATOM 553 CA THR A 35 -0.986 6.266 4.554 1.00 0.00 C ATOM 554 C THR A 35 -0.144 7.332 5.168 1.00 0.00 C ATOM 555 O THR A 35 -0.579 8.029 6.083 1.00 0.00 O ATOM 556 CB THR A 35 -0.407 4.928 4.907 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.331 3.906 4.563 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.214 4.778 6.426 1.00 0.00 C ATOM 0 H THR A 35 -0.715 5.751 2.575 1.00 0.00 H new ATOM 0 HA THR A 35 -1.996 6.308 4.961 1.00 0.00 H new ATOM 0 HB THR A 35 0.542 4.850 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.446 3.883 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.207 3.797 6.644 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.465 5.552 6.785 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.177 4.879 6.927 1.00 0.00 H new ATOM 566 N VAL A 36 1.112 7.506 4.719 1.00 0.00 N ATOM 567 CA VAL A 36 1.941 8.579 5.173 1.00 0.00 C ATOM 568 C VAL A 36 1.790 9.848 4.406 1.00 0.00 C ATOM 569 O VAL A 36 1.505 10.898 4.980 1.00 0.00 O ATOM 570 CB VAL A 36 3.379 8.191 5.353 1.00 0.00 C ATOM 571 CG1 VAL A 36 3.902 7.289 4.222 1.00 0.00 C ATOM 572 CG2 VAL A 36 4.288 9.401 5.623 1.00 0.00 C ATOM 0 H VAL A 36 1.557 6.896 4.034 1.00 0.00 H new ATOM 0 HA VAL A 36 1.553 8.799 6.168 1.00 0.00 H new ATOM 0 HB VAL A 36 3.415 7.581 6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.947 7.042 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.313 6.372 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.817 7.813 3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.317 9.063 5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.231 10.094 4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.961 9.906 6.532 1.00 0.00 H new ATOM 582 N GLY A 37 1.997 9.812 3.077 1.00 0.00 N ATOM 583 CA GLY A 37 1.944 10.955 2.221 1.00 0.00 C ATOM 584 C GLY A 37 3.233 11.350 1.588 1.00 0.00 C ATOM 585 O GLY A 37 3.253 12.197 0.696 1.00 0.00 O ATOM 0 H GLY A 37 2.211 8.948 2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.218 10.761 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.570 11.801 2.798 1.00 0.00 H new ATOM 589 N ASP A 38 4.356 10.747 2.017 1.00 0.00 N ATOM 590 CA ASP A 38 5.648 10.902 1.425 1.00 0.00 C ATOM 591 C ASP A 38 6.211 9.531 1.271 1.00 0.00 C ATOM 592 O ASP A 38 5.759 8.603 1.938 1.00 0.00 O ATOM 593 CB ASP A 38 6.602 11.680 2.347 1.00 0.00 C ATOM 594 CG ASP A 38 6.278 13.163 2.442 1.00 0.00 C ATOM 595 OD1 ASP A 38 6.386 13.881 1.411 1.00 0.00 O ATOM 596 OD2 ASP A 38 6.037 13.665 3.572 1.00 0.00 O ATOM 0 H ASP A 38 4.362 10.118 2.820 1.00 0.00 H new ATOM 0 HA ASP A 38 5.550 11.443 0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.566 11.244 3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.623 11.562 1.984 1.00 0.00 H new ATOM 601 N ASN A 39 7.257 9.324 0.451 1.00 0.00 N ATOM 602 CA ASN A 39 8.073 8.153 0.534 1.00 0.00 C ATOM 603 C ASN A 39 8.892 8.062 1.775 1.00 0.00 C ATOM 604 O ASN A 39 10.083 8.368 1.808 1.00 0.00 O ATOM 605 CB ASN A 39 8.939 7.952 -0.722 1.00 0.00 C ATOM 606 CG ASN A 39 9.980 9.041 -0.935 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.781 10.222 -0.653 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.172 8.642 -1.454 1.00 0.00 N ATOM 0 H ASN A 39 7.540 9.978 -0.279 1.00 0.00 H new ATOM 0 HA ASN A 39 7.361 7.329 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.444 6.989 -0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.289 7.908 -1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.913 9.325 -1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.325 7.660 -1.684 1.00 0.00 H new ATOM 615 N ASP A 40 8.289 7.642 2.901 1.00 0.00 N ATOM 616 CA ASP A 40 8.816 7.862 4.212 1.00 0.00 C ATOM 617 C ASP A 40 9.934 6.961 4.608 1.00 0.00 C ATOM 618 O ASP A 40 11.007 7.409 5.010 1.00 0.00 O ATOM 619 CB ASP A 40 7.625 7.784 5.184 1.00 0.00 C ATOM 620 CG ASP A 40 7.895 8.382 6.557 1.00 0.00 C ATOM 621 OD1 ASP A 40 8.767 9.276 6.718 1.00 0.00 O ATOM 622 OD2 ASP A 40 7.194 7.953 7.512 1.00 0.00 O ATOM 0 H ASP A 40 7.405 7.132 2.899 1.00 0.00 H new ATOM 0 HA ASP A 40 9.291 8.843 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.773 8.298 4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.339 6.739 5.306 1.00 0.00 H new ATOM 627 N LYS A 41 9.745 5.631 4.534 1.00 0.00 N ATOM 628 CA LYS A 41 10.692 4.692 5.051 1.00 0.00 C ATOM 629 C LYS A 41 11.756 4.339 4.070 1.00 0.00 C ATOM 630 O LYS A 41 11.723 3.268 3.466 1.00 0.00 O ATOM 631 CB LYS A 41 9.986 3.387 5.454 1.00 0.00 C ATOM 632 CG LYS A 41 8.859 3.505 6.482 1.00 0.00 C ATOM 633 CD LYS A 41 9.276 3.957 7.883 1.00 0.00 C ATOM 634 CE LYS A 41 9.185 5.473 8.072 1.00 0.00 C ATOM 635 NZ LYS A 41 9.348 5.880 9.486 1.00 0.00 N ATOM 0 H LYS A 41 8.923 5.201 4.109 1.00 0.00 H new ATOM 0 HA LYS A 41 11.153 5.179 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.578 2.928 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.736 2.702 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.118 4.207 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.367 2.536 6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.643 3.465 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.299 3.633 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.952 5.958 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.220 5.824 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.278 6.915 9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.602 5.441 10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.279 5.570 9.831 1.00 0.00 H new ATOM 649 N GLU A 42 12.803 5.171 3.927 1.00 0.00 N ATOM 650 CA GLU A 42 13.878 4.978 3.003 1.00 0.00 C ATOM 651 C GLU A 42 14.906 4.064 3.576 1.00 0.00 C ATOM 652 O GLU A 42 16.106 4.326 3.632 1.00 0.00 O ATOM 653 CB GLU A 42 14.418 6.345 2.552 1.00 0.00 C ATOM 654 CG GLU A 42 15.340 6.332 1.330 1.00 0.00 C ATOM 655 CD GLU A 42 15.582 7.718 0.749 1.00 0.00 C ATOM 656 OE1 GLU A 42 15.950 8.648 1.514 1.00 0.00 O ATOM 657 OE2 GLU A 42 15.439 7.894 -0.490 1.00 0.00 O ATOM 0 H GLU A 42 12.905 6.020 4.483 1.00 0.00 H new ATOM 0 HA GLU A 42 13.524 4.476 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.570 6.995 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.959 6.793 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.296 5.890 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.905 5.693 0.561 1.00 0.00 H new ATOM 664 N LYS A 43 14.418 2.903 4.048 1.00 0.00 N ATOM 665 CA LYS A 43 15.140 1.838 4.670 1.00 0.00 C ATOM 666 C LYS A 43 14.352 0.588 4.481 1.00 0.00 C ATOM 667 O LYS A 43 13.540 0.232 5.334 1.00 0.00 O ATOM 668 CB LYS A 43 15.349 2.147 6.162 1.00 0.00 C ATOM 669 CG LYS A 43 16.432 1.304 6.840 1.00 0.00 C ATOM 670 CD LYS A 43 16.456 1.537 8.352 1.00 0.00 C ATOM 671 CE LYS A 43 17.733 1.069 9.053 1.00 0.00 C ATOM 672 NZ LYS A 43 18.828 2.043 8.845 1.00 0.00 N ATOM 0 H LYS A 43 13.422 2.693 3.987 1.00 0.00 H new ATOM 0 HA LYS A 43 16.127 1.720 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 43 15.607 3.201 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.406 1.994 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.254 0.248 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 43 17.406 1.551 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.322 2.602 8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.604 1.024 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.545 0.947 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.029 0.093 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.686 1.709 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.018 2.139 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.550 2.967 9.234 1.00 0.00 H new ATOM 686 N PRO A 44 14.454 -0.113 3.391 1.00 0.00 N ATOM 687 CA PRO A 44 13.890 -1.424 3.243 1.00 0.00 C ATOM 688 C PRO A 44 14.794 -2.453 3.827 1.00 0.00 C ATOM 689 O PRO A 44 15.694 -2.084 4.582 1.00 0.00 O ATOM 690 CB PRO A 44 13.695 -1.516 1.732 1.00 0.00 C ATOM 691 CG PRO A 44 14.836 -0.697 1.107 1.00 0.00 C ATOM 692 CD PRO A 44 15.127 0.355 2.190 1.00 0.00 C ATOM 0 HA PRO A 44 12.954 -1.598 3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.730 -2.553 1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.723 -1.118 1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.709 -1.314 0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.536 -0.237 0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 44 16.199 0.457 2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.756 1.336 1.892 1.00 0.00 H new ATOM 700 N GLY A 45 14.632 -3.763 3.570 1.00 0.00 N ATOM 701 CA GLY A 45 15.509 -4.729 4.156 1.00 0.00 C ATOM 702 C GLY A 45 16.847 -4.826 3.509 1.00 0.00 C ATOM 703 O GLY A 45 17.186 -4.084 2.589 1.00 0.00 O ATOM 0 H GLY A 45 13.906 -4.149 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.646 -4.484 5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.029 -5.707 4.116 1.00 0.00 H new ATOM 707 N ILE A 46 17.675 -5.772 3.986 1.00 0.00 N ATOM 708 CA ILE A 46 19.047 -5.894 3.598 1.00 0.00 C ATOM 709 C ILE A 46 19.159 -6.956 2.560 1.00 0.00 C ATOM 710 O ILE A 46 19.645 -6.732 1.453 1.00 0.00 O ATOM 711 CB ILE A 46 19.996 -6.032 4.752 1.00 0.00 C ATOM 712 CG1 ILE A 46 20.058 -7.402 5.448 1.00 0.00 C ATOM 713 CG2 ILE A 46 19.631 -4.941 5.775 1.00 0.00 C ATOM 714 CD1 ILE A 46 21.036 -7.470 6.621 1.00 0.00 C ATOM 0 H ILE A 46 17.381 -6.475 4.664 1.00 0.00 H new ATOM 0 HA ILE A 46 19.374 -4.956 3.151 1.00 0.00 H new ATOM 0 HB ILE A 46 20.996 -5.923 4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 46 19.061 -7.659 5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.338 -8.157 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 46 20.301 -5.008 6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.731 -3.960 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 46 18.602 -5.082 6.106 1.00 0.00 H new ATOM 0 HD11 ILE A 46 21.016 -8.470 7.054 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.043 -7.247 6.269 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.747 -6.742 7.378 1.00 0.00 H new ATOM 726 N PHE A 47 18.617 -8.152 2.849 1.00 0.00 N ATOM 727 CA PHE A 47 18.537 -9.265 1.954 1.00 0.00 C ATOM 728 C PHE A 47 17.225 -9.288 1.250 1.00 0.00 C ATOM 729 O PHE A 47 16.934 -10.217 0.498 1.00 0.00 O ATOM 730 CB PHE A 47 18.819 -10.594 2.675 1.00 0.00 C ATOM 731 CG PHE A 47 18.149 -10.708 4.001 1.00 0.00 C ATOM 732 CD1 PHE A 47 16.787 -10.866 4.104 1.00 0.00 C ATOM 733 CD2 PHE A 47 18.900 -10.632 5.151 1.00 0.00 C ATOM 734 CE1 PHE A 47 16.175 -10.890 5.334 1.00 0.00 C ATOM 735 CE2 PHE A 47 18.299 -10.652 6.387 1.00 0.00 C ATOM 736 CZ PHE A 47 16.932 -10.768 6.477 1.00 0.00 C ATOM 0 H PHE A 47 18.210 -8.354 3.762 1.00 0.00 H new ATOM 0 HA PHE A 47 19.315 -9.142 1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 47 18.493 -11.418 2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 47 19.895 -10.703 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 47 16.192 -10.972 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 47 19.975 -10.556 5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 47 15.103 -11.004 5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 47 18.898 -10.577 7.283 1.00 0.00 H new ATOM 0 HZ PHE A 47 16.452 -10.763 7.445 1.00 0.00 H new ATOM 746 N ASN A 48 16.381 -8.260 1.448 1.00 0.00 N ATOM 747 CA ASN A 48 15.048 -8.213 0.929 1.00 0.00 C ATOM 748 C ASN A 48 15.016 -8.171 -0.560 1.00 0.00 C ATOM 749 O ASN A 48 15.600 -7.287 -1.184 1.00 0.00 O ATOM 750 CB ASN A 48 14.192 -7.089 1.535 1.00 0.00 C ATOM 751 CG ASN A 48 12.737 -7.532 1.588 1.00 0.00 C ATOM 752 OD1 ASN A 48 12.078 -7.723 0.566 1.00 0.00 O ATOM 753 ND2 ASN A 48 12.204 -7.741 2.821 1.00 0.00 N ATOM 0 H ASN A 48 16.634 -7.433 1.988 1.00 0.00 H new ATOM 0 HA ASN A 48 14.592 -9.152 1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.546 -6.847 2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.286 -6.183 0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.240 -8.062 2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.768 -7.577 3.655 1.00 0.00 H new ATOM 760 N MET A 49 14.361 -9.150 -1.208 1.00 0.00 N ATOM 761 CA MET A 49 14.284 -9.219 -2.635 1.00 0.00 C ATOM 762 C MET A 49 13.162 -8.389 -3.157 1.00 0.00 C ATOM 763 O MET A 49 13.274 -7.745 -4.198 1.00 0.00 O ATOM 764 CB MET A 49 14.115 -10.673 -3.105 1.00 0.00 C ATOM 765 CG MET A 49 15.312 -11.565 -2.766 1.00 0.00 C ATOM 766 SD MET A 49 16.898 -11.017 -3.464 1.00 0.00 S ATOM 767 CE MET A 49 16.532 -11.351 -5.212 1.00 0.00 C ATOM 0 H MET A 49 13.875 -9.910 -0.732 1.00 0.00 H new ATOM 0 HA MET A 49 15.220 -8.825 -3.030 1.00 0.00 H new ATOM 0 HB2 MET A 49 13.218 -11.092 -2.649 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.958 -10.682 -4.184 1.00 0.00 H new ATOM 0 HG2 MET A 49 15.409 -11.621 -1.682 1.00 0.00 H new ATOM 0 HG3 MET A 49 15.106 -12.575 -3.120 1.00 0.00 H new ATOM 0 HE1 MET A 49 17.456 -11.319 -5.790 1.00 0.00 H new ATOM 0 HE2 MET A 49 16.079 -12.338 -5.307 1.00 0.00 H new ATOM 0 HE3 MET A 49 15.842 -10.597 -5.590 1.00 0.00 H new ATOM 777 N LYS A 50 12.038 -8.364 -2.418 1.00 0.00 N ATOM 778 CA LYS A 50 10.827 -7.691 -2.775 1.00 0.00 C ATOM 779 C LYS A 50 10.912 -6.217 -2.574 1.00 0.00 C ATOM 780 O LYS A 50 10.644 -5.433 -3.482 1.00 0.00 O ATOM 781 CB LYS A 50 9.664 -8.233 -1.926 1.00 0.00 C ATOM 782 CG LYS A 50 9.365 -9.722 -2.107 1.00 0.00 C ATOM 783 CD LYS A 50 8.938 -10.106 -3.526 1.00 0.00 C ATOM 784 CE LYS A 50 8.490 -11.566 -3.619 1.00 0.00 C ATOM 785 NZ LYS A 50 8.190 -11.955 -5.016 1.00 0.00 N ATOM 0 H LYS A 50 11.971 -8.841 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 50 10.660 -7.880 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.886 -8.048 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.765 -7.666 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.253 -10.295 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.577 -10.011 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.124 -9.457 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.769 -9.938 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.271 -12.213 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.605 -11.716 -3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.889 -12.950 -5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.428 -11.353 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.042 -11.835 -5.600 1.00 0.00 H new ATOM 799 N ASP A 51 11.295 -5.780 -1.361 1.00 0.00 N ATOM 800 CA ASP A 51 11.272 -4.413 -0.941 1.00 0.00 C ATOM 801 C ASP A 51 12.055 -3.488 -1.808 1.00 0.00 C ATOM 802 O ASP A 51 11.610 -2.370 -2.067 1.00 0.00 O ATOM 803 CB ASP A 51 11.743 -4.219 0.511 1.00 0.00 C ATOM 804 CG ASP A 51 10.858 -4.841 1.581 1.00 0.00 C ATOM 805 OD1 ASP A 51 9.813 -5.471 1.269 1.00 0.00 O ATOM 806 OD2 ASP A 51 11.193 -4.652 2.781 1.00 0.00 O ATOM 0 H ASP A 51 11.638 -6.412 -0.637 1.00 0.00 H new ATOM 0 HA ASP A 51 10.217 -4.153 -1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.745 -4.636 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.823 -3.150 0.708 1.00 0.00 H new ATOM 811 N ARG A 52 13.218 -3.906 -2.337 1.00 0.00 N ATOM 812 CA ARG A 52 14.012 -3.133 -3.242 1.00 0.00 C ATOM 813 C ARG A 52 13.293 -2.584 -4.425 1.00 0.00 C ATOM 814 O ARG A 52 13.473 -1.420 -4.780 1.00 0.00 O ATOM 815 CB ARG A 52 15.229 -3.926 -3.746 1.00 0.00 C ATOM 816 CG ARG A 52 16.250 -4.259 -2.657 1.00 0.00 C ATOM 817 CD ARG A 52 17.497 -4.949 -3.217 1.00 0.00 C ATOM 818 NE ARG A 52 18.398 -5.269 -2.074 1.00 0.00 N ATOM 819 CZ ARG A 52 19.349 -4.427 -1.577 1.00 0.00 C ATOM 820 NH1 ARG A 52 19.600 -3.199 -2.118 1.00 0.00 N ATOM 821 NH2 ARG A 52 20.093 -4.795 -0.493 1.00 0.00 N ATOM 0 H ARG A 52 13.622 -4.819 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 52 14.317 -2.281 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.882 -4.854 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.724 -3.353 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.544 -3.342 -2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.785 -4.904 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.222 -5.858 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 52 18.003 -4.300 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 52 18.296 -6.183 -1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.066 -2.879 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 52 20.321 -2.601 -1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.938 -5.702 -0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.803 -4.163 -0.124 1.00 0.00 H new ATOM 835 N TYR A 53 12.426 -3.370 -5.088 1.00 0.00 N ATOM 836 CA TYR A 53 11.703 -2.900 -6.228 1.00 0.00 C ATOM 837 C TYR A 53 10.419 -2.225 -5.886 1.00 0.00 C ATOM 838 O TYR A 53 10.078 -1.207 -6.484 1.00 0.00 O ATOM 839 CB TYR A 53 11.586 -3.942 -7.352 1.00 0.00 C ATOM 840 CG TYR A 53 10.793 -5.169 -7.058 1.00 0.00 C ATOM 841 CD1 TYR A 53 11.399 -6.291 -6.545 1.00 0.00 C ATOM 842 CD2 TYR A 53 9.475 -5.240 -7.443 1.00 0.00 C ATOM 843 CE1 TYR A 53 10.708 -7.476 -6.442 1.00 0.00 C ATOM 844 CE2 TYR A 53 8.776 -6.419 -7.344 1.00 0.00 C ATOM 845 CZ TYR A 53 9.397 -7.543 -6.851 1.00 0.00 C ATOM 846 OH TYR A 53 8.709 -8.775 -6.800 1.00 0.00 O ATOM 0 H TYR A 53 12.225 -4.337 -4.832 1.00 0.00 H new ATOM 0 HA TYR A 53 12.321 -2.108 -6.651 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.145 -3.454 -8.221 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.593 -4.249 -7.635 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.428 -6.242 -6.220 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.983 -4.359 -7.828 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.195 -8.353 -6.040 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.742 -6.463 -7.652 1.00 0.00 H new ATOM 0 HH TYR A 53 7.792 -8.651 -7.123 1.00 0.00 H new ATOM 856 N LYS A 54 9.646 -2.708 -4.897 1.00 0.00 N ATOM 857 CA LYS A 54 8.396 -2.094 -4.572 1.00 0.00 C ATOM 858 C LYS A 54 8.460 -0.925 -3.651 1.00 0.00 C ATOM 859 O LYS A 54 7.540 -0.109 -3.629 1.00 0.00 O ATOM 860 CB LYS A 54 7.266 -3.076 -4.218 1.00 0.00 C ATOM 861 CG LYS A 54 7.483 -4.075 -3.080 1.00 0.00 C ATOM 862 CD LYS A 54 7.486 -3.508 -1.658 1.00 0.00 C ATOM 863 CE LYS A 54 7.162 -4.590 -0.627 1.00 0.00 C ATOM 864 NZ LYS A 54 7.590 -4.170 0.726 1.00 0.00 N ATOM 0 H LYS A 54 9.884 -3.519 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 54 8.114 -1.658 -5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.382 -2.487 -3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.032 -3.646 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.704 -4.835 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.435 -4.580 -3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.462 -3.075 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.756 -2.702 -1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.091 -4.791 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.661 -5.520 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.299 -4.839 1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.004 -3.217 0.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.768 -4.159 1.362 1.00 0.00 H new ATOM 878 N TRP A 55 9.567 -0.700 -2.921 1.00 0.00 N ATOM 879 CA TRP A 55 9.822 0.568 -2.311 1.00 0.00 C ATOM 880 C TRP A 55 10.148 1.584 -3.353 1.00 0.00 C ATOM 881 O TRP A 55 9.759 2.747 -3.264 1.00 0.00 O ATOM 882 CB TRP A 55 10.922 0.527 -1.238 1.00 0.00 C ATOM 883 CG TRP A 55 10.947 1.767 -0.376 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.193 2.045 0.726 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.627 2.991 -0.711 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.237 3.386 1.004 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.157 3.973 0.168 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.536 3.300 -1.686 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.612 5.261 0.092 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.992 4.595 -1.749 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.547 5.556 -0.872 1.00 0.00 C ATOM 0 H TRP A 55 10.289 -1.400 -2.753 1.00 0.00 H new ATOM 0 HA TRP A 55 8.905 0.850 -1.793 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.772 -0.347 -0.604 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.891 0.407 -1.722 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.641 1.313 1.297 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.681 3.867 1.711 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.883 2.551 -2.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.249 6.021 0.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.716 4.864 -2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.939 6.560 -0.942 1.00 0.00 H new ATOM 902 N GLU A 56 10.821 1.194 -4.449 1.00 0.00 N ATOM 903 CA GLU A 56 11.113 2.096 -5.520 1.00 0.00 C ATOM 904 C GLU A 56 9.932 2.343 -6.394 1.00 0.00 C ATOM 905 O GLU A 56 9.828 3.365 -7.072 1.00 0.00 O ATOM 906 CB GLU A 56 12.369 1.644 -6.285 1.00 0.00 C ATOM 907 CG GLU A 56 13.080 2.799 -6.995 1.00 0.00 C ATOM 908 CD GLU A 56 14.476 2.406 -7.454 1.00 0.00 C ATOM 909 OE1 GLU A 56 14.617 1.333 -8.100 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.451 3.146 -7.152 1.00 0.00 O ATOM 0 H GLU A 56 11.166 0.245 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 56 11.345 3.070 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.061 1.170 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.089 0.889 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.490 3.115 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.146 3.654 -6.322 1.00 0.00 H new ATOM 917 N ALA A 57 8.927 1.450 -6.368 1.00 0.00 N ATOM 918 CA ALA A 57 7.627 1.674 -6.922 1.00 0.00 C ATOM 919 C ALA A 57 6.820 2.647 -6.133 1.00 0.00 C ATOM 920 O ALA A 57 5.932 3.319 -6.655 1.00 0.00 O ATOM 921 CB ALA A 57 6.849 0.352 -7.036 1.00 0.00 C ATOM 0 H ALA A 57 9.025 0.529 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 57 7.790 2.100 -7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.863 0.545 -7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.393 -0.336 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.738 -0.091 -6.046 1.00 0.00 H new ATOM 927 N TRP A 58 7.130 2.800 -4.833 1.00 0.00 N ATOM 928 CA TRP A 58 6.540 3.733 -3.925 1.00 0.00 C ATOM 929 C TRP A 58 7.176 5.063 -4.140 1.00 0.00 C ATOM 930 O TRP A 58 6.513 6.081 -4.327 1.00 0.00 O ATOM 931 CB TRP A 58 6.678 3.264 -2.467 1.00 0.00 C ATOM 932 CG TRP A 58 6.020 4.126 -1.415 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.080 5.101 -1.585 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.323 4.100 -0.009 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.816 5.728 -0.396 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.585 5.137 0.578 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.134 3.297 0.745 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.690 5.380 1.920 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.190 3.524 2.100 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.485 4.552 2.678 1.00 0.00 C ATOM 0 H TRP A 58 7.846 2.228 -4.385 1.00 0.00 H new ATOM 0 HA TRP A 58 5.470 3.808 -4.119 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.264 2.259 -2.392 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.740 3.190 -2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.610 5.344 -2.526 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.163 6.499 -0.258 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.713 2.508 0.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.160 6.204 2.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.799 2.883 2.721 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.556 4.712 3.744 1.00 0.00 H new ATOM 951 N GLU A 59 8.519 5.084 -4.208 1.00 0.00 N ATOM 952 CA GLU A 59 9.380 6.170 -4.562 1.00 0.00 C ATOM 953 C GLU A 59 9.054 6.811 -5.867 1.00 0.00 C ATOM 954 O GLU A 59 9.402 7.962 -6.127 1.00 0.00 O ATOM 955 CB GLU A 59 10.842 5.703 -4.647 1.00 0.00 C ATOM 956 CG GLU A 59 11.879 6.824 -4.551 1.00 0.00 C ATOM 957 CD GLU A 59 13.179 6.512 -5.277 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.202 6.592 -6.534 1.00 0.00 O ATOM 959 OE2 GLU A 59 14.207 6.261 -4.592 1.00 0.00 O ATOM 0 H GLU A 59 9.058 4.246 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 59 9.229 6.903 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.027 4.986 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.986 5.174 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.453 7.739 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.096 7.018 -3.501 1.00 0.00 H new ATOM 966 N ASN A 60 8.341 6.130 -6.782 1.00 0.00 N ATOM 967 CA ASN A 60 7.904 6.723 -8.007 1.00 0.00 C ATOM 968 C ASN A 60 6.866 7.774 -7.812 1.00 0.00 C ATOM 969 O ASN A 60 6.732 8.669 -8.645 1.00 0.00 O ATOM 970 CB ASN A 60 7.445 5.622 -8.978 1.00 0.00 C ATOM 971 CG ASN A 60 7.548 6.101 -10.418 1.00 0.00 C ATOM 972 OD1 ASN A 60 8.595 6.585 -10.846 1.00 0.00 O ATOM 973 ND2 ASN A 60 6.442 5.963 -11.197 1.00 0.00 N ATOM 0 H ASN A 60 8.064 5.155 -6.670 1.00 0.00 H new ATOM 0 HA ASN A 60 8.753 7.247 -8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.057 4.731 -8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.416 5.339 -8.756 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.463 6.265 -12.171 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.591 5.557 -10.807 1.00 0.00 H new ATOM 980 N LEU A 61 6.098 7.732 -6.709 1.00 0.00 N ATOM 981 CA LEU A 61 5.077 8.686 -6.404 1.00 0.00 C ATOM 982 C LEU A 61 5.354 9.454 -5.157 1.00 0.00 C ATOM 983 O LEU A 61 4.465 10.076 -4.577 1.00 0.00 O ATOM 984 CB LEU A 61 3.672 8.065 -6.382 1.00 0.00 C ATOM 985 CG LEU A 61 2.949 8.235 -7.729 1.00 0.00 C ATOM 986 CD1 LEU A 61 3.463 7.259 -8.802 1.00 0.00 C ATOM 987 CD2 LEU A 61 1.424 8.100 -7.579 1.00 0.00 C ATOM 0 H LEU A 61 6.192 7.004 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 61 5.096 9.402 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.747 7.004 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.082 8.530 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 61 3.177 9.247 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.919 7.422 -9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.527 7.429 -8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.308 6.234 -8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.950 8.226 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.183 7.113 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.057 8.865 -6.895 1.00 0.00 H new ATOM 999 N LYS A 62 6.628 9.463 -4.725 1.00 0.00 N ATOM 1000 CA LYS A 62 7.220 10.073 -3.575 1.00 0.00 C ATOM 1001 C LYS A 62 6.663 11.299 -2.938 1.00 0.00 C ATOM 1002 O LYS A 62 6.757 11.412 -1.716 1.00 0.00 O ATOM 1003 CB LYS A 62 8.736 10.221 -3.794 1.00 0.00 C ATOM 1004 CG LYS A 62 9.218 10.726 -5.155 1.00 0.00 C ATOM 1005 CD LYS A 62 9.065 12.221 -5.437 1.00 0.00 C ATOM 1006 CE LYS A 62 9.935 13.155 -4.593 1.00 0.00 C ATOM 1007 NZ LYS A 62 11.368 12.830 -4.777 1.00 0.00 N ATOM 0 H LYS A 62 7.340 8.970 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 62 6.930 9.349 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.119 10.899 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.196 9.249 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.272 10.469 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.680 10.179 -5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.292 12.397 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.021 12.494 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.751 14.191 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.666 13.061 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.951 13.571 -4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.576 11.914 -4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.584 12.776 -5.793 1.00 0.00 H new ATOM 1021 N GLY A 63 6.101 12.255 -3.700 1.00 0.00 N ATOM 1022 CA GLY A 63 5.614 13.512 -3.222 1.00 0.00 C ATOM 1023 C GLY A 63 4.191 13.791 -3.561 1.00 0.00 C ATOM 1024 O GLY A 63 3.517 14.524 -2.839 1.00 0.00 O ATOM 0 H GLY A 63 5.980 12.144 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.729 13.544 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.235 14.308 -3.632 1.00 0.00 H new ATOM 1028 N LYS A 64 3.649 13.240 -4.662 1.00 0.00 N ATOM 1029 CA LYS A 64 2.320 13.543 -5.095 1.00 0.00 C ATOM 1030 C LYS A 64 1.304 12.598 -4.552 1.00 0.00 C ATOM 1031 O LYS A 64 0.096 12.788 -4.684 1.00 0.00 O ATOM 1032 CB LYS A 64 2.269 13.548 -6.632 1.00 0.00 C ATOM 1033 CG LYS A 64 2.267 12.162 -7.279 1.00 0.00 C ATOM 1034 CD LYS A 64 2.815 12.143 -8.708 1.00 0.00 C ATOM 1035 CE LYS A 64 2.162 13.084 -9.721 1.00 0.00 C ATOM 1036 NZ LYS A 64 0.789 12.652 -10.065 1.00 0.00 N ATOM 0 H LYS A 64 4.140 12.575 -5.260 1.00 0.00 H new ATOM 0 HA LYS A 64 2.069 14.530 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.374 14.083 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.125 14.108 -7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.859 11.484 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.247 11.777 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.878 12.379 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.729 11.125 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.134 14.094 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.769 13.122 -10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.487 13.122 -10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.773 11.621 -10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.141 12.909 -9.294 1.00 0.00 H new ATOM 1050 N SER A 65 1.826 11.568 -3.861 1.00 0.00 N ATOM 1051 CA SER A 65 1.201 10.467 -3.197 1.00 0.00 C ATOM 1052 C SER A 65 -0.194 10.662 -2.713 1.00 0.00 C ATOM 1053 O SER A 65 -1.125 9.994 -3.163 1.00 0.00 O ATOM 1054 CB SER A 65 2.029 10.148 -1.941 1.00 0.00 C ATOM 1055 OG SER A 65 3.279 9.538 -2.226 1.00 0.00 O ATOM 0 H SER A 65 2.839 11.505 -3.757 1.00 0.00 H new ATOM 0 HA SER A 65 1.157 9.688 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.202 11.070 -1.386 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.452 9.489 -1.293 1.00 0.00 H new ATOM 0 HG SER A 65 3.588 9.823 -3.111 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.413 11.593 -1.767 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.631 11.703 -1.026 1.00 0.00 C ATOM 1063 C GLN A 66 -2.831 12.133 -1.798 1.00 0.00 C ATOM 1064 O GLN A 66 -3.966 11.981 -1.351 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.373 12.654 0.156 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.894 11.994 1.434 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.545 12.764 2.700 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.633 13.987 2.803 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.122 12.000 3.742 1.00 0.00 N ATOM 0 H GLN A 66 0.282 12.293 -1.509 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.891 10.696 -0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.307 12.865 0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.874 13.608 -0.009 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.977 11.894 1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.484 10.986 1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.055 10.988 3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.871 12.439 4.628 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.615 12.676 -3.010 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.643 12.994 -3.953 1.00 0.00 C ATOM 1080 C GLU A 67 -3.880 11.879 -4.911 1.00 0.00 C ATOM 1081 O GLU A 67 -5.023 11.605 -5.272 1.00 0.00 O ATOM 1082 CB GLU A 67 -3.334 14.291 -4.719 1.00 0.00 C ATOM 1083 CG GLU A 67 -3.244 15.495 -3.780 1.00 0.00 C ATOM 1084 CD GLU A 67 -3.299 16.804 -4.556 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -2.337 17.111 -5.309 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -4.318 17.535 -4.430 1.00 0.00 O ATOM 0 H GLU A 67 -1.680 12.904 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.554 13.147 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.394 14.180 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.110 14.468 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.063 15.461 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.316 15.446 -3.210 1.00 0.00 H new ATOM 1093 N ASP A 68 -2.833 11.192 -5.402 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.025 10.294 -6.498 1.00 0.00 C ATOM 1095 C ASP A 68 -3.296 8.891 -6.073 1.00 0.00 C ATOM 1096 O ASP A 68 -4.059 8.192 -6.739 1.00 0.00 O ATOM 1097 CB ASP A 68 -1.824 10.360 -7.456 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.988 11.622 -8.291 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -3.012 11.733 -9.017 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.092 12.507 -8.250 1.00 0.00 O ATOM 0 H ASP A 68 -1.877 11.254 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.922 10.624 -7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.888 10.386 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.791 9.477 -8.094 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.731 8.476 -4.925 1.00 0.00 N ATOM 1106 CA ALA A 69 -2.970 7.211 -4.303 1.00 0.00 C ATOM 1107 C ALA A 69 -4.420 6.938 -4.094 1.00 0.00 C ATOM 1108 O ALA A 69 -4.982 6.050 -4.734 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.264 7.234 -2.937 1.00 0.00 C ATOM 0 H ALA A 69 -2.072 9.054 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.589 6.424 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.423 6.283 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.196 7.393 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.672 8.042 -2.330 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.104 7.765 -3.283 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.509 7.682 -3.034 1.00 0.00 C ATOM 1117 C GLU A 70 -7.420 7.416 -4.182 1.00 0.00 C ATOM 1118 O GLU A 70 -8.307 6.569 -4.081 1.00 0.00 O ATOM 1119 CB GLU A 70 -6.966 8.908 -2.225 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.638 10.240 -2.902 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.697 11.326 -2.771 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -8.773 11.104 -2.155 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.468 12.441 -3.311 1.00 0.00 O ATOM 0 H GLU A 70 -4.655 8.528 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.610 6.759 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.042 8.847 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.494 8.882 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.704 10.617 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.463 10.055 -3.962 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.250 8.078 -5.342 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.135 8.007 -6.463 1.00 0.00 C ATOM 1132 C LYS A 71 -7.834 6.884 -7.394 1.00 0.00 C ATOM 1133 O LYS A 71 -8.722 6.401 -8.096 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.026 9.305 -7.281 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.343 10.594 -6.519 1.00 0.00 C ATOM 1136 CD LYS A 71 -7.898 11.784 -7.371 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.097 13.174 -6.763 1.00 0.00 C ATOM 1138 NZ LYS A 71 -7.039 13.450 -5.765 1.00 0.00 N ATOM 0 H LYS A 71 -6.454 8.694 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.130 7.851 -6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.014 9.379 -7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.700 9.233 -8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.411 10.657 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.828 10.602 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.840 11.661 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.437 11.746 -8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.073 13.930 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.078 13.236 -6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.683 14.418 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.431 13.351 -4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.258 12.774 -5.891 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.581 6.398 -7.446 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.274 5.186 -8.142 1.00 0.00 C ATOM 1154 C GLU A 72 -6.648 4.005 -7.315 1.00 0.00 C ATOM 1155 O GLU A 72 -7.125 3.008 -7.854 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.792 5.152 -8.551 1.00 0.00 C ATOM 1157 CG GLU A 72 -4.427 6.084 -9.708 1.00 0.00 C ATOM 1158 CD GLU A 72 -4.659 5.502 -11.095 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -5.822 5.173 -11.452 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -3.675 5.387 -11.874 1.00 0.00 O ATOM 0 H GLU A 72 -5.778 6.846 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.863 5.148 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.184 5.414 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.529 4.131 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.007 7.002 -9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.376 6.360 -9.616 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.496 4.072 -5.980 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.690 2.988 -5.068 1.00 0.00 C ATOM 1169 C TYR A 73 -8.047 2.375 -5.078 1.00 0.00 C ATOM 1170 O TYR A 73 -8.166 1.157 -5.204 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.407 3.444 -3.627 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.044 2.306 -2.737 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.898 1.592 -2.993 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.800 1.992 -1.632 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.450 0.634 -2.114 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.383 1.003 -0.773 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.200 0.339 -1.000 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.734 -0.670 -0.132 1.00 0.00 O ATOM 0 H TYR A 73 -6.221 4.935 -5.510 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.990 2.227 -5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.596 4.173 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.287 3.948 -3.228 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.341 1.786 -3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.721 2.522 -1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.519 0.119 -2.297 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.987 0.746 0.084 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.891 -1.034 -0.476 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.112 3.189 -4.966 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.480 2.796 -5.112 1.00 0.00 C ATOM 1190 C ILE A 74 -10.768 1.797 -6.179 1.00 0.00 C ATOM 1191 O ILE A 74 -11.330 0.733 -5.928 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.319 4.030 -5.268 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.814 3.729 -5.459 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -10.817 4.973 -6.375 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.719 4.955 -5.353 1.00 0.00 C ATOM 0 H ILE A 74 -9.011 4.183 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.738 2.255 -4.202 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.207 4.551 -4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.958 3.268 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.124 2.997 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.469 5.845 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.801 5.295 -6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.825 4.449 -7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.757 4.655 -5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.608 5.405 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.439 5.681 -6.117 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.324 2.076 -7.418 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.572 1.266 -8.571 1.00 0.00 C ATOM 1209 C ALA A 75 -9.726 0.044 -8.676 1.00 0.00 C ATOM 1210 O ALA A 75 -10.104 -0.924 -9.334 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.395 2.176 -9.799 1.00 0.00 C ATOM 0 H ALA A 75 -9.766 2.905 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.584 0.867 -8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.575 1.601 -10.707 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.105 3.001 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.380 2.572 -9.815 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.562 0.002 -8.002 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.785 -1.189 -7.853 1.00 0.00 C ATOM 1219 C LEU A 76 -8.407 -2.117 -6.867 1.00 0.00 C ATOM 1220 O LEU A 76 -8.609 -3.304 -7.121 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.384 -0.915 -7.279 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.472 -0.013 -8.128 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.262 0.336 -7.246 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -5.034 -0.678 -9.445 1.00 0.00 C ATOM 0 H LEU A 76 -8.151 0.818 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.731 -1.608 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.499 -0.459 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.881 -1.870 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.014 0.882 -8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.579 0.978 -7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.602 0.857 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.746 -0.580 -6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.393 0.005 -10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.485 -1.594 -9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.914 -0.917 -10.042 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.749 -1.593 -5.677 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.254 -2.312 -4.549 1.00 0.00 C ATOM 1238 C VAL A 77 -10.612 -2.855 -4.835 1.00 0.00 C ATOM 1239 O VAL A 77 -10.991 -3.899 -4.306 1.00 0.00 O ATOM 1240 CB VAL A 77 -9.141 -1.466 -3.315 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.973 -2.022 -2.147 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.650 -1.470 -2.939 1.00 0.00 C ATOM 0 H VAL A 77 -8.666 -0.594 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.647 -3.195 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.523 -0.464 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.858 -1.375 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.024 -2.060 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.628 -3.026 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.499 -0.868 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.326 -2.493 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.067 -1.052 -3.759 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.357 -2.263 -5.786 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.537 -2.843 -6.347 1.00 0.00 C ATOM 1254 C ASP A 78 -12.317 -4.189 -6.947 1.00 0.00 C ATOM 1255 O ASP A 78 -13.053 -5.138 -6.683 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.103 -1.888 -7.412 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.615 -1.744 -7.327 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.076 -0.836 -6.585 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.361 -2.519 -7.983 1.00 0.00 O ATOM 0 H ASP A 78 -11.130 -1.349 -6.178 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.242 -2.987 -5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.642 -0.907 -7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.832 -2.253 -8.403 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.245 -4.329 -7.748 1.00 0.00 N ATOM 1265 CA GLN A 79 -10.818 -5.535 -8.387 1.00 0.00 C ATOM 1266 C GLN A 79 -10.173 -6.503 -7.456 1.00 0.00 C ATOM 1267 O GLN A 79 -10.223 -7.712 -7.678 1.00 0.00 O ATOM 1268 CB GLN A 79 -9.849 -5.242 -9.544 1.00 0.00 C ATOM 1269 CG GLN A 79 -10.533 -4.758 -10.825 1.00 0.00 C ATOM 1270 CD GLN A 79 -11.247 -5.905 -11.525 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -10.628 -6.854 -12.004 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -12.604 -5.839 -11.585 1.00 0.00 N ATOM 0 H GLN A 79 -10.634 -3.542 -7.964 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.731 -5.994 -8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.132 -4.488 -9.221 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.282 -6.146 -9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.248 -3.971 -10.585 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.792 -4.322 -11.495 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.094 -5.041 -11.180 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.132 -6.587 -12.035 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.575 -6.039 -6.344 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.130 -6.861 -5.262 1.00 0.00 C ATOM 1283 C LEU A 80 -10.332 -7.488 -4.643 1.00 0.00 C ATOM 1284 O LEU A 80 -10.481 -8.709 -4.658 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.334 -6.110 -4.181 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.827 -6.001 -4.461 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.454 -4.942 -5.511 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -6.057 -5.743 -3.154 1.00 0.00 C ATOM 0 H LEU A 80 -9.394 -5.047 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.442 -7.598 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.745 -5.106 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.478 -6.614 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.537 -6.961 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.373 -4.931 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.937 -5.182 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.787 -3.961 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.991 -5.668 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.403 -4.812 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.231 -6.566 -2.461 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.278 -6.678 -4.136 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.423 -7.109 -3.394 1.00 0.00 C ATOM 1302 C ILE A 81 -13.366 -7.970 -4.160 1.00 0.00 C ATOM 1303 O ILE A 81 -13.925 -8.917 -3.607 1.00 0.00 O ATOM 1304 CB ILE A 81 -13.089 -5.894 -2.820 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -12.272 -5.424 -1.605 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.575 -6.064 -2.462 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.722 -4.078 -1.038 1.00 0.00 C ATOM 0 H ILE A 81 -11.242 -5.665 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.082 -7.765 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.100 -5.139 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.339 -6.178 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.222 -5.354 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.961 -5.129 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -15.137 -6.329 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.682 -6.854 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -12.097 -3.816 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.628 -3.310 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.762 -4.147 -0.719 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.526 -7.735 -5.474 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.251 -8.587 -6.366 1.00 0.00 C ATOM 1321 C ALA A 82 -13.806 -10.008 -6.367 1.00 0.00 C ATOM 1322 O ALA A 82 -14.601 -10.929 -6.546 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.149 -8.028 -7.796 1.00 0.00 C ATOM 0 H ALA A 82 -13.133 -6.915 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.279 -8.592 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.700 -8.674 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.572 -7.024 -7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.102 -7.989 -8.098 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.506 -10.258 -6.133 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.988 -11.563 -5.862 1.00 0.00 C ATOM 1331 C LYS A 83 -12.067 -11.856 -4.402 1.00 0.00 C ATOM 1332 O LYS A 83 -12.543 -12.904 -3.970 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.535 -11.670 -6.352 1.00 0.00 C ATOM 1334 CG LYS A 83 -10.399 -11.436 -7.858 1.00 0.00 C ATOM 1335 CD LYS A 83 -8.991 -11.698 -8.398 1.00 0.00 C ATOM 1336 CE LYS A 83 -7.904 -10.718 -7.955 1.00 0.00 C ATOM 1337 NZ LYS A 83 -8.182 -9.354 -8.461 1.00 0.00 N ATOM 0 H LYS A 83 -11.792 -9.529 -6.132 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.590 -12.297 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.922 -10.943 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.145 -12.658 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.105 -12.081 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.679 -10.407 -8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.690 -12.702 -8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.035 -11.691 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.846 -10.701 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.934 -11.055 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.321 -8.775 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.481 -9.407 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.939 -8.921 -7.895 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.577 -10.917 -3.573 1.00 0.00 N ATOM 1352 CA TYR A 84 -11.037 -11.180 -2.276 1.00 0.00 C ATOM 1353 C TYR A 84 -11.997 -11.052 -1.143 1.00 0.00 C ATOM 1354 O TYR A 84 -11.675 -11.458 -0.028 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.824 -10.278 -1.992 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.649 -10.467 -2.888 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -8.387 -11.612 -3.602 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.731 -9.446 -2.956 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -7.246 -11.743 -4.358 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.577 -9.560 -3.695 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.339 -10.711 -4.408 1.00 0.00 C ATOM 1362 OH TYR A 84 -5.173 -10.815 -5.196 1.00 0.00 O ATOM 0 H TYR A 84 -11.557 -9.927 -3.819 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.751 -12.231 -2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.145 -9.238 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.503 -10.446 -0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.094 -12.428 -3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.921 -8.531 -2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.063 -12.653 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.862 -8.751 -3.715 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.764 -11.695 -5.060 1.00 0.00 H new ATOM 1372 N SER A 85 -13.208 -10.503 -1.349 1.00 0.00 N ATOM 1373 CA SER A 85 -14.200 -10.410 -0.324 1.00 0.00 C ATOM 1374 C SER A 85 -14.586 -11.717 0.278 1.00 0.00 C ATOM 1375 O SER A 85 -14.473 -11.909 1.487 1.00 0.00 O ATOM 1376 CB SER A 85 -15.465 -9.681 -0.808 1.00 0.00 C ATOM 1377 OG SER A 85 -16.241 -9.182 0.271 1.00 0.00 O ATOM 0 H SER A 85 -13.503 -10.116 -2.245 1.00 0.00 H new ATOM 0 HA SER A 85 -13.717 -9.826 0.459 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.180 -8.856 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.071 -10.364 -1.404 1.00 0.00 H new ATOM 0 HG SER A 85 -17.034 -8.725 -0.080 1.00 0.00 H new ATOM 1383 N SER A 86 -15.030 -12.682 -0.548 1.00 0.00 N ATOM 1384 CA SER A 86 -15.286 -14.019 -0.113 1.00 0.00 C ATOM 1385 C SER A 86 -15.080 -14.969 -1.285 1.00 0.00 C ATOM 1386 O SER A 86 -15.696 -14.774 -2.367 1.00 0.00 O ATOM 1387 CB SER A 86 -16.713 -14.278 0.401 1.00 0.00 C ATOM 1388 OG SER A 86 -16.997 -13.593 1.613 1.00 0.00 O ATOM 1389 OXT SER A 86 -14.305 -15.953 -1.148 1.00 0.00 O ATOM 0 H SER A 86 -15.215 -12.529 -1.539 1.00 0.00 H new ATOM 0 HA SER A 86 -14.598 -14.180 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.429 -13.971 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.850 -15.348 0.554 1.00 0.00 H new ATOM 0 HG SER A 86 -16.250 -12.999 1.836 1.00 0.00 H new TER 1395 SER A 86