USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 430 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 105 THR OG1 : rot 176:sc= -0.865! USER MOD Set 1.2: A 107 GLN :FLIP amide:sc= -4.32! C(o=-6.1!,f=-5.2!) USER MOD Single : A 64 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.8!) USER MOD Single : A 70 HIS : no HE2:sc= -5.42! C(o=-5.4!,f=-7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00926 USER MOD Single : A 72 TYR OH : rot 65:sc= 0.231! USER MOD Single : A 75 SER OG : rot 180:sc= -0.0821 USER MOD Single : A 76 HIS : no HD1:sc= -0.032 X(o=-0.032,f=-0.013) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 99 LYS NZ :NH3+ -129:sc= -2.39 (180deg=-6.8!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0516 USER MOD Single : A 104 THR OG1 : rot 124:sc= 0.672 USER MOD Single : A 114 ASN : amide:sc= -2.36 K(o=-2.4,f=-3.6!) USER MOD Single : A 118 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0466) USER MOD Single : A 120 ASN : amide:sc= -0.0177 K(o=-0.018,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 64 2.332 2.271 12.556 1.00 0.00 N ATOM 2 CA ASN A 64 2.563 1.829 11.184 1.00 0.00 C ATOM 3 C ASN A 64 1.634 2.558 10.232 1.00 0.00 C ATOM 4 O ASN A 64 1.322 2.054 9.153 1.00 0.00 O ATOM 5 CB ASN A 64 2.330 0.323 11.045 1.00 0.00 C ATOM 6 CG ASN A 64 3.537 -0.500 11.451 1.00 0.00 C ATOM 7 OD1 ASN A 64 4.672 -0.026 11.403 1.00 0.00 O ATOM 8 ND2 ASN A 64 3.297 -1.746 11.844 1.00 0.00 N ATOM 0 HA ASN A 64 3.600 2.055 10.935 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.477 0.034 11.658 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.071 0.094 10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.070 -2.351 12.121 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.340 -2.098 11.868 1.00 0.00 H new ATOM 15 N LEU A 65 1.178 3.738 10.632 1.00 0.00 N ATOM 16 CA LEU A 65 0.276 4.499 9.798 1.00 0.00 C ATOM 17 C LEU A 65 1.027 5.283 8.744 1.00 0.00 C ATOM 18 O LEU A 65 2.117 5.805 8.977 1.00 0.00 O ATOM 19 CB LEU A 65 -0.591 5.442 10.623 1.00 0.00 C ATOM 20 CG LEU A 65 -1.334 6.491 9.816 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.236 5.822 8.793 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.137 7.409 10.726 1.00 0.00 C ATOM 0 H LEU A 65 1.418 4.179 11.520 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.374 3.779 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.317 4.851 11.181 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.040 5.946 11.355 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.602 7.103 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.764 6.584 8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.633 5.214 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.959 5.187 9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.660 8.152 10.124 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.863 6.821 11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.464 7.913 11.420 1.00 0.00 H new ATOM 34 N VAL A 66 0.420 5.341 7.580 1.00 0.00 N ATOM 35 CA VAL A 66 0.986 6.038 6.442 1.00 0.00 C ATOM 36 C VAL A 66 0.020 7.062 5.863 1.00 0.00 C ATOM 37 O VAL A 66 -1.086 7.253 6.363 1.00 0.00 O ATOM 38 CB VAL A 66 1.349 5.050 5.335 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.659 4.349 5.646 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.230 4.040 5.124 1.00 0.00 C ATOM 0 H VAL A 66 -0.483 4.905 7.393 1.00 0.00 H new ATOM 0 HA VAL A 66 1.876 6.552 6.804 1.00 0.00 H new ATOM 0 HB VAL A 66 1.478 5.610 4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.897 3.650 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.456 5.088 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.566 3.805 6.586 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.510 3.347 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.061 3.486 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.684 4.563 4.842 1.00 0.00 H new ATOM 50 N ILE A 67 0.449 7.705 4.788 1.00 0.00 N ATOM 51 CA ILE A 67 -0.367 8.695 4.112 1.00 0.00 C ATOM 52 C ILE A 67 -0.131 8.650 2.611 1.00 0.00 C ATOM 53 O ILE A 67 1.001 8.749 2.141 1.00 0.00 O ATOM 54 CB ILE A 67 -0.131 10.122 4.663 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.343 10.525 5.492 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.110 11.127 3.543 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.382 11.980 5.903 1.00 0.00 C ATOM 0 H ILE A 67 1.365 7.556 4.364 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.409 8.444 4.310 1.00 0.00 H new ATOM 0 HB ILE A 67 0.766 10.120 5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.245 10.300 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.371 9.908 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.271 12.117 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.990 10.831 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.758 11.153 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.282 12.169 6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.503 12.212 6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.390 12.609 5.013 1.00 0.00 H new ATOM 69 N ALA A 68 -1.214 8.490 1.869 1.00 0.00 N ATOM 70 CA ALA A 68 -1.139 8.416 0.415 1.00 0.00 C ATOM 71 C ALA A 68 -0.480 9.656 -0.173 1.00 0.00 C ATOM 72 O ALA A 68 -0.587 10.753 0.373 1.00 0.00 O ATOM 73 CB ALA A 68 -2.520 8.214 -0.183 1.00 0.00 C ATOM 0 H ALA A 68 -2.158 8.409 2.248 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.519 7.556 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.442 8.161 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.948 7.286 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.162 9.050 0.095 1.00 0.00 H new ATOM 79 N LEU A 69 0.201 9.467 -1.297 1.00 0.00 N ATOM 80 CA LEU A 69 0.882 10.559 -1.975 1.00 0.00 C ATOM 81 C LEU A 69 0.056 11.060 -3.158 1.00 0.00 C ATOM 82 O LEU A 69 0.175 12.216 -3.565 1.00 0.00 O ATOM 83 CB LEU A 69 2.265 10.102 -2.442 1.00 0.00 C ATOM 84 CG LEU A 69 3.277 9.859 -1.317 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.649 9.514 -1.882 1.00 0.00 C ATOM 86 CD2 LEU A 69 3.367 11.078 -0.412 1.00 0.00 C ATOM 0 H LEU A 69 0.295 8.562 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 69 1.002 11.384 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.153 9.182 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.670 10.853 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 69 2.931 9.010 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.348 9.346 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.576 8.611 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.005 10.338 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.090 10.889 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.686 11.942 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.390 11.278 0.027 1.00 0.00 H new ATOM 98 N HIS A 70 -0.788 10.185 -3.699 1.00 0.00 N ATOM 99 CA HIS A 70 -1.642 10.540 -4.828 1.00 0.00 C ATOM 100 C HIS A 70 -2.998 9.850 -4.720 1.00 0.00 C ATOM 101 O HIS A 70 -3.269 9.145 -3.747 1.00 0.00 O ATOM 102 CB HIS A 70 -0.978 10.173 -6.160 1.00 0.00 C ATOM 103 CG HIS A 70 -0.031 9.017 -6.080 1.00 0.00 C ATOM 104 ND1 HIS A 70 -0.253 7.817 -6.720 1.00 0.00 N ATOM 105 CD2 HIS A 70 1.153 8.886 -5.439 1.00 0.00 C ATOM 106 CE1 HIS A 70 0.751 6.994 -6.472 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.619 7.620 -5.697 1.00 0.00 N ATOM 0 H HIS A 70 -0.898 9.225 -3.373 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.791 11.619 -4.800 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.755 9.941 -6.888 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.439 11.043 -6.536 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.066 7.598 -7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.641 9.637 -4.836 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.846 5.983 -6.840 1.00 0.00 H new ATOM 116 N SER A 71 -3.844 10.053 -5.724 1.00 0.00 N ATOM 117 CA SER A 71 -5.169 9.442 -5.740 1.00 0.00 C ATOM 118 C SER A 71 -5.078 7.996 -6.210 1.00 0.00 C ATOM 119 O SER A 71 -4.537 7.714 -7.279 1.00 0.00 O ATOM 120 CB SER A 71 -6.112 10.230 -6.650 1.00 0.00 C ATOM 121 OG SER A 71 -5.695 11.578 -6.774 1.00 0.00 O ATOM 0 H SER A 71 -3.637 10.635 -6.536 1.00 0.00 H new ATOM 0 HA SER A 71 -5.568 9.459 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.145 9.764 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.124 10.195 -6.247 1.00 0.00 H new ATOM 0 HG SER A 71 -6.314 12.059 -7.362 1.00 0.00 H new ATOM 127 N TYR A 72 -5.595 7.080 -5.401 1.00 0.00 N ATOM 128 CA TYR A 72 -5.549 5.658 -5.741 1.00 0.00 C ATOM 129 C TYR A 72 -6.893 5.132 -6.233 1.00 0.00 C ATOM 130 O TYR A 72 -7.953 5.545 -5.762 1.00 0.00 O ATOM 131 CB TYR A 72 -5.106 4.822 -4.541 1.00 0.00 C ATOM 132 CG TYR A 72 -4.943 3.349 -4.864 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.243 2.935 -5.991 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.497 2.377 -4.044 1.00 0.00 C ATOM 135 CE1 TYR A 72 -4.101 1.592 -6.289 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.358 1.033 -4.335 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.660 0.647 -5.458 1.00 0.00 C ATOM 138 OH TYR A 72 -4.524 -0.690 -5.752 1.00 0.00 O ATOM 0 H TYR A 72 -6.048 7.290 -4.512 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.824 5.565 -6.550 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.160 5.211 -4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.837 4.933 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.803 3.674 -6.644 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.046 2.675 -3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.555 1.286 -7.169 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.795 0.289 -3.685 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.579 -0.943 -5.694 1.00 0.00 H new ATOM 148 N GLU A 73 -6.824 4.192 -7.172 1.00 0.00 N ATOM 149 CA GLU A 73 -8.003 3.563 -7.732 1.00 0.00 C ATOM 150 C GLU A 73 -7.790 2.051 -7.820 1.00 0.00 C ATOM 151 O GLU A 73 -7.216 1.547 -8.786 1.00 0.00 O ATOM 152 CB GLU A 73 -8.295 4.135 -9.103 1.00 0.00 C ATOM 153 CG GLU A 73 -9.615 4.876 -9.177 1.00 0.00 C ATOM 154 CD GLU A 73 -9.753 5.698 -10.444 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.900 5.098 -11.529 1.00 0.00 O ATOM 156 OE2 GLU A 73 -9.713 6.944 -10.351 1.00 0.00 O ATOM 0 H GLU A 73 -5.946 3.849 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.857 3.761 -7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.490 4.813 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.300 3.325 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.434 4.158 -9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.708 5.532 -8.311 1.00 0.00 H new ATOM 163 N PRO A 74 -8.246 1.318 -6.796 1.00 0.00 N ATOM 164 CA PRO A 74 -8.123 -0.134 -6.702 1.00 0.00 C ATOM 165 C PRO A 74 -8.239 -0.839 -8.049 1.00 0.00 C ATOM 166 O PRO A 74 -9.201 -0.639 -8.789 1.00 0.00 O ATOM 167 CB PRO A 74 -9.287 -0.526 -5.775 1.00 0.00 C ATOM 168 CG PRO A 74 -9.902 0.759 -5.302 1.00 0.00 C ATOM 169 CD PRO A 74 -8.923 1.849 -5.628 1.00 0.00 C ATOM 0 HA PRO A 74 -7.142 -0.431 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.019 -1.135 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.930 -1.119 -4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.857 0.936 -5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.099 0.723 -4.231 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.423 2.794 -5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.231 2.034 -4.806 1.00 0.00 H new ATOM 177 N SER A 75 -7.243 -1.666 -8.354 1.00 0.00 N ATOM 178 CA SER A 75 -7.215 -2.408 -9.607 1.00 0.00 C ATOM 179 C SER A 75 -7.145 -3.910 -9.344 1.00 0.00 C ATOM 180 O SER A 75 -7.828 -4.697 -10.000 1.00 0.00 O ATOM 181 CB SER A 75 -6.019 -1.970 -10.453 1.00 0.00 C ATOM 182 OG SER A 75 -4.802 -2.444 -9.900 1.00 0.00 O ATOM 0 H SER A 75 -6.442 -1.838 -7.746 1.00 0.00 H new ATOM 0 HA SER A 75 -8.135 -2.194 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.131 -2.347 -11.470 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.994 -0.882 -10.517 1.00 0.00 H new ATOM 0 HG SER A 75 -4.053 -2.152 -10.460 1.00 0.00 H new ATOM 188 N HIS A 76 -6.317 -4.300 -8.380 1.00 0.00 N ATOM 189 CA HIS A 76 -6.160 -5.708 -8.029 1.00 0.00 C ATOM 190 C HIS A 76 -7.302 -6.175 -7.131 1.00 0.00 C ATOM 191 O HIS A 76 -8.104 -5.368 -6.662 1.00 0.00 O ATOM 192 CB HIS A 76 -4.816 -5.938 -7.330 1.00 0.00 C ATOM 193 CG HIS A 76 -3.800 -6.615 -8.197 1.00 0.00 C ATOM 194 ND1 HIS A 76 -2.985 -7.633 -7.746 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.470 -6.419 -9.496 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.198 -8.031 -8.729 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.473 -7.312 -9.801 1.00 0.00 N ATOM 0 H HIS A 76 -5.744 -3.661 -7.828 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.184 -6.290 -8.950 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.418 -4.978 -7.000 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.979 -6.540 -6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.909 -5.695 -10.167 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.455 -8.812 -8.666 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.018 -7.405 -10.709 1.00 0.00 H new ATOM 206 N ASP A 77 -7.370 -7.482 -6.900 1.00 0.00 N ATOM 207 CA ASP A 77 -8.414 -8.056 -6.058 1.00 0.00 C ATOM 208 C ASP A 77 -8.129 -7.797 -4.582 1.00 0.00 C ATOM 209 O ASP A 77 -6.973 -7.775 -4.159 1.00 0.00 O ATOM 210 CB ASP A 77 -8.531 -9.561 -6.310 1.00 0.00 C ATOM 211 CG ASP A 77 -9.051 -9.876 -7.699 1.00 0.00 C ATOM 212 OD1 ASP A 77 -8.246 -9.854 -8.653 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.264 -10.143 -7.833 1.00 0.00 O ATOM 0 H ASP A 77 -6.715 -8.163 -7.284 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.358 -7.576 -6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.554 -10.026 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.197 -10.000 -5.567 1.00 0.00 H new ATOM 218 N GLY A 78 -9.189 -7.598 -3.804 1.00 0.00 N ATOM 219 CA GLY A 78 -9.026 -7.341 -2.384 1.00 0.00 C ATOM 220 C GLY A 78 -8.187 -6.111 -2.113 1.00 0.00 C ATOM 221 O GLY A 78 -7.423 -6.074 -1.149 1.00 0.00 O ATOM 0 H GLY A 78 -10.155 -7.610 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.007 -7.217 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.561 -8.206 -1.912 1.00 0.00 H new ATOM 225 N ASP A 79 -8.324 -5.101 -2.968 1.00 0.00 N ATOM 226 CA ASP A 79 -7.567 -3.867 -2.816 1.00 0.00 C ATOM 227 C ASP A 79 -8.398 -2.793 -2.124 1.00 0.00 C ATOM 228 O ASP A 79 -9.629 -2.826 -2.155 1.00 0.00 O ATOM 229 CB ASP A 79 -7.100 -3.357 -4.179 1.00 0.00 C ATOM 230 CG ASP A 79 -6.043 -4.249 -4.799 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.190 -5.487 -4.721 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.068 -3.708 -5.361 1.00 0.00 O ATOM 0 H ASP A 79 -8.952 -5.115 -3.772 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.698 -4.085 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.955 -3.291 -4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.702 -2.348 -4.069 1.00 0.00 H new ATOM 237 N LEU A 80 -7.713 -1.837 -1.513 1.00 0.00 N ATOM 238 CA LEU A 80 -8.371 -0.739 -0.822 1.00 0.00 C ATOM 239 C LEU A 80 -8.044 0.581 -1.515 1.00 0.00 C ATOM 240 O LEU A 80 -6.877 0.901 -1.736 1.00 0.00 O ATOM 241 CB LEU A 80 -7.938 -0.702 0.653 1.00 0.00 C ATOM 242 CG LEU A 80 -8.006 0.667 1.337 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.445 1.034 1.673 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.150 0.675 2.593 1.00 0.00 C ATOM 0 H LEU A 80 -6.694 -1.801 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.450 -0.892 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.564 -1.397 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.914 -1.069 0.720 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.617 1.413 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.468 2.010 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.035 1.070 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.864 0.285 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.209 1.655 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.512 -0.086 3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.114 0.462 2.329 1.00 0.00 H new ATOM 256 N GLY A 81 -9.076 1.341 -1.852 1.00 0.00 N ATOM 257 CA GLY A 81 -8.865 2.614 -2.513 1.00 0.00 C ATOM 258 C GLY A 81 -8.813 3.763 -1.532 1.00 0.00 C ATOM 259 O GLY A 81 -9.546 3.779 -0.542 1.00 0.00 O ATOM 0 H GLY A 81 -10.052 1.101 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.934 2.578 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.667 2.787 -3.231 1.00 0.00 H new ATOM 263 N PHE A 82 -7.944 4.724 -1.804 1.00 0.00 N ATOM 264 CA PHE A 82 -7.796 5.880 -0.935 1.00 0.00 C ATOM 265 C PHE A 82 -7.561 7.140 -1.746 1.00 0.00 C ATOM 266 O PHE A 82 -7.471 7.097 -2.973 1.00 0.00 O ATOM 267 CB PHE A 82 -6.639 5.672 0.041 1.00 0.00 C ATOM 268 CG PHE A 82 -5.452 4.973 -0.563 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.495 3.617 -0.842 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.296 5.674 -0.851 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.402 2.976 -1.398 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.199 5.038 -1.406 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.254 3.688 -1.680 1.00 0.00 C ATOM 0 H PHE A 82 -7.331 4.726 -2.619 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.722 5.995 -0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.321 6.641 0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.995 5.093 0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.391 3.054 -0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.248 6.732 -0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.447 1.918 -1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.302 5.598 -1.624 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.401 3.189 -2.114 1.00 0.00 H new ATOM 283 N GLU A 83 -7.463 8.264 -1.052 1.00 0.00 N ATOM 284 CA GLU A 83 -7.240 9.540 -1.706 1.00 0.00 C ATOM 285 C GLU A 83 -5.824 10.040 -1.450 1.00 0.00 C ATOM 286 O GLU A 83 -5.085 9.464 -0.652 1.00 0.00 O ATOM 287 CB GLU A 83 -8.256 10.560 -1.197 1.00 0.00 C ATOM 288 CG GLU A 83 -9.347 10.882 -2.202 1.00 0.00 C ATOM 289 CD GLU A 83 -9.599 12.371 -2.335 1.00 0.00 C ATOM 290 OE1 GLU A 83 -8.647 13.155 -2.131 1.00 0.00 O ATOM 291 OE2 GLU A 83 -10.746 12.754 -2.642 1.00 0.00 O ATOM 0 H GLU A 83 -7.535 8.316 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.365 9.408 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.715 10.180 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.734 11.480 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.070 10.476 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.270 10.387 -1.901 1.00 0.00 H new ATOM 298 N LYS A 84 -5.455 11.122 -2.119 1.00 0.00 N ATOM 299 CA LYS A 84 -4.135 11.706 -1.942 1.00 0.00 C ATOM 300 C LYS A 84 -4.071 12.387 -0.577 1.00 0.00 C ATOM 301 O LYS A 84 -4.959 13.161 -0.218 1.00 0.00 O ATOM 302 CB LYS A 84 -3.837 12.687 -3.077 1.00 0.00 C ATOM 303 CG LYS A 84 -2.761 13.714 -2.751 1.00 0.00 C ATOM 304 CD LYS A 84 -2.914 14.965 -3.598 1.00 0.00 C ATOM 305 CE LYS A 84 -2.331 14.771 -4.988 1.00 0.00 C ATOM 306 NZ LYS A 84 -2.155 16.066 -5.701 1.00 0.00 N ATOM 0 H LYS A 84 -6.049 11.612 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.373 10.927 -1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.530 12.123 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.756 13.211 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.817 13.979 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.776 13.277 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.970 15.225 -3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.416 15.801 -3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.369 14.265 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.986 14.122 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.755 15.891 -6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.077 16.537 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.510 16.676 -5.159 1.00 0.00 H new ATOM 320 N GLY A 85 -3.040 12.063 0.194 1.00 0.00 N ATOM 321 CA GLY A 85 -2.911 12.620 1.529 1.00 0.00 C ATOM 322 C GLY A 85 -3.725 11.833 2.538 1.00 0.00 C ATOM 323 O GLY A 85 -3.582 12.020 3.745 1.00 0.00 O ATOM 0 H GLY A 85 -2.292 11.426 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.862 12.619 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.240 13.659 1.525 1.00 0.00 H new ATOM 327 N GLU A 86 -4.569 10.928 2.036 1.00 0.00 N ATOM 328 CA GLU A 86 -5.392 10.088 2.889 1.00 0.00 C ATOM 329 C GLU A 86 -4.510 9.285 3.823 1.00 0.00 C ATOM 330 O GLU A 86 -3.304 9.183 3.611 1.00 0.00 O ATOM 331 CB GLU A 86 -6.229 9.134 2.031 1.00 0.00 C ATOM 332 CG GLU A 86 -7.646 8.870 2.523 1.00 0.00 C ATOM 333 CD GLU A 86 -8.049 9.686 3.739 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.434 10.862 3.565 1.00 0.00 O ATOM 335 OE2 GLU A 86 -7.981 9.148 4.865 1.00 0.00 O ATOM 0 H GLU A 86 -4.696 10.763 1.037 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.057 10.722 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.285 9.539 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.704 8.181 1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.344 9.079 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.743 7.811 2.762 1.00 0.00 H new ATOM 342 N GLN A 87 -5.112 8.709 4.846 1.00 0.00 N ATOM 343 CA GLN A 87 -4.363 7.909 5.799 1.00 0.00 C ATOM 344 C GLN A 87 -4.929 6.508 5.903 1.00 0.00 C ATOM 345 O GLN A 87 -6.131 6.287 5.753 1.00 0.00 O ATOM 346 CB GLN A 87 -4.346 8.572 7.174 1.00 0.00 C ATOM 347 CG GLN A 87 -4.070 10.061 7.119 1.00 0.00 C ATOM 348 CD GLN A 87 -4.865 10.843 8.147 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.409 11.907 7.851 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.936 10.317 9.365 1.00 0.00 N ATOM 0 H GLN A 87 -6.111 8.779 5.039 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.338 7.839 5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.306 8.405 7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.587 8.092 7.792 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.006 10.235 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.307 10.434 6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.470 9.433 9.567 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.457 10.798 10.099 1.00 0.00 H new ATOM 359 N LEU A 88 -4.041 5.570 6.161 1.00 0.00 N ATOM 360 CA LEU A 88 -4.407 4.167 6.294 1.00 0.00 C ATOM 361 C LEU A 88 -3.504 3.486 7.294 1.00 0.00 C ATOM 362 O LEU A 88 -2.279 3.544 7.184 1.00 0.00 O ATOM 363 CB LEU A 88 -4.298 3.429 4.960 1.00 0.00 C ATOM 364 CG LEU A 88 -4.520 4.270 3.706 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.437 3.976 2.680 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.898 3.993 3.132 1.00 0.00 C ATOM 0 H LEU A 88 -3.045 5.754 6.285 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.442 4.134 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.308 2.976 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.022 2.614 4.959 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.463 5.326 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.605 4.582 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.461 4.215 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.467 2.920 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.048 4.597 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.979 2.937 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.658 4.245 3.872 1.00 0.00 H new ATOM 378 N ARG A 89 -4.110 2.823 8.254 1.00 0.00 N ATOM 379 CA ARG A 89 -3.362 2.114 9.255 1.00 0.00 C ATOM 380 C ARG A 89 -2.901 0.782 8.680 1.00 0.00 C ATOM 381 O ARG A 89 -3.687 -0.153 8.527 1.00 0.00 O ATOM 382 CB ARG A 89 -4.215 1.918 10.497 1.00 0.00 C ATOM 383 CG ARG A 89 -3.622 0.928 11.461 1.00 0.00 C ATOM 384 CD ARG A 89 -4.418 0.872 12.747 1.00 0.00 C ATOM 385 NE ARG A 89 -3.643 0.301 13.844 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.183 -0.253 14.927 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.503 -0.311 15.065 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.402 -0.749 15.877 1.00 0.00 N ATOM 0 H ARG A 89 -5.123 2.763 8.358 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.483 2.690 9.545 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.342 2.877 11.000 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.208 1.580 10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.597 -0.060 11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.590 1.203 11.680 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.743 1.877 13.017 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.318 0.278 12.591 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.626 0.328 13.777 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.109 0.070 14.339 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.911 -0.737 15.897 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.388 -0.706 15.778 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.816 -1.174 16.707 1.00 0.00 H new ATOM 402 N ILE A 90 -1.628 0.726 8.335 1.00 0.00 N ATOM 403 CA ILE A 90 -1.043 -0.463 7.735 1.00 0.00 C ATOM 404 C ILE A 90 -1.186 -1.687 8.623 1.00 0.00 C ATOM 405 O ILE A 90 -0.558 -1.791 9.677 1.00 0.00 O ATOM 406 CB ILE A 90 0.446 -0.248 7.390 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.628 1.045 6.599 1.00 0.00 C ATOM 408 CG2 ILE A 90 0.986 -1.421 6.593 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.070 1.040 5.256 1.00 0.00 C ATOM 0 H ILE A 90 -0.972 1.497 8.461 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.600 -0.642 6.815 1.00 0.00 H new ATOM 0 HB ILE A 90 1.004 -0.174 8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.251 1.879 7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.693 1.219 6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.037 -1.250 6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.889 -2.335 7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.421 -1.522 5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.104 1.991 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.323 0.228 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.141 0.898 5.403 1.00 0.00 H new ATOM 421 N LEU A 91 -2.001 -2.620 8.158 1.00 0.00 N ATOM 422 CA LEU A 91 -2.231 -3.870 8.858 1.00 0.00 C ATOM 423 C LEU A 91 -1.069 -4.801 8.579 1.00 0.00 C ATOM 424 O LEU A 91 -0.501 -5.412 9.484 1.00 0.00 O ATOM 425 CB LEU A 91 -3.536 -4.489 8.366 1.00 0.00 C ATOM 426 CG LEU A 91 -4.711 -3.508 8.305 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.958 -4.163 7.737 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.988 -2.920 9.682 1.00 0.00 C ATOM 0 H LEU A 91 -2.521 -2.531 7.285 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.307 -3.698 9.932 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.375 -4.908 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.802 -5.318 9.022 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.432 -2.698 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.770 -3.436 7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.754 -4.518 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.246 -5.005 8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.826 -2.225 9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.233 -3.722 10.378 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.104 -2.391 10.036 1.00 0.00 H new ATOM 440 N GLU A 92 -0.710 -4.867 7.308 1.00 0.00 N ATOM 441 CA GLU A 92 0.403 -5.677 6.858 1.00 0.00 C ATOM 442 C GLU A 92 1.150 -4.955 5.751 1.00 0.00 C ATOM 443 O GLU A 92 0.542 -4.353 4.869 1.00 0.00 O ATOM 444 CB GLU A 92 -0.075 -7.044 6.382 1.00 0.00 C ATOM 445 CG GLU A 92 0.507 -8.177 7.201 1.00 0.00 C ATOM 446 CD GLU A 92 -0.546 -8.942 7.978 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.632 -9.194 7.415 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.284 -9.291 9.149 1.00 0.00 O ATOM 0 H GLU A 92 -1.184 -4.359 6.561 1.00 0.00 H new ATOM 0 HA GLU A 92 1.080 -5.836 7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.163 -7.084 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.199 -7.178 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.034 -8.864 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.244 -7.775 7.896 1.00 0.00 H new ATOM 455 N GLN A 93 2.470 -4.990 5.813 1.00 0.00 N ATOM 456 CA GLN A 93 3.290 -4.311 4.826 1.00 0.00 C ATOM 457 C GLN A 93 4.290 -5.262 4.189 1.00 0.00 C ATOM 458 O GLN A 93 5.416 -4.880 3.871 1.00 0.00 O ATOM 459 CB GLN A 93 4.008 -3.137 5.470 1.00 0.00 C ATOM 460 CG GLN A 93 4.423 -3.425 6.882 1.00 0.00 C ATOM 461 CD GLN A 93 4.920 -2.198 7.621 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.342 -1.116 7.509 1.00 0.00 O ATOM 463 NE2 GLN A 93 5.996 -2.360 8.381 1.00 0.00 N ATOM 0 H GLN A 93 2.996 -5.481 6.536 1.00 0.00 H new ATOM 0 HA GLN A 93 2.637 -3.941 4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.889 -2.885 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.355 -2.264 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.577 -3.849 7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.209 -4.180 6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.443 -3.275 8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.376 -1.570 8.902 1.00 0.00 H new ATOM 472 N SER A 94 3.862 -6.500 3.994 1.00 0.00 N ATOM 473 CA SER A 94 4.706 -7.511 3.381 1.00 0.00 C ATOM 474 C SER A 94 4.423 -7.591 1.887 1.00 0.00 C ATOM 475 O SER A 94 3.285 -7.816 1.472 1.00 0.00 O ATOM 476 CB SER A 94 4.474 -8.873 4.037 1.00 0.00 C ATOM 477 OG SER A 94 3.391 -8.827 4.949 1.00 0.00 O ATOM 0 H SER A 94 2.932 -6.828 4.253 1.00 0.00 H new ATOM 0 HA SER A 94 5.749 -7.230 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.274 -9.620 3.269 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.378 -9.187 4.558 1.00 0.00 H new ATOM 0 HG SER A 94 3.265 -9.711 5.352 1.00 0.00 H new ATOM 483 N GLY A 95 5.459 -7.397 1.082 1.00 0.00 N ATOM 484 CA GLY A 95 5.290 -7.443 -0.358 1.00 0.00 C ATOM 485 C GLY A 95 4.971 -6.093 -0.950 1.00 0.00 C ATOM 486 O GLY A 95 4.534 -5.178 -0.253 1.00 0.00 O ATOM 0 H GLY A 95 6.410 -7.209 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.201 -7.829 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.490 -8.141 -0.604 1.00 0.00 H new ATOM 490 N GLU A 96 5.184 -5.980 -2.254 1.00 0.00 N ATOM 491 CA GLU A 96 4.919 -4.750 -2.982 1.00 0.00 C ATOM 492 C GLU A 96 3.529 -4.192 -2.653 1.00 0.00 C ATOM 493 O GLU A 96 3.267 -3.008 -2.850 1.00 0.00 O ATOM 494 CB GLU A 96 5.057 -5.014 -4.478 1.00 0.00 C ATOM 495 CG GLU A 96 4.061 -4.252 -5.301 1.00 0.00 C ATOM 496 CD GLU A 96 4.298 -4.378 -6.792 1.00 0.00 C ATOM 497 OE1 GLU A 96 4.108 -5.487 -7.332 1.00 0.00 O ATOM 498 OE2 GLU A 96 4.675 -3.366 -7.421 1.00 0.00 O ATOM 0 H GLU A 96 5.545 -6.737 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 96 5.646 -3.998 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.064 -4.747 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.935 -6.081 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.058 -4.609 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.098 -3.199 -5.021 1.00 0.00 H new ATOM 505 N TRP A 97 2.641 -5.048 -2.158 1.00 0.00 N ATOM 506 CA TRP A 97 1.293 -4.625 -1.807 1.00 0.00 C ATOM 507 C TRP A 97 1.090 -4.684 -0.295 1.00 0.00 C ATOM 508 O TRP A 97 1.225 -5.744 0.317 1.00 0.00 O ATOM 509 CB TRP A 97 0.269 -5.504 -2.516 1.00 0.00 C ATOM 510 CG TRP A 97 0.087 -5.139 -3.957 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.807 -5.607 -5.020 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.869 -4.219 -4.493 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.358 -5.030 -6.183 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.671 -4.174 -5.885 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.873 -3.430 -3.930 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.440 -3.368 -6.721 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.635 -2.631 -4.758 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.415 -2.605 -6.140 1.00 0.00 C ATOM 0 H TRP A 97 2.831 -6.036 -1.992 1.00 0.00 H new ATOM 0 HA TRP A 97 1.155 -3.593 -2.131 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.582 -6.546 -2.447 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.689 -5.424 -2.002 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.611 -6.325 -4.955 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.729 -5.209 -7.116 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.051 -3.444 -2.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.273 -3.346 -7.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.414 -2.016 -4.333 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -3.028 -1.969 -6.761 1.00 0.00 H new ATOM 529 N TRP A 98 0.782 -3.537 0.305 1.00 0.00 N ATOM 530 CA TRP A 98 0.583 -3.462 1.747 1.00 0.00 C ATOM 531 C TRP A 98 -0.890 -3.421 2.123 1.00 0.00 C ATOM 532 O TRP A 98 -1.685 -2.709 1.509 1.00 0.00 O ATOM 533 CB TRP A 98 1.269 -2.223 2.315 1.00 0.00 C ATOM 534 CG TRP A 98 2.762 -2.313 2.314 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.527 -3.318 1.799 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.669 -1.361 2.866 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.859 -3.047 2.000 1.00 0.00 N ATOM 538 CE2 TRP A 98 4.972 -1.845 2.652 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.501 -0.144 3.520 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.102 -1.147 3.071 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.619 0.551 3.937 1.00 0.00 C ATOM 542 CH2 TRP A 98 5.908 0.049 3.709 1.00 0.00 C ATOM 0 H TRP A 98 0.665 -2.650 -0.185 1.00 0.00 H new ATOM 0 HA TRP A 98 1.022 -4.365 2.171 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.965 -1.352 1.735 1.00 0.00 H new ATOM 0 HB3 TRP A 98 0.924 -2.062 3.336 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.142 -4.198 1.305 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.636 -3.642 1.712 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.512 0.251 3.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.095 -1.535 2.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.499 1.496 4.447 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.764 0.616 4.043 1.00 0.00 H new ATOM 553 N LYS A 99 -1.233 -4.162 3.167 1.00 0.00 N ATOM 554 CA LYS A 99 -2.591 -4.190 3.674 1.00 0.00 C ATOM 555 C LYS A 99 -2.785 -3.024 4.632 1.00 0.00 C ATOM 556 O LYS A 99 -2.149 -2.971 5.682 1.00 0.00 O ATOM 557 CB LYS A 99 -2.865 -5.511 4.402 1.00 0.00 C ATOM 558 CG LYS A 99 -4.228 -5.573 5.071 1.00 0.00 C ATOM 559 CD LYS A 99 -5.283 -4.900 4.226 1.00 0.00 C ATOM 560 CE LYS A 99 -6.681 -5.334 4.626 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.397 -6.011 3.509 1.00 0.00 N ATOM 0 H LYS A 99 -0.581 -4.755 3.681 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.288 -4.106 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.783 -6.331 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.093 -5.666 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.505 -6.613 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.179 -5.091 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.195 -3.818 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.114 -5.137 3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.621 -6.009 5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.252 -4.463 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.332 -5.574 3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.845 -5.913 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.515 -7.020 3.733 1.00 0.00 H new ATOM 575 N ALA A 100 -3.642 -2.081 4.267 1.00 0.00 N ATOM 576 CA ALA A 100 -3.877 -0.919 5.112 1.00 0.00 C ATOM 577 C ALA A 100 -5.329 -0.805 5.521 1.00 0.00 C ATOM 578 O ALA A 100 -6.232 -1.069 4.730 1.00 0.00 O ATOM 579 CB ALA A 100 -3.449 0.356 4.402 1.00 0.00 C ATOM 0 H ALA A 100 -4.181 -2.096 3.401 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.278 -1.053 6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.633 1.213 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.386 0.301 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.021 0.469 3.481 1.00 0.00 H new ATOM 585 N GLN A 101 -5.547 -0.366 6.751 1.00 0.00 N ATOM 586 CA GLN A 101 -6.891 -0.168 7.244 1.00 0.00 C ATOM 587 C GLN A 101 -7.157 1.320 7.307 1.00 0.00 C ATOM 588 O GLN A 101 -6.571 2.032 8.122 1.00 0.00 O ATOM 589 CB GLN A 101 -7.088 -0.805 8.619 1.00 0.00 C ATOM 590 CG GLN A 101 -8.409 -0.442 9.259 1.00 0.00 C ATOM 591 CD GLN A 101 -8.444 -0.731 10.746 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.842 -1.815 11.173 1.00 0.00 O ATOM 593 NE2 GLN A 101 -8.025 0.243 11.546 1.00 0.00 N ATOM 0 H GLN A 101 -4.810 -0.142 7.420 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.595 -0.652 6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.024 -1.889 8.523 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.276 -0.495 9.276 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.607 0.617 9.095 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.209 -0.996 8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.703 1.126 11.149 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.025 0.108 12.557 1.00 0.00 H new ATOM 602 N SER A 102 -8.036 1.787 6.443 1.00 0.00 N ATOM 603 CA SER A 102 -8.375 3.189 6.397 1.00 0.00 C ATOM 604 C SER A 102 -8.722 3.681 7.794 1.00 0.00 C ATOM 605 O SER A 102 -8.918 2.880 8.707 1.00 0.00 O ATOM 606 CB SER A 102 -9.533 3.384 5.431 1.00 0.00 C ATOM 607 OG SER A 102 -9.120 4.075 4.265 1.00 0.00 O ATOM 0 H SER A 102 -8.529 1.210 5.761 1.00 0.00 H new ATOM 0 HA SER A 102 -7.526 3.774 6.043 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.946 2.414 5.154 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.330 3.941 5.923 1.00 0.00 H new ATOM 0 HG SER A 102 -9.884 4.184 3.662 1.00 0.00 H new ATOM 613 N LEU A 103 -8.764 4.987 7.973 1.00 0.00 N ATOM 614 CA LEU A 103 -9.062 5.543 9.288 1.00 0.00 C ATOM 615 C LEU A 103 -10.248 6.493 9.255 1.00 0.00 C ATOM 616 O LEU A 103 -10.923 6.690 10.265 1.00 0.00 O ATOM 617 CB LEU A 103 -7.825 6.221 9.846 1.00 0.00 C ATOM 618 CG LEU A 103 -6.766 5.232 10.330 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.725 5.023 9.250 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.115 5.688 11.625 1.00 0.00 C ATOM 0 H LEU A 103 -8.599 5.677 7.240 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.346 4.723 9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.391 6.861 9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.115 6.868 10.674 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.261 4.284 10.538 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.973 4.317 9.601 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.204 4.627 8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.248 5.975 9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.368 4.956 11.934 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.634 6.654 11.470 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.875 5.781 12.401 1.00 0.00 H new ATOM 632 N THR A 104 -10.522 7.054 8.090 1.00 0.00 N ATOM 633 CA THR A 104 -11.649 7.947 7.932 1.00 0.00 C ATOM 634 C THR A 104 -12.906 7.122 7.708 1.00 0.00 C ATOM 635 O THR A 104 -13.978 7.413 8.239 1.00 0.00 O ATOM 636 CB THR A 104 -11.410 8.870 6.747 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.044 9.234 6.658 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.216 10.131 6.828 1.00 0.00 C ATOM 0 H THR A 104 -9.977 6.905 7.241 1.00 0.00 H new ATOM 0 HA THR A 104 -11.769 8.554 8.829 1.00 0.00 H new ATOM 0 HB THR A 104 -11.718 8.308 5.866 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.698 8.994 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.007 10.753 5.958 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.277 9.884 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.951 10.675 7.735 1.00 0.00 H new ATOM 646 N THR A 105 -12.732 6.078 6.916 1.00 0.00 N ATOM 647 CA THR A 105 -13.788 5.145 6.573 1.00 0.00 C ATOM 648 C THR A 105 -13.528 3.810 7.256 1.00 0.00 C ATOM 649 O THR A 105 -14.439 3.100 7.680 1.00 0.00 O ATOM 650 CB THR A 105 -13.789 4.942 5.067 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.974 3.840 4.703 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.287 6.144 4.297 1.00 0.00 C ATOM 0 H THR A 105 -11.835 5.852 6.486 1.00 0.00 H new ATOM 0 HA THR A 105 -14.750 5.539 6.901 1.00 0.00 H new ATOM 0 HB THR A 105 -14.833 4.768 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 105 -13.047 3.684 3.738 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.315 5.929 3.229 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.921 7.004 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.262 6.366 4.596 1.00 0.00 H new ATOM 660 N GLY A 106 -12.247 3.505 7.330 1.00 0.00 N ATOM 661 CA GLY A 106 -11.759 2.292 7.923 1.00 0.00 C ATOM 662 C GLY A 106 -11.803 1.111 6.981 1.00 0.00 C ATOM 663 O GLY A 106 -11.377 0.013 7.337 1.00 0.00 O ATOM 0 H GLY A 106 -11.509 4.110 6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.733 2.445 8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.351 2.064 8.809 1.00 0.00 H new ATOM 667 N GLN A 107 -12.300 1.331 5.768 1.00 0.00 N ATOM 668 CA GLN A 107 -12.371 0.284 4.782 1.00 0.00 C ATOM 669 C GLN A 107 -11.034 -0.420 4.641 1.00 0.00 C ATOM 670 O GLN A 107 -10.010 0.206 4.368 1.00 0.00 O ATOM 671 CB GLN A 107 -12.823 0.872 3.469 1.00 0.00 C ATOM 672 CG GLN A 107 -14.326 0.936 3.379 1.00 0.00 C ATOM 673 CD GLN A 107 -14.877 2.328 3.609 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.549 3.250 2.711 1.00 0.00 O flip ATOM 675 NE2 GLN A 107 -15.590 2.574 4.582 1.00 0.00 N flip ATOM 0 H GLN A 107 -12.658 2.233 5.453 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.095 -0.466 5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.408 1.874 3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.434 0.271 2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.640 0.585 2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.757 0.255 4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.817 1.835 5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.954 3.517 4.723 1.00 0.00 H new ATOM 684 N GLU A 108 -11.055 -1.723 4.853 1.00 0.00 N ATOM 685 CA GLU A 108 -9.841 -2.524 4.777 1.00 0.00 C ATOM 686 C GLU A 108 -9.618 -3.072 3.374 1.00 0.00 C ATOM 687 O GLU A 108 -10.566 -3.335 2.636 1.00 0.00 O ATOM 688 CB GLU A 108 -9.895 -3.671 5.785 1.00 0.00 C ATOM 689 CG GLU A 108 -9.783 -3.215 7.227 1.00 0.00 C ATOM 690 CD GLU A 108 -10.930 -3.704 8.089 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.558 -4.720 7.722 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.201 -3.072 9.131 1.00 0.00 O ATOM 0 H GLU A 108 -11.897 -2.252 5.079 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.002 -1.873 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.831 -4.214 5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.088 -4.371 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.842 -3.574 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.750 -2.126 7.257 1.00 0.00 H new ATOM 699 N GLY A 109 -8.350 -3.238 3.020 1.00 0.00 N ATOM 700 CA GLY A 109 -8.000 -3.754 1.712 1.00 0.00 C ATOM 701 C GLY A 109 -6.516 -3.646 1.433 1.00 0.00 C ATOM 702 O GLY A 109 -5.756 -3.144 2.260 1.00 0.00 O ATOM 0 H GLY A 109 -7.554 -3.023 3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.306 -4.798 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.552 -3.207 0.948 1.00 0.00 H new ATOM 706 N PHE A 110 -6.101 -4.118 0.267 1.00 0.00 N ATOM 707 CA PHE A 110 -4.704 -4.082 -0.123 1.00 0.00 C ATOM 708 C PHE A 110 -4.382 -2.791 -0.866 1.00 0.00 C ATOM 709 O PHE A 110 -5.174 -2.320 -1.681 1.00 0.00 O ATOM 710 CB PHE A 110 -4.389 -5.289 -1.001 1.00 0.00 C ATOM 711 CG PHE A 110 -3.778 -6.436 -0.248 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.369 -6.910 0.913 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.615 -7.038 -0.699 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.810 -7.965 1.610 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.052 -8.093 -0.006 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.650 -8.557 1.150 1.00 0.00 C ATOM 0 H PHE A 110 -6.720 -4.533 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.088 -4.117 0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.307 -5.628 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.708 -4.983 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.276 -6.450 1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.143 -6.679 -1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.280 -8.326 2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.145 -8.554 -0.368 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.211 -9.381 1.693 1.00 0.00 H new ATOM 726 N ILE A 111 -3.220 -2.219 -0.577 1.00 0.00 N ATOM 727 CA ILE A 111 -2.810 -0.979 -1.219 1.00 0.00 C ATOM 728 C ILE A 111 -1.369 -1.041 -1.713 1.00 0.00 C ATOM 729 O ILE A 111 -0.502 -1.652 -1.088 1.00 0.00 O ATOM 730 CB ILE A 111 -2.943 0.225 -0.265 1.00 0.00 C ATOM 731 CG1 ILE A 111 -2.021 0.042 0.942 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.390 0.407 0.167 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.491 1.341 1.507 1.00 0.00 C ATOM 0 H ILE A 111 -2.549 -2.592 0.094 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.478 -0.850 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.639 1.130 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.563 -0.489 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.180 -0.588 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.464 1.261 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.013 0.581 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.732 -0.491 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.845 1.130 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.920 1.865 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.325 1.965 1.829 1.00 0.00 H new ATOM 745 N PRO A 112 -1.104 -0.376 -2.841 1.00 0.00 N ATOM 746 CA PRO A 112 0.226 -0.307 -3.433 1.00 0.00 C ATOM 747 C PRO A 112 1.251 0.236 -2.439 1.00 0.00 C ATOM 748 O PRO A 112 1.111 1.356 -1.945 1.00 0.00 O ATOM 749 CB PRO A 112 0.056 0.656 -4.617 1.00 0.00 C ATOM 750 CG PRO A 112 -1.261 1.323 -4.404 1.00 0.00 C ATOM 751 CD PRO A 112 -2.090 0.377 -3.605 1.00 0.00 C ATOM 0 HA PRO A 112 0.595 -1.288 -3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.865 1.386 -4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.075 0.119 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.136 2.269 -3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.740 1.549 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.786 0.905 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.685 -0.275 -4.245 1.00 0.00 H new ATOM 759 N PHE A 113 2.265 -0.565 -2.133 1.00 0.00 N ATOM 760 CA PHE A 113 3.294 -0.163 -1.176 1.00 0.00 C ATOM 761 C PHE A 113 4.004 1.127 -1.603 1.00 0.00 C ATOM 762 O PHE A 113 4.633 1.792 -0.781 1.00 0.00 O ATOM 763 CB PHE A 113 4.309 -1.296 -0.976 1.00 0.00 C ATOM 764 CG PHE A 113 5.394 -1.349 -2.020 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.105 -1.137 -3.358 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.706 -1.609 -1.655 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.102 -1.183 -4.313 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.707 -1.656 -2.607 1.00 0.00 C ATOM 769 CZ PHE A 113 7.405 -1.442 -3.937 1.00 0.00 C ATOM 0 H PHE A 113 2.398 -1.494 -2.531 1.00 0.00 H new ATOM 0 HA PHE A 113 2.797 0.040 -0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.770 -1.185 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.777 -2.248 -0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.088 -0.933 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.948 -1.777 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.862 -1.017 -5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.725 -1.860 -2.310 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.186 -1.477 -4.682 1.00 0.00 H new ATOM 779 N ASN A 114 3.906 1.475 -2.883 1.00 0.00 N ATOM 780 CA ASN A 114 4.547 2.683 -3.392 1.00 0.00 C ATOM 781 C ASN A 114 3.529 3.801 -3.602 1.00 0.00 C ATOM 782 O ASN A 114 3.640 4.589 -4.541 1.00 0.00 O ATOM 783 CB ASN A 114 5.266 2.382 -4.708 1.00 0.00 C ATOM 784 CG ASN A 114 4.399 1.603 -5.677 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.138 0.417 -5.479 1.00 0.00 O ATOM 786 ND2 ASN A 114 3.949 2.269 -6.734 1.00 0.00 N ATOM 0 H ASN A 114 3.392 0.941 -3.583 1.00 0.00 H new ATOM 0 HA ASN A 114 5.273 3.017 -2.651 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.574 3.319 -5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.174 1.815 -4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.362 1.797 -7.422 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.191 3.252 -6.858 1.00 0.00 H new ATOM 793 N PHE A 115 2.530 3.851 -2.728 1.00 0.00 N ATOM 794 CA PHE A 115 1.478 4.860 -2.818 1.00 0.00 C ATOM 795 C PHE A 115 1.379 5.686 -1.539 1.00 0.00 C ATOM 796 O PHE A 115 0.967 6.845 -1.570 1.00 0.00 O ATOM 797 CB PHE A 115 0.138 4.171 -3.062 1.00 0.00 C ATOM 798 CG PHE A 115 -0.676 4.756 -4.180 1.00 0.00 C ATOM 799 CD1 PHE A 115 -1.367 5.944 -4.008 1.00 0.00 C ATOM 800 CD2 PHE A 115 -0.777 4.096 -5.393 1.00 0.00 C ATOM 801 CE1 PHE A 115 -2.141 6.462 -5.026 1.00 0.00 C ATOM 802 CE2 PHE A 115 -1.545 4.611 -6.415 1.00 0.00 C ATOM 803 CZ PHE A 115 -2.232 5.795 -6.232 1.00 0.00 C ATOM 0 H PHE A 115 2.425 3.203 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 115 1.726 5.529 -3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.320 3.118 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.448 4.212 -2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.299 6.470 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.247 3.166 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.676 7.389 -4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.610 4.089 -7.358 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.839 6.198 -7.029 1.00 0.00 H new ATOM 813 N VAL A 116 1.716 5.070 -0.411 1.00 0.00 N ATOM 814 CA VAL A 116 1.613 5.743 0.878 1.00 0.00 C ATOM 815 C VAL A 116 2.967 6.034 1.516 1.00 0.00 C ATOM 816 O VAL A 116 3.923 5.275 1.368 1.00 0.00 O ATOM 817 CB VAL A 116 0.775 4.909 1.863 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.648 4.764 1.351 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.411 3.542 2.096 1.00 0.00 C ATOM 0 H VAL A 116 2.061 4.111 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 116 1.127 6.697 0.673 1.00 0.00 H new ATOM 0 HB VAL A 116 0.746 5.431 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.230 4.172 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.099 5.751 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.637 4.265 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.800 2.971 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.476 3.005 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.411 3.672 2.509 1.00 0.00 H new ATOM 829 N ALA A 117 3.012 7.142 2.252 1.00 0.00 N ATOM 830 CA ALA A 117 4.210 7.566 2.960 1.00 0.00 C ATOM 831 C ALA A 117 3.837 7.987 4.379 1.00 0.00 C ATOM 832 O ALA A 117 2.789 8.595 4.591 1.00 0.00 O ATOM 833 CB ALA A 117 4.891 8.708 2.219 1.00 0.00 C ATOM 0 H ALA A 117 2.217 7.769 2.372 1.00 0.00 H new ATOM 0 HA ALA A 117 4.913 6.734 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.785 9.013 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.170 8.378 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.206 9.553 2.145 1.00 0.00 H new ATOM 839 N LYS A 118 4.683 7.648 5.348 1.00 0.00 N ATOM 840 CA LYS A 118 4.423 7.977 6.750 1.00 0.00 C ATOM 841 C LYS A 118 3.815 9.368 6.909 1.00 0.00 C ATOM 842 O LYS A 118 4.234 10.317 6.249 1.00 0.00 O ATOM 843 CB LYS A 118 5.720 7.888 7.561 1.00 0.00 C ATOM 844 CG LYS A 118 6.298 6.484 7.633 1.00 0.00 C ATOM 845 CD LYS A 118 5.229 5.465 7.984 1.00 0.00 C ATOM 846 CE LYS A 118 5.807 4.064 8.102 1.00 0.00 C ATOM 847 NZ LYS A 118 6.260 3.536 6.785 1.00 0.00 N ATOM 0 H LYS A 118 5.556 7.145 5.190 1.00 0.00 H new ATOM 0 HA LYS A 118 3.701 7.252 7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.461 8.555 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.531 8.246 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.750 6.225 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.092 6.453 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.755 5.744 8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.451 5.475 7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.647 4.075 8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.055 3.396 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.537 2.539 6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.485 3.611 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.075 4.089 6.451 1.00 0.00 H new ATOM 861 N ALA A 119 2.823 9.476 7.794 1.00 0.00 N ATOM 862 CA ALA A 119 2.154 10.753 8.051 1.00 0.00 C ATOM 863 C ALA A 119 3.091 11.730 8.757 1.00 0.00 C ATOM 864 O ALA A 119 2.767 12.258 9.823 1.00 0.00 O ATOM 865 CB ALA A 119 0.889 10.549 8.884 1.00 0.00 C ATOM 0 H ALA A 119 2.465 8.696 8.345 1.00 0.00 H new ATOM 0 HA ALA A 119 1.873 11.177 7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.411 11.512 9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.201 9.896 8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.152 10.093 9.839 1.00 0.00 H new ATOM 871 N ASN A 120 4.252 11.968 8.159 1.00 0.00 N ATOM 872 CA ASN A 120 5.235 12.882 8.731 1.00 0.00 C ATOM 873 C ASN A 120 5.714 13.889 7.690 1.00 0.00 C ATOM 874 O ASN A 120 6.068 13.458 6.572 1.00 0.00 O ATOM 875 CB ASN A 120 6.426 12.100 9.288 1.00 0.00 C ATOM 876 CG ASN A 120 6.086 11.366 10.570 1.00 0.00 C ATOM 877 OD1 ASN A 120 5.244 11.811 11.350 1.00 0.00 O ATOM 878 ND2 ASN A 120 6.744 10.234 10.797 1.00 0.00 N ATOM 879 OXT ASN A 120 5.729 15.097 8.001 1.00 0.00 O ATOM 0 H ASN A 120 4.537 11.541 7.278 1.00 0.00 H new ATOM 0 HA ASN A 120 4.756 13.428 9.544 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.768 11.383 8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.253 12.786 9.473 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.559 9.698 11.645 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.434 9.901 10.124 1.00 0.00 H new TER 886 ASN A 120