USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 hydrogens (15 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 NoAdj-H: A 370 M2L HNA : A 370 M2L N : A 369 LEU C :(H bumps) USER MOD Set 1.1: A 92 GLN : amide:sc= 0.375 K(o=0.73,f=0.073) USER MOD Set 1.2: A 121 TYR OH : rot 150:sc= 0.355 USER MOD Set 2.1: A 116 TYR OH : rot 15:sc= 0.32 USER MOD Set 2.2: A 141 ASN : amide:sc= 1.74 K(o=2.1,f=-13!) USER MOD Set 3.1: A 111 ASN : amide:sc= 0.689 X(o=1.1,f=0.62) USER MOD Set 3.2: A 115 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 84 SER OG : rot 24:sc= 0.108 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.0396 K(o=-0.04,f=-3.1!) USER MOD Single : A 96 SER OG : rot 41:sc= 0.982 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00852 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot -12:sc= 1.3 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.821 K(o=0.82,f=-4.1!) USER MOD Single : A 134 LYS NZ :NH3+ 151:sc= 1.17 (180deg=0.546) USER MOD Single : A 137 SER OG : rot -148:sc= 0.821 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 1.62 K(o=1.6,f=-2.8!) USER MOD Single : A 145 ASN : amide:sc= 0.0647 K(o=0.065,f=-3.4!) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 366 SER OG : rot -93:sc= 1.26 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 368 HIS : no HD1:sc= -0.041 K(o=-0.041,f=-2.2!) USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 LYS NZ :NH3+ 175:sc= 1.05 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 -0.149 -2.389 -2.008 1.00 0.00 N ATOM 2 CA SER A 84 -1.151 -1.294 -1.931 1.00 0.00 C ATOM 3 C SER A 84 -0.487 0.085 -2.088 1.00 0.00 C ATOM 4 O SER A 84 0.711 0.232 -1.832 1.00 0.00 O ATOM 5 CB SER A 84 -1.959 -1.386 -0.617 1.00 0.00 C ATOM 6 OG SER A 84 -2.536 -2.681 -0.461 1.00 0.00 O ATOM 0 HA SER A 84 -1.846 -1.413 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.308 -1.170 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.745 -0.631 -0.616 1.00 0.00 H new ATOM 0 HG SER A 84 -2.022 -3.333 -0.982 1.00 0.00 H new ATOM 12 N SER A 85 -1.257 1.102 -2.490 1.00 0.00 N ATOM 13 CA SER A 85 -0.855 2.514 -2.548 1.00 0.00 C ATOM 14 C SER A 85 0.285 2.786 -3.538 1.00 0.00 C ATOM 15 O SER A 85 1.182 3.589 -3.289 1.00 0.00 O ATOM 16 CB SER A 85 -0.626 3.076 -1.130 1.00 0.00 C ATOM 17 OG SER A 85 -1.682 2.685 -0.254 1.00 0.00 O ATOM 0 H SER A 85 -2.219 0.959 -2.797 1.00 0.00 H new ATOM 0 HA SER A 85 -1.687 3.078 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.327 2.717 -0.741 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.565 4.164 -1.170 1.00 0.00 H new ATOM 0 HG SER A 85 -1.517 3.050 0.640 1.00 0.00 H new ATOM 23 N GLU A 86 0.221 2.105 -4.688 1.00 0.00 N ATOM 24 CA GLU A 86 1.146 2.289 -5.811 1.00 0.00 C ATOM 25 C GLU A 86 0.480 3.040 -6.983 1.00 0.00 C ATOM 26 O GLU A 86 1.119 3.250 -8.015 1.00 0.00 O ATOM 27 CB GLU A 86 1.653 0.899 -6.216 1.00 0.00 C ATOM 28 CG GLU A 86 2.677 0.316 -5.233 1.00 0.00 C ATOM 29 CD GLU A 86 3.988 1.128 -5.194 1.00 0.00 C ATOM 30 OE1 GLU A 86 4.772 1.064 -6.172 1.00 0.00 O ATOM 31 OE2 GLU A 86 4.238 1.832 -4.184 1.00 0.00 O ATOM 0 H GLU A 86 -0.490 1.396 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 86 1.987 2.915 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.805 0.219 -6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.104 0.959 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.241 0.287 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.899 -0.714 -5.513 1.00 0.00 H new ATOM 38 N PHE A 87 -0.785 3.453 -6.810 1.00 0.00 N ATOM 39 CA PHE A 87 -1.581 4.348 -7.664 1.00 0.00 C ATOM 40 C PHE A 87 -1.526 4.046 -9.165 1.00 0.00 C ATOM 41 O PHE A 87 -1.494 4.950 -10.001 1.00 0.00 O ATOM 42 CB PHE A 87 -1.249 5.804 -7.314 1.00 0.00 C ATOM 43 CG PHE A 87 -1.048 6.050 -5.831 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.096 5.856 -4.909 1.00 0.00 C ATOM 45 CD2 PHE A 87 0.208 6.473 -5.374 1.00 0.00 C ATOM 46 CE1 PHE A 87 -1.893 6.120 -3.545 1.00 0.00 C ATOM 47 CE2 PHE A 87 0.406 6.762 -4.015 1.00 0.00 C ATOM 48 CZ PHE A 87 -0.650 6.606 -3.103 1.00 0.00 C ATOM 0 H PHE A 87 -1.323 3.143 -6.001 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.630 4.158 -7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.345 6.098 -7.847 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.053 6.446 -7.673 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.057 5.503 -5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.027 6.577 -6.071 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.690 5.950 -2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.371 7.104 -3.671 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.508 6.859 -2.063 1.00 0.00 H new ATOM 58 N GLN A 88 -1.510 2.758 -9.502 1.00 0.00 N ATOM 59 CA GLN A 88 -1.521 2.231 -10.860 1.00 0.00 C ATOM 60 C GLN A 88 -2.882 1.571 -11.104 1.00 0.00 C ATOM 61 O GLN A 88 -3.800 1.740 -10.300 1.00 0.00 O ATOM 62 CB GLN A 88 -0.301 1.303 -11.029 1.00 0.00 C ATOM 63 CG GLN A 88 0.970 2.135 -11.258 1.00 0.00 C ATOM 64 CD GLN A 88 2.242 1.370 -10.899 1.00 0.00 C ATOM 65 OE1 GLN A 88 2.724 0.532 -11.661 1.00 0.00 O ATOM 66 NE2 GLN A 88 2.811 1.644 -9.735 1.00 0.00 N ATOM 0 H GLN A 88 -1.488 2.019 -8.799 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.418 3.003 -11.623 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.182 0.681 -10.142 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.461 0.630 -11.871 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.017 2.441 -12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.917 3.046 -10.661 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.397 2.342 -9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.663 1.157 -9.457 1.00 0.00 H new ATOM 75 N ILE A 89 -3.060 0.895 -12.243 1.00 0.00 N ATOM 76 CA ILE A 89 -4.317 0.235 -12.609 1.00 0.00 C ATOM 77 C ILE A 89 -4.802 -0.623 -11.429 1.00 0.00 C ATOM 78 O ILE A 89 -4.007 -1.311 -10.782 1.00 0.00 O ATOM 79 CB ILE A 89 -4.144 -0.571 -13.920 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.602 0.342 -15.052 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.476 -1.225 -14.331 1.00 0.00 C ATOM 82 CD1 ILE A 89 -3.353 -0.367 -16.388 1.00 0.00 C ATOM 0 H ILE A 89 -2.327 0.789 -12.945 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.089 0.977 -12.811 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.416 -1.364 -13.746 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.310 1.154 -15.215 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.669 0.795 -14.718 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.336 -1.787 -15.254 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.809 -1.900 -13.542 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.228 -0.452 -14.488 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.976 0.351 -17.116 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.619 -1.161 -16.247 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.287 -0.796 -16.752 1.00 0.00 H new ATOM 94 N ASN A 90 -6.118 -0.583 -11.183 1.00 0.00 N ATOM 95 CA ASN A 90 -6.810 -1.241 -10.075 1.00 0.00 C ATOM 96 C ASN A 90 -6.362 -0.732 -8.693 1.00 0.00 C ATOM 97 O ASN A 90 -6.503 -1.447 -7.698 1.00 0.00 O ATOM 98 CB ASN A 90 -6.788 -2.780 -10.197 1.00 0.00 C ATOM 99 CG ASN A 90 -7.544 -3.298 -11.415 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.643 -2.840 -11.714 1.00 0.00 O ATOM 101 ND2 ASN A 90 -6.984 -4.252 -12.146 1.00 0.00 N ATOM 0 H ASN A 90 -6.758 -0.064 -11.784 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.857 -0.950 -10.157 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -5.753 -3.119 -10.249 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.221 -3.215 -9.297 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.467 -4.614 -12.968 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.070 -4.624 -11.886 1.00 0.00 H new ATOM 108 N GLU A 91 -5.864 0.504 -8.598 1.00 0.00 N ATOM 109 CA GLU A 91 -5.578 1.195 -7.344 1.00 0.00 C ATOM 110 C GLU A 91 -6.098 2.638 -7.451 1.00 0.00 C ATOM 111 O GLU A 91 -6.510 3.080 -8.530 1.00 0.00 O ATOM 112 CB GLU A 91 -4.068 1.067 -7.038 1.00 0.00 C ATOM 113 CG GLU A 91 -3.563 1.673 -5.719 1.00 0.00 C ATOM 114 CD GLU A 91 -4.269 1.126 -4.466 1.00 0.00 C ATOM 115 OE1 GLU A 91 -5.411 1.561 -4.195 1.00 0.00 O ATOM 116 OE2 GLU A 91 -3.671 0.278 -3.764 1.00 0.00 O ATOM 0 H GLU A 91 -5.643 1.067 -9.420 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.094 0.750 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.811 0.008 -7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.517 1.532 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.493 1.485 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.695 2.754 -5.754 1.00 0.00 H new ATOM 123 N GLN A 92 -6.165 3.346 -6.325 1.00 0.00 N ATOM 124 CA GLN A 92 -6.742 4.682 -6.213 1.00 0.00 C ATOM 125 C GLN A 92 -5.909 5.763 -6.906 1.00 0.00 C ATOM 126 O GLN A 92 -4.689 5.660 -7.014 1.00 0.00 O ATOM 127 CB GLN A 92 -6.895 5.073 -4.730 1.00 0.00 C ATOM 128 CG GLN A 92 -8.029 4.297 -4.055 1.00 0.00 C ATOM 129 CD GLN A 92 -8.309 4.816 -2.637 1.00 0.00 C ATOM 130 OE1 GLN A 92 -7.443 4.796 -1.765 1.00 0.00 O ATOM 131 NE2 GLN A 92 -9.519 5.292 -2.370 1.00 0.00 N ATOM 0 H GLN A 92 -5.807 2.993 -5.437 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.710 4.631 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.959 4.881 -4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.090 6.143 -4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.934 4.378 -4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.770 3.239 -4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.234 5.306 -3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.734 5.644 -1.437 1.00 0.00 H new ATOM 140 N VAL A 93 -6.588 6.847 -7.266 1.00 0.00 N ATOM 141 CA VAL A 93 -6.057 8.117 -7.736 1.00 0.00 C ATOM 142 C VAL A 93 -7.056 9.198 -7.329 1.00 0.00 C ATOM 143 O VAL A 93 -8.212 8.901 -7.019 1.00 0.00 O ATOM 144 CB VAL A 93 -5.852 8.153 -9.268 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.498 7.553 -9.661 1.00 0.00 C ATOM 146 CG2 VAL A 93 -7.019 7.530 -10.053 1.00 0.00 C ATOM 0 H VAL A 93 -7.607 6.858 -7.233 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.074 8.274 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.842 9.204 -9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.383 7.593 -10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.697 8.123 -9.190 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.449 6.516 -9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.811 7.588 -11.121 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.137 6.486 -9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.937 8.074 -9.832 1.00 0.00 H new ATOM 156 N LEU A 94 -6.621 10.452 -7.325 1.00 0.00 N ATOM 157 CA LEU A 94 -7.486 11.608 -7.198 1.00 0.00 C ATOM 158 C LEU A 94 -7.721 12.046 -8.633 1.00 0.00 C ATOM 159 O LEU A 94 -6.748 12.233 -9.368 1.00 0.00 O ATOM 160 CB LEU A 94 -6.780 12.745 -6.436 1.00 0.00 C ATOM 161 CG LEU A 94 -6.847 12.692 -4.899 1.00 0.00 C ATOM 162 CD1 LEU A 94 -6.212 13.977 -4.355 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.274 12.561 -4.347 1.00 0.00 C ATOM 0 H LEU A 94 -5.634 10.694 -7.412 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.400 11.375 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.731 12.752 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.209 13.692 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.312 11.799 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.246 13.967 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.175 14.039 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.763 14.841 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.241 12.530 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.868 13.417 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.727 11.643 -4.723 1.00 0.00 H new ATOM 175 N ALA A 95 -8.977 12.213 -9.041 1.00 0.00 N ATOM 176 CA ALA A 95 -9.340 12.586 -10.400 1.00 0.00 C ATOM 177 C ALA A 95 -10.438 13.645 -10.359 1.00 0.00 C ATOM 178 O ALA A 95 -11.291 13.612 -9.470 1.00 0.00 O ATOM 179 CB ALA A 95 -9.814 11.338 -11.158 1.00 0.00 C ATOM 0 H ALA A 95 -9.781 12.090 -8.425 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.476 13.002 -10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.087 11.613 -12.177 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.011 10.601 -11.184 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.681 10.913 -10.652 1.00 0.00 H new ATOM 185 N SER A 96 -10.419 14.572 -11.315 1.00 0.00 N ATOM 186 CA SER A 96 -11.418 15.629 -11.415 1.00 0.00 C ATOM 187 C SER A 96 -12.772 15.034 -11.809 1.00 0.00 C ATOM 188 O SER A 96 -12.968 14.588 -12.944 1.00 0.00 O ATOM 189 CB SER A 96 -10.945 16.712 -12.394 1.00 0.00 C ATOM 190 OG SER A 96 -10.131 17.633 -11.690 1.00 0.00 O ATOM 0 H SER A 96 -9.706 14.609 -12.044 1.00 0.00 H new ATOM 0 HA SER A 96 -11.546 16.108 -10.444 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.385 16.262 -13.214 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.801 17.223 -12.835 1.00 0.00 H new ATOM 0 HG SER A 96 -9.543 17.146 -11.075 1.00 0.00 H new ATOM 196 N TRP A 97 -13.690 15.008 -10.841 1.00 0.00 N ATOM 197 CA TRP A 97 -15.093 14.677 -11.048 1.00 0.00 C ATOM 198 C TRP A 97 -15.771 15.795 -11.845 1.00 0.00 C ATOM 199 O TRP A 97 -15.238 16.905 -11.935 1.00 0.00 O ATOM 200 CB TRP A 97 -15.764 14.420 -9.706 1.00 0.00 C ATOM 201 CG TRP A 97 -17.106 13.751 -9.723 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.516 12.737 -10.521 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.242 14.047 -8.871 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.815 12.388 -10.198 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.293 13.126 -9.135 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.446 14.985 -7.851 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.463 13.097 -8.357 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.612 14.981 -7.067 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.610 14.021 -7.303 1.00 0.00 C ATOM 0 H TRP A 97 -13.468 15.223 -9.869 1.00 0.00 H new ATOM 0 HA TRP A 97 -15.186 13.761 -11.632 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.091 13.810 -9.104 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.871 15.376 -9.194 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.920 12.272 -11.292 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -19.354 11.672 -10.686 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.688 15.730 -7.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -21.240 12.376 -8.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -19.741 15.714 -6.285 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.490 13.991 -6.677 1.00 0.00 H new ATOM 220 N SER A 98 -16.951 15.522 -12.407 1.00 0.00 N ATOM 221 CA SER A 98 -17.758 16.495 -13.144 1.00 0.00 C ATOM 222 C SER A 98 -18.116 17.745 -12.310 1.00 0.00 C ATOM 223 O SER A 98 -18.472 18.783 -12.872 1.00 0.00 O ATOM 224 CB SER A 98 -19.029 15.799 -13.651 1.00 0.00 C ATOM 225 OG SER A 98 -18.711 14.547 -14.261 1.00 0.00 O ATOM 0 H SER A 98 -17.381 14.598 -12.361 1.00 0.00 H new ATOM 0 HA SER A 98 -17.162 16.858 -13.981 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.718 15.640 -12.821 1.00 0.00 H new ATOM 0 HB3 SER A 98 -19.538 16.440 -14.370 1.00 0.00 H new ATOM 0 HG SER A 98 -19.534 14.118 -14.576 1.00 0.00 H new ATOM 231 N ASP A 99 -18.004 17.662 -10.978 1.00 0.00 N ATOM 232 CA ASP A 99 -18.109 18.789 -10.044 1.00 0.00 C ATOM 233 C ASP A 99 -16.965 19.819 -10.190 1.00 0.00 C ATOM 234 O ASP A 99 -17.038 20.907 -9.617 1.00 0.00 O ATOM 235 CB ASP A 99 -18.143 18.222 -8.630 1.00 0.00 C ATOM 236 CG ASP A 99 -18.256 19.300 -7.545 1.00 0.00 C ATOM 237 OD1 ASP A 99 -19.287 20.011 -7.481 1.00 0.00 O ATOM 238 OD2 ASP A 99 -17.297 19.427 -6.746 1.00 0.00 O ATOM 0 H ASP A 99 -17.831 16.775 -10.504 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.023 19.338 -10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.987 17.537 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.239 17.638 -8.459 1.00 0.00 H new ATOM 243 N SER A 100 -15.914 19.470 -10.942 1.00 0.00 N ATOM 244 CA SER A 100 -14.807 20.311 -11.411 1.00 0.00 C ATOM 245 C SER A 100 -13.570 20.327 -10.496 1.00 0.00 C ATOM 246 O SER A 100 -12.724 21.215 -10.634 1.00 0.00 O ATOM 247 CB SER A 100 -15.262 21.722 -11.847 1.00 0.00 C ATOM 248 OG SER A 100 -16.368 21.665 -12.747 1.00 0.00 O ATOM 0 H SER A 100 -15.808 18.509 -11.266 1.00 0.00 H new ATOM 0 HA SER A 100 -14.457 19.811 -12.314 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.538 22.303 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.431 22.241 -12.324 1.00 0.00 H new ATOM 0 HG SER A 100 -16.631 22.574 -13.001 1.00 0.00 H new ATOM 254 N ARG A 101 -13.422 19.354 -9.586 1.00 0.00 N ATOM 255 CA ARG A 101 -12.187 19.152 -8.819 1.00 0.00 C ATOM 256 C ARG A 101 -12.072 17.708 -8.352 1.00 0.00 C ATOM 257 O ARG A 101 -12.923 16.878 -8.674 1.00 0.00 O ATOM 258 CB ARG A 101 -12.024 20.156 -7.658 1.00 0.00 C ATOM 259 CG ARG A 101 -12.985 19.976 -6.464 1.00 0.00 C ATOM 260 CD ARG A 101 -14.401 20.511 -6.713 1.00 0.00 C ATOM 261 NE ARG A 101 -14.440 21.986 -6.777 1.00 0.00 N ATOM 262 CZ ARG A 101 -15.556 22.725 -6.740 1.00 0.00 C ATOM 263 NH1 ARG A 101 -16.746 22.141 -6.673 1.00 0.00 N ATOM 264 NH2 ARG A 101 -15.472 24.054 -6.768 1.00 0.00 N ATOM 0 H ARG A 101 -14.158 18.684 -9.361 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.356 19.354 -9.494 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.001 20.089 -7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.154 21.163 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -13.047 18.916 -6.218 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.565 20.481 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.784 20.099 -7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -15.062 20.166 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.550 22.479 -6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.814 21.124 -6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -17.592 22.710 -6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.559 24.506 -6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.321 24.619 -6.740 1.00 0.00 H new ATOM 278 N PHE A 102 -10.988 17.416 -7.636 1.00 0.00 N ATOM 279 CA PHE A 102 -10.586 16.068 -7.282 1.00 0.00 C ATOM 280 C PHE A 102 -11.487 15.402 -6.248 1.00 0.00 C ATOM 281 O PHE A 102 -11.887 16.018 -5.258 1.00 0.00 O ATOM 282 CB PHE A 102 -9.130 16.084 -6.787 1.00 0.00 C ATOM 283 CG PHE A 102 -8.108 16.634 -7.774 1.00 0.00 C ATOM 284 CD1 PHE A 102 -8.336 16.547 -9.159 1.00 0.00 C ATOM 285 CD2 PHE A 102 -6.920 17.243 -7.318 1.00 0.00 C ATOM 286 CE1 PHE A 102 -7.424 17.083 -10.070 1.00 0.00 C ATOM 287 CE2 PHE A 102 -5.983 17.749 -8.243 1.00 0.00 C ATOM 288 CZ PHE A 102 -6.231 17.656 -9.624 1.00 0.00 C ATOM 0 H PHE A 102 -10.354 18.131 -7.280 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.680 15.467 -8.186 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.082 16.676 -5.873 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.843 15.066 -6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.228 16.059 -9.523 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.727 17.322 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.643 17.054 -11.127 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.072 18.209 -7.889 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.505 18.025 -10.334 1.00 0.00 H new ATOM 298 N TYR A 103 -11.696 14.103 -6.477 1.00 0.00 N ATOM 299 CA TYR A 103 -12.313 13.119 -5.599 1.00 0.00 C ATOM 300 C TYR A 103 -11.573 11.801 -5.874 1.00 0.00 C ATOM 301 O TYR A 103 -10.926 11.688 -6.927 1.00 0.00 O ATOM 302 CB TYR A 103 -13.810 12.967 -5.919 1.00 0.00 C ATOM 303 CG TYR A 103 -14.661 14.186 -5.633 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.738 15.209 -6.592 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.377 14.304 -4.427 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.540 16.339 -6.376 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.203 15.425 -4.208 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.278 16.456 -5.175 1.00 0.00 C ATOM 309 OH TYR A 103 -17.065 17.539 -4.924 1.00 0.00 O ATOM 0 H TYR A 103 -11.411 13.681 -7.361 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.241 13.416 -4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.915 12.711 -6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.203 12.127 -5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.172 15.124 -7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.294 13.537 -3.671 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.594 17.117 -7.124 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -16.781 15.498 -3.299 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.875 18.241 -5.581 1.00 0.00 H new ATOM 319 N PRO A 104 -11.624 10.799 -4.978 1.00 0.00 N ATOM 320 CA PRO A 104 -10.984 9.518 -5.236 1.00 0.00 C ATOM 321 C PRO A 104 -11.703 8.759 -6.362 1.00 0.00 C ATOM 322 O PRO A 104 -12.925 8.844 -6.505 1.00 0.00 O ATOM 323 CB PRO A 104 -11.005 8.780 -3.893 1.00 0.00 C ATOM 324 CG PRO A 104 -12.215 9.372 -3.176 1.00 0.00 C ATOM 325 CD PRO A 104 -12.218 10.824 -3.648 1.00 0.00 C ATOM 0 HA PRO A 104 -9.959 9.624 -5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.107 7.703 -4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.086 8.945 -3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.137 8.857 -3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.117 9.300 -2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.231 11.226 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.643 11.458 -2.973 1.00 0.00 H new ATOM 333 N ALA A 105 -10.930 7.991 -7.127 1.00 0.00 N ATOM 334 CA ALA A 105 -11.376 7.148 -8.227 1.00 0.00 C ATOM 335 C ALA A 105 -10.396 5.980 -8.371 1.00 0.00 C ATOM 336 O ALA A 105 -9.260 6.056 -7.902 1.00 0.00 O ATOM 337 CB ALA A 105 -11.398 7.990 -9.511 1.00 0.00 C ATOM 0 H ALA A 105 -9.921 7.940 -6.986 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.376 6.757 -8.040 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.730 7.372 -10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.083 8.828 -9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.396 8.368 -9.716 1.00 0.00 H new ATOM 343 N LYS A 106 -10.819 4.909 -9.041 1.00 0.00 N ATOM 344 CA LYS A 106 -10.012 3.727 -9.353 1.00 0.00 C ATOM 345 C LYS A 106 -9.370 3.947 -10.727 1.00 0.00 C ATOM 346 O LYS A 106 -10.075 4.317 -11.664 1.00 0.00 O ATOM 347 CB LYS A 106 -10.970 2.515 -9.325 1.00 0.00 C ATOM 348 CG LYS A 106 -10.337 1.154 -9.651 1.00 0.00 C ATOM 349 CD LYS A 106 -11.370 0.032 -9.431 1.00 0.00 C ATOM 350 CE LYS A 106 -10.777 -1.348 -9.761 1.00 0.00 C ATOM 351 NZ LYS A 106 -11.752 -2.455 -9.553 1.00 0.00 N ATOM 0 H LYS A 106 -11.772 4.837 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.207 3.549 -8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.422 2.456 -8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.778 2.698 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.989 1.143 -10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.465 0.987 -9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.710 0.046 -8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.245 0.213 -10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.440 -1.356 -10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.899 -1.520 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.302 -3.363 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.056 -2.468 -8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.579 -2.309 -10.166 1.00 0.00 H new ATOM 365 N VAL A 107 -8.066 3.728 -10.885 1.00 0.00 N ATOM 366 CA VAL A 107 -7.420 3.751 -12.203 1.00 0.00 C ATOM 367 C VAL A 107 -7.919 2.542 -12.994 1.00 0.00 C ATOM 368 O VAL A 107 -7.871 1.421 -12.479 1.00 0.00 O ATOM 369 CB VAL A 107 -5.886 3.667 -12.065 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.169 3.714 -13.425 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.285 4.795 -11.228 1.00 0.00 C ATOM 0 H VAL A 107 -7.429 3.531 -10.113 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.667 4.683 -12.711 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.729 2.709 -11.570 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.092 3.652 -13.271 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.497 2.875 -14.038 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.409 4.649 -13.931 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.203 4.671 -11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.518 5.755 -11.690 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.704 4.765 -10.222 1.00 0.00 H new ATOM 381 N THR A 108 -8.292 2.744 -14.257 1.00 0.00 N ATOM 382 CA THR A 108 -8.616 1.665 -15.181 1.00 0.00 C ATOM 383 C THR A 108 -7.551 1.581 -16.298 1.00 0.00 C ATOM 384 O THR A 108 -7.250 0.476 -16.751 1.00 0.00 O ATOM 385 CB THR A 108 -10.064 1.842 -15.668 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.257 3.153 -16.170 1.00 0.00 O ATOM 387 CG2 THR A 108 -11.057 1.656 -14.515 1.00 0.00 C ATOM 0 H THR A 108 -8.378 3.673 -14.669 1.00 0.00 H new ATOM 0 HA THR A 108 -8.579 0.693 -14.689 1.00 0.00 H new ATOM 0 HB THR A 108 -10.235 1.095 -16.443 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.182 3.252 -16.478 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.074 1.786 -14.886 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.948 0.654 -14.099 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.856 2.395 -13.739 1.00 0.00 H new ATOM 395 N ALA A 109 -6.932 2.702 -16.708 1.00 0.00 N ATOM 396 CA ALA A 109 -5.755 2.723 -17.583 1.00 0.00 C ATOM 397 C ALA A 109 -4.918 3.975 -17.321 1.00 0.00 C ATOM 398 O ALA A 109 -5.397 4.948 -16.740 1.00 0.00 O ATOM 399 CB ALA A 109 -6.164 2.621 -19.060 1.00 0.00 C ATOM 0 H ALA A 109 -7.244 3.633 -16.434 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.140 1.852 -17.355 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.272 2.639 -19.687 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.704 1.689 -19.224 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.806 3.463 -19.319 1.00 0.00 H new ATOM 405 N VAL A 110 -3.676 3.961 -17.799 1.00 0.00 N ATOM 406 CA VAL A 110 -2.759 5.093 -17.813 1.00 0.00 C ATOM 407 C VAL A 110 -2.048 5.017 -19.174 1.00 0.00 C ATOM 408 O VAL A 110 -1.763 3.912 -19.649 1.00 0.00 O ATOM 409 CB VAL A 110 -1.764 4.979 -16.637 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.842 6.206 -16.548 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.466 4.823 -15.280 1.00 0.00 C ATOM 0 H VAL A 110 -3.265 3.121 -18.205 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.266 6.050 -17.691 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.180 4.083 -16.847 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -0.157 6.087 -15.708 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.271 6.299 -17.471 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.443 7.103 -16.401 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.719 4.747 -14.490 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.101 5.690 -15.097 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.077 3.921 -15.288 1.00 0.00 H new ATOM 421 N ASN A 111 -1.768 6.163 -19.803 1.00 0.00 N ATOM 422 CA ASN A 111 -1.188 6.240 -21.142 1.00 0.00 C ATOM 423 C ASN A 111 -0.014 7.213 -21.064 1.00 0.00 C ATOM 424 O ASN A 111 -0.212 8.385 -20.734 1.00 0.00 O ATOM 425 CB ASN A 111 -2.221 6.755 -22.169 1.00 0.00 C ATOM 426 CG ASN A 111 -3.558 6.012 -22.181 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.611 4.787 -22.257 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.668 6.736 -22.107 1.00 0.00 N ATOM 0 H ASN A 111 -1.942 7.077 -19.386 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.868 5.250 -21.468 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.412 7.809 -21.970 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.781 6.693 -23.164 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.578 6.276 -22.113 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.611 7.752 -22.044 1.00 0.00 H new ATOM 435 N LYS A 112 1.203 6.746 -21.366 1.00 0.00 N ATOM 436 CA LYS A 112 2.439 7.521 -21.180 1.00 0.00 C ATOM 437 C LYS A 112 2.463 8.808 -22.014 1.00 0.00 C ATOM 438 O LYS A 112 3.185 9.743 -21.666 1.00 0.00 O ATOM 439 CB LYS A 112 3.650 6.601 -21.448 1.00 0.00 C ATOM 440 CG LYS A 112 4.981 7.136 -20.890 1.00 0.00 C ATOM 441 CD LYS A 112 5.881 7.795 -21.950 1.00 0.00 C ATOM 442 CE LYS A 112 7.128 8.383 -21.269 1.00 0.00 C ATOM 443 NZ LYS A 112 8.070 9.000 -22.243 1.00 0.00 N ATOM 0 H LYS A 112 1.361 5.814 -21.749 1.00 0.00 H new ATOM 0 HA LYS A 112 2.489 7.868 -20.148 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.453 5.622 -21.011 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.751 6.456 -22.524 1.00 0.00 H new ATOM 0 HG2 LYS A 112 4.769 7.862 -20.105 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.526 6.314 -20.425 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.175 7.061 -22.700 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.333 8.581 -22.470 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.821 9.133 -20.540 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.643 7.596 -20.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.894 9.382 -21.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.386 8.280 -22.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.589 9.770 -22.751 1.00 0.00 H new ATOM 457 N ASP A 113 1.649 8.887 -23.076 1.00 0.00 N ATOM 458 CA ASP A 113 1.428 10.110 -23.857 1.00 0.00 C ATOM 459 C ASP A 113 1.025 11.302 -22.977 1.00 0.00 C ATOM 460 O ASP A 113 1.396 12.439 -23.278 1.00 0.00 O ATOM 461 CB ASP A 113 0.352 9.860 -24.915 1.00 0.00 C ATOM 462 CG ASP A 113 0.091 11.125 -25.752 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.951 11.480 -26.595 1.00 0.00 O ATOM 464 OD2 ASP A 113 -0.972 11.765 -25.576 1.00 0.00 O ATOM 0 H ASP A 113 1.117 8.088 -23.422 1.00 0.00 H new ATOM 0 HA ASP A 113 2.373 10.365 -24.336 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.664 9.046 -25.569 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.572 9.544 -24.431 1.00 0.00 H new ATOM 469 N GLY A 114 0.316 11.049 -21.868 1.00 0.00 N ATOM 470 CA GLY A 114 -0.014 12.048 -20.854 1.00 0.00 C ATOM 471 C GLY A 114 -1.467 11.970 -20.395 1.00 0.00 C ATOM 472 O GLY A 114 -2.017 12.991 -19.976 1.00 0.00 O ATOM 0 H GLY A 114 -0.050 10.122 -21.651 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.641 11.915 -19.993 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.183 13.043 -21.254 1.00 0.00 H new ATOM 476 N THR A 115 -2.121 10.808 -20.502 1.00 0.00 N ATOM 477 CA THR A 115 -3.549 10.676 -20.239 1.00 0.00 C ATOM 478 C THR A 115 -3.818 9.491 -19.310 1.00 0.00 C ATOM 479 O THR A 115 -2.936 8.679 -19.011 1.00 0.00 O ATOM 480 CB THR A 115 -4.356 10.675 -21.558 1.00 0.00 C ATOM 481 OG1 THR A 115 -4.012 9.573 -22.368 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.110 11.942 -22.388 1.00 0.00 C ATOM 0 H THR A 115 -1.670 9.935 -20.774 1.00 0.00 H new ATOM 0 HA THR A 115 -3.908 11.550 -19.695 1.00 0.00 H new ATOM 0 HB THR A 115 -5.404 10.624 -21.261 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.539 9.597 -23.194 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.698 11.896 -23.305 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.406 12.818 -21.811 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.052 12.013 -22.639 1.00 0.00 H new ATOM 490 N TYR A 116 -5.052 9.417 -18.826 1.00 0.00 N ATOM 491 CA TYR A 116 -5.522 8.547 -17.769 1.00 0.00 C ATOM 492 C TYR A 116 -6.920 8.071 -18.135 1.00 0.00 C ATOM 493 O TYR A 116 -7.654 8.795 -18.807 1.00 0.00 O ATOM 494 CB TYR A 116 -5.643 9.396 -16.491 1.00 0.00 C ATOM 495 CG TYR A 116 -4.447 9.351 -15.565 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.304 8.279 -14.664 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.483 10.377 -15.598 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.225 8.256 -13.760 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.408 10.364 -14.688 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.283 9.310 -13.758 1.00 0.00 C ATOM 501 OH TYR A 116 -1.252 9.317 -12.865 1.00 0.00 O ATOM 0 H TYR A 116 -5.799 10.008 -19.192 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.846 7.703 -17.628 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.819 10.432 -16.779 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.522 9.065 -15.938 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.023 7.473 -14.666 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.568 11.174 -16.322 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.117 7.434 -13.068 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.679 11.161 -14.702 1.00 0.00 H new ATOM 0 HH TYR A 116 -1.162 8.428 -12.462 1.00 0.00 H new ATOM 511 N THR A 117 -7.325 6.931 -17.590 1.00 0.00 N ATOM 512 CA THR A 117 -8.696 6.454 -17.646 1.00 0.00 C ATOM 513 C THR A 117 -9.005 5.998 -16.225 1.00 0.00 C ATOM 514 O THR A 117 -8.183 5.328 -15.588 1.00 0.00 O ATOM 515 CB THR A 117 -8.877 5.342 -18.699 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.150 5.644 -19.885 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.356 5.174 -19.070 1.00 0.00 C ATOM 0 H THR A 117 -6.697 6.303 -17.089 1.00 0.00 H new ATOM 0 HA THR A 117 -9.393 7.228 -17.968 1.00 0.00 H new ATOM 0 HB THR A 117 -8.500 4.418 -18.259 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.277 4.925 -20.539 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.457 4.384 -19.814 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.927 4.909 -18.180 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.737 6.109 -19.480 1.00 0.00 H new ATOM 525 N VAL A 118 -10.151 6.413 -15.693 1.00 0.00 N ATOM 526 CA VAL A 118 -10.514 6.183 -14.304 1.00 0.00 C ATOM 527 C VAL A 118 -11.979 5.784 -14.247 1.00 0.00 C ATOM 528 O VAL A 118 -12.769 6.165 -15.115 1.00 0.00 O ATOM 529 CB VAL A 118 -10.232 7.441 -13.447 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.729 7.756 -13.348 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.963 8.696 -13.955 1.00 0.00 C ATOM 0 H VAL A 118 -10.859 6.923 -16.222 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.908 5.377 -13.890 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.617 7.190 -12.459 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.583 8.647 -12.737 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.210 6.913 -12.891 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.327 7.931 -14.346 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.723 9.542 -13.311 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.645 8.914 -14.975 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -12.039 8.522 -13.940 1.00 0.00 H new ATOM 541 N LYS A 119 -12.348 5.073 -13.184 1.00 0.00 N ATOM 542 CA LYS A 119 -13.715 4.736 -12.829 1.00 0.00 C ATOM 543 C LYS A 119 -13.969 5.350 -11.463 1.00 0.00 C ATOM 544 O LYS A 119 -13.231 5.076 -10.518 1.00 0.00 O ATOM 545 CB LYS A 119 -13.862 3.209 -12.833 1.00 0.00 C ATOM 546 CG LYS A 119 -15.221 2.730 -12.304 1.00 0.00 C ATOM 547 CD LYS A 119 -15.386 1.223 -12.558 1.00 0.00 C ATOM 548 CE LYS A 119 -16.778 0.763 -12.089 1.00 0.00 C ATOM 549 NZ LYS A 119 -17.016 -0.686 -12.345 1.00 0.00 N ATOM 0 H LYS A 119 -11.668 4.702 -12.520 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.449 5.125 -13.535 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.725 2.840 -13.849 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.069 2.773 -12.226 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.298 2.937 -11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -16.025 3.279 -12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.261 1.008 -13.619 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.612 0.669 -12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.883 0.962 -11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.542 1.349 -12.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.966 -0.946 -12.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.943 -0.875 -13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.305 -1.250 -11.837 1.00 0.00 H new ATOM 563 N PHE A 120 -14.990 6.186 -11.358 1.00 0.00 N ATOM 564 CA PHE A 120 -15.477 6.683 -10.080 1.00 0.00 C ATOM 565 C PHE A 120 -16.409 5.623 -9.490 1.00 0.00 C ATOM 566 O PHE A 120 -17.075 4.899 -10.229 1.00 0.00 O ATOM 567 CB PHE A 120 -16.201 8.016 -10.310 1.00 0.00 C ATOM 568 CG PHE A 120 -15.265 9.165 -10.642 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.696 9.940 -9.613 1.00 0.00 C ATOM 570 CD2 PHE A 120 -14.960 9.465 -11.984 1.00 0.00 C ATOM 571 CE1 PHE A 120 -13.852 11.020 -9.923 1.00 0.00 C ATOM 572 CE2 PHE A 120 -14.101 10.536 -12.292 1.00 0.00 C ATOM 573 CZ PHE A 120 -13.551 11.317 -11.262 1.00 0.00 C ATOM 0 H PHE A 120 -15.508 6.541 -12.162 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.662 6.864 -9.379 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -16.918 7.896 -11.122 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.772 8.269 -9.416 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.909 9.703 -8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -15.387 8.871 -12.779 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.434 11.623 -9.130 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.864 10.758 -13.322 1.00 0.00 H new ATOM 0 HZ PHE A 120 -12.898 12.144 -11.499 1.00 0.00 H new ATOM 583 N TYR A 121 -16.497 5.558 -8.158 1.00 0.00 N ATOM 584 CA TYR A 121 -17.267 4.533 -7.442 1.00 0.00 C ATOM 585 C TYR A 121 -18.768 4.597 -7.753 1.00 0.00 C ATOM 586 O TYR A 121 -19.458 3.577 -7.689 1.00 0.00 O ATOM 587 CB TYR A 121 -17.041 4.684 -5.932 1.00 0.00 C ATOM 588 CG TYR A 121 -15.577 4.686 -5.550 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.861 3.478 -5.509 1.00 0.00 C ATOM 590 CD2 TYR A 121 -14.929 5.898 -5.243 1.00 0.00 C ATOM 591 CE1 TYR A 121 -13.492 3.478 -5.191 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.562 5.903 -4.933 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.834 4.693 -4.906 1.00 0.00 C ATOM 594 OH TYR A 121 -11.505 4.699 -4.606 1.00 0.00 O ATOM 0 H TYR A 121 -16.031 6.222 -7.539 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.911 3.561 -7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.501 5.612 -5.593 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.545 3.870 -5.412 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -15.364 2.546 -5.722 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.485 6.824 -5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.944 2.548 -5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.064 6.836 -4.714 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.108 5.546 -4.898 1.00 0.00 H new ATOM 604 N ASP A 122 -19.264 5.787 -8.112 1.00 0.00 N ATOM 605 CA ASP A 122 -20.649 5.993 -8.539 1.00 0.00 C ATOM 606 C ASP A 122 -20.977 5.222 -9.830 1.00 0.00 C ATOM 607 O ASP A 122 -22.141 4.895 -10.074 1.00 0.00 O ATOM 608 CB ASP A 122 -20.893 7.491 -8.723 1.00 0.00 C ATOM 609 CG ASP A 122 -22.337 7.779 -9.173 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.270 7.620 -8.348 1.00 0.00 O ATOM 611 OD2 ASP A 122 -22.543 8.169 -10.347 1.00 0.00 O ATOM 0 H ASP A 122 -18.707 6.642 -8.113 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.312 5.602 -7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.693 8.011 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.195 7.886 -9.462 1.00 0.00 H new ATOM 616 N GLY A 123 -19.962 4.885 -10.638 1.00 0.00 N ATOM 617 CA GLY A 123 -20.060 4.006 -11.804 1.00 0.00 C ATOM 618 C GLY A 123 -19.580 4.668 -13.097 1.00 0.00 C ATOM 619 O GLY A 123 -19.375 3.971 -14.093 1.00 0.00 O ATOM 0 H GLY A 123 -19.015 5.233 -10.488 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.472 3.106 -11.624 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.096 3.690 -11.927 1.00 0.00 H new ATOM 623 N VAL A 124 -19.413 5.993 -13.107 1.00 0.00 N ATOM 624 CA VAL A 124 -18.943 6.745 -14.270 1.00 0.00 C ATOM 625 C VAL A 124 -17.498 6.329 -14.577 1.00 0.00 C ATOM 626 O VAL A 124 -16.690 6.137 -13.666 1.00 0.00 O ATOM 627 CB VAL A 124 -19.081 8.263 -13.999 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.639 9.123 -15.194 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.534 8.644 -13.664 1.00 0.00 C ATOM 0 H VAL A 124 -19.604 6.580 -12.295 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.549 6.522 -15.148 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.426 8.463 -13.151 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -18.758 10.178 -14.947 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.593 8.919 -15.422 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.253 8.883 -16.062 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.596 9.716 -13.479 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.181 8.382 -14.501 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -20.856 8.103 -12.774 1.00 0.00 H new ATOM 639 N VAL A 125 -17.163 6.253 -15.866 1.00 0.00 N ATOM 640 CA VAL A 125 -15.828 5.960 -16.372 1.00 0.00 C ATOM 641 C VAL A 125 -15.523 7.036 -17.417 1.00 0.00 C ATOM 642 O VAL A 125 -16.413 7.403 -18.193 1.00 0.00 O ATOM 643 CB VAL A 125 -15.795 4.535 -16.976 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.385 4.151 -17.460 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.255 3.460 -15.982 1.00 0.00 C ATOM 0 H VAL A 125 -17.843 6.400 -16.612 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.074 5.978 -15.585 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.487 4.569 -17.818 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.405 3.144 -17.877 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.059 4.854 -18.226 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.691 4.182 -16.620 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.212 2.481 -16.459 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.602 3.468 -15.109 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.279 3.667 -15.670 1.00 0.00 H new ATOM 655 N GLN A 126 -14.292 7.560 -17.444 1.00 0.00 N ATOM 656 CA GLN A 126 -13.890 8.586 -18.409 1.00 0.00 C ATOM 657 C GLN A 126 -12.386 8.538 -18.663 1.00 0.00 C ATOM 658 O GLN A 126 -11.622 8.112 -17.792 1.00 0.00 O ATOM 659 CB GLN A 126 -14.332 9.982 -17.921 1.00 0.00 C ATOM 660 CG GLN A 126 -13.765 10.436 -16.561 1.00 0.00 C ATOM 661 CD GLN A 126 -14.396 11.775 -16.159 1.00 0.00 C ATOM 662 OE1 GLN A 126 -13.912 12.844 -16.517 1.00 0.00 O ATOM 663 NE2 GLN A 126 -15.495 11.758 -15.411 1.00 0.00 N ATOM 0 H GLN A 126 -13.550 7.285 -16.800 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.388 8.384 -19.357 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -14.045 10.716 -18.674 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.420 9.996 -17.861 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.971 9.683 -15.800 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.682 10.538 -16.623 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -15.896 10.868 -15.114 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -15.937 12.635 -15.134 1.00 0.00 H new ATOM 672 N THR A 127 -11.974 9.028 -19.835 1.00 0.00 N ATOM 673 CA THR A 127 -10.575 9.267 -20.176 1.00 0.00 C ATOM 674 C THR A 127 -10.330 10.764 -19.936 1.00 0.00 C ATOM 675 O THR A 127 -11.180 11.597 -20.264 1.00 0.00 O ATOM 676 CB THR A 127 -10.277 8.845 -21.632 1.00 0.00 C ATOM 677 OG1 THR A 127 -10.868 7.583 -21.932 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.775 8.736 -21.908 1.00 0.00 C ATOM 0 H THR A 127 -12.619 9.274 -20.586 1.00 0.00 H new ATOM 0 HA THR A 127 -9.901 8.669 -19.562 1.00 0.00 H new ATOM 0 HB THR A 127 -10.704 9.625 -22.262 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.666 7.339 -22.860 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.616 8.437 -22.944 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.302 9.702 -21.733 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.336 7.991 -21.244 1.00 0.00 H new ATOM 686 N VAL A 128 -9.185 11.104 -19.348 1.00 0.00 N ATOM 687 CA VAL A 128 -8.841 12.426 -18.837 1.00 0.00 C ATOM 688 C VAL A 128 -7.326 12.628 -18.970 1.00 0.00 C ATOM 689 O VAL A 128 -6.599 11.702 -19.328 1.00 0.00 O ATOM 690 CB VAL A 128 -9.337 12.570 -17.373 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.780 13.080 -17.318 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.235 11.281 -16.533 1.00 0.00 C ATOM 0 H VAL A 128 -8.434 10.428 -19.209 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.335 13.206 -19.416 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.657 13.298 -16.930 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.095 13.169 -16.278 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.840 14.056 -17.800 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.434 12.379 -17.836 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.603 11.473 -15.525 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.835 10.497 -16.995 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.195 10.960 -16.484 1.00 0.00 H new ATOM 702 N LYS A 129 -6.831 13.837 -18.710 1.00 0.00 N ATOM 703 CA LYS A 129 -5.427 14.200 -18.919 1.00 0.00 C ATOM 704 C LYS A 129 -4.666 14.163 -17.598 1.00 0.00 C ATOM 705 O LYS A 129 -5.275 14.150 -16.530 1.00 0.00 O ATOM 706 CB LYS A 129 -5.364 15.594 -19.572 1.00 0.00 C ATOM 707 CG LYS A 129 -5.997 15.570 -20.973 1.00 0.00 C ATOM 708 CD LYS A 129 -5.831 16.923 -21.687 1.00 0.00 C ATOM 709 CE LYS A 129 -6.258 16.889 -23.166 1.00 0.00 C ATOM 710 NZ LYS A 129 -7.730 16.764 -23.359 1.00 0.00 N ATOM 0 H LYS A 129 -7.398 14.602 -18.344 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.951 13.480 -19.585 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.885 16.318 -18.945 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.327 15.921 -19.642 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.535 14.783 -21.569 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -7.057 15.328 -20.891 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.420 17.677 -21.164 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.788 17.233 -21.624 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.912 17.799 -23.657 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.763 16.053 -23.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -7.947 16.747 -24.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -8.064 15.883 -22.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -8.208 17.575 -22.917 1.00 0.00 H new ATOM 724 N HIS A 130 -3.334 14.223 -17.657 1.00 0.00 N ATOM 725 CA HIS A 130 -2.476 14.360 -16.475 1.00 0.00 C ATOM 726 C HIS A 130 -2.869 15.587 -15.638 1.00 0.00 C ATOM 727 O HIS A 130 -2.916 15.503 -14.415 1.00 0.00 O ATOM 728 CB HIS A 130 -1.007 14.414 -16.931 1.00 0.00 C ATOM 729 CG HIS A 130 0.009 14.746 -15.855 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.187 15.470 -16.078 1.00 0.00 N ATOM 731 CD2 HIS A 130 -0.057 14.406 -14.533 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.797 15.554 -14.883 1.00 0.00 C ATOM 733 NE2 HIS A 130 1.073 14.929 -13.939 1.00 0.00 N ATOM 0 H HIS A 130 -2.815 14.178 -18.534 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.609 13.496 -15.824 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.746 13.449 -17.365 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.921 15.155 -17.726 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.839 13.840 -14.049 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.738 16.054 -14.706 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.317 14.854 -12.952 1.00 0.00 H new ATOM 741 N ILE A 131 -3.252 16.700 -16.272 1.00 0.00 N ATOM 742 CA ILE A 131 -3.729 17.891 -15.553 1.00 0.00 C ATOM 743 C ILE A 131 -5.019 17.653 -14.744 1.00 0.00 C ATOM 744 O ILE A 131 -5.392 18.513 -13.942 1.00 0.00 O ATOM 745 CB ILE A 131 -3.879 19.094 -16.514 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.807 18.793 -17.714 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.485 19.541 -16.980 1.00 0.00 C ATOM 748 CD1 ILE A 131 -5.260 20.048 -18.469 1.00 0.00 C ATOM 0 H ILE A 131 -3.242 16.803 -17.287 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.961 18.126 -14.816 1.00 0.00 H new ATOM 0 HB ILE A 131 -4.361 19.906 -15.968 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.288 18.130 -18.406 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.686 18.257 -17.357 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.583 20.389 -17.658 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.889 19.834 -16.116 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.993 18.717 -17.497 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.908 19.760 -19.297 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.807 20.703 -17.791 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.388 20.574 -18.856 1.00 0.00 H new ATOM 760 N HIS A 132 -5.703 16.515 -14.923 1.00 0.00 N ATOM 761 CA HIS A 132 -6.963 16.209 -14.255 1.00 0.00 C ATOM 762 C HIS A 132 -6.821 15.105 -13.197 1.00 0.00 C ATOM 763 O HIS A 132 -7.797 14.830 -12.501 1.00 0.00 O ATOM 764 CB HIS A 132 -7.999 15.736 -15.289 1.00 0.00 C ATOM 765 CG HIS A 132 -8.239 16.638 -16.473 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.444 16.188 -17.781 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.297 18.001 -16.457 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.633 17.296 -18.517 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.551 18.394 -17.751 1.00 0.00 N ATOM 0 H HIS A 132 -5.386 15.773 -15.547 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.281 17.126 -13.759 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.685 14.761 -15.663 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.949 15.590 -14.775 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -8.169 18.644 -15.599 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.825 17.302 -19.580 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.659 19.356 -18.073 1.00 0.00 H new ATOM 777 N VAL A 133 -5.679 14.413 -13.109 1.00 0.00 N ATOM 778 CA VAL A 133 -5.513 13.215 -12.272 1.00 0.00 C ATOM 779 C VAL A 133 -4.124 13.177 -11.620 1.00 0.00 C ATOM 780 O VAL A 133 -3.116 13.477 -12.267 1.00 0.00 O ATOM 781 CB VAL A 133 -5.762 11.931 -13.107 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.794 10.665 -12.234 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.077 11.973 -13.899 1.00 0.00 C ATOM 0 H VAL A 133 -4.835 14.670 -13.621 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.253 13.259 -11.473 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.921 11.894 -13.799 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.971 9.793 -12.864 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.839 10.553 -11.720 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.594 10.750 -11.499 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.193 11.047 -14.462 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.914 12.085 -13.209 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.059 12.817 -14.589 1.00 0.00 H new ATOM 793 N LYS A 134 -4.047 12.731 -10.361 1.00 0.00 N ATOM 794 CA LYS A 134 -2.785 12.449 -9.665 1.00 0.00 C ATOM 795 C LYS A 134 -2.968 11.278 -8.691 1.00 0.00 C ATOM 796 O LYS A 134 -4.077 10.768 -8.540 1.00 0.00 O ATOM 797 CB LYS A 134 -2.242 13.739 -9.006 1.00 0.00 C ATOM 798 CG LYS A 134 -3.151 14.345 -7.918 1.00 0.00 C ATOM 799 CD LYS A 134 -2.549 15.654 -7.385 1.00 0.00 C ATOM 800 CE LYS A 134 -3.386 16.211 -6.221 1.00 0.00 C ATOM 801 NZ LYS A 134 -2.823 17.483 -5.675 1.00 0.00 N ATOM 0 H LYS A 134 -4.872 12.553 -9.788 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.024 12.130 -10.377 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.268 13.523 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -2.082 14.487 -9.783 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.143 14.534 -8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.274 13.634 -7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.526 15.479 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.501 16.390 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.407 16.385 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.437 15.468 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.592 18.063 -5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.137 17.265 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.347 18.007 -6.437 1.00 0.00 H new ATOM 815 N ALA A 135 -1.888 10.828 -8.047 1.00 0.00 N ATOM 816 CA ALA A 135 -1.917 9.815 -6.997 1.00 0.00 C ATOM 817 C ALA A 135 -2.783 10.264 -5.812 1.00 0.00 C ATOM 818 O ALA A 135 -3.131 11.440 -5.696 1.00 0.00 O ATOM 819 CB ALA A 135 -0.473 9.570 -6.543 1.00 0.00 C ATOM 0 H ALA A 135 -0.948 11.168 -8.249 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.358 8.897 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.462 8.816 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.120 9.221 -7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.049 10.499 -6.161 1.00 0.00 H new ATOM 825 N PHE A 136 -3.094 9.335 -4.893 1.00 0.00 N ATOM 826 CA PHE A 136 -3.714 9.734 -3.629 1.00 0.00 C ATOM 827 C PHE A 136 -2.722 10.531 -2.760 1.00 0.00 C ATOM 828 O PHE A 136 -3.155 11.216 -1.836 1.00 0.00 O ATOM 829 CB PHE A 136 -4.315 8.529 -2.889 1.00 0.00 C ATOM 830 CG PHE A 136 -5.377 8.916 -1.873 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.579 9.514 -2.304 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.170 8.685 -0.498 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.548 9.918 -1.367 1.00 0.00 C ATOM 834 CE2 PHE A 136 -6.148 9.070 0.437 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.330 9.697 0.003 1.00 0.00 C ATOM 0 H PHE A 136 -2.931 8.334 -4.999 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.548 10.399 -3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -4.751 7.845 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.516 7.988 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.757 9.663 -3.359 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.259 8.212 -0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.457 10.397 -1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -5.991 8.884 1.489 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.071 10.009 0.724 1.00 0.00 H new ATOM 845 N SER A 137 -1.416 10.508 -3.068 1.00 0.00 N ATOM 846 CA SER A 137 -0.425 11.384 -2.456 1.00 0.00 C ATOM 847 C SER A 137 -0.782 12.836 -2.796 1.00 0.00 C ATOM 848 O SER A 137 -0.852 13.199 -3.972 1.00 0.00 O ATOM 849 CB SER A 137 0.958 11.034 -3.021 1.00 0.00 C ATOM 850 OG SER A 137 1.247 9.663 -2.822 1.00 0.00 O ATOM 0 H SER A 137 -1.021 9.870 -3.759 1.00 0.00 H new ATOM 0 HA SER A 137 -0.413 11.258 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.991 11.267 -4.085 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.720 11.645 -2.537 1.00 0.00 H new ATOM 0 HG SER A 137 2.211 9.548 -2.687 1.00 0.00 H new ATOM 856 N LYS A 138 -1.020 13.669 -1.772 1.00 0.00 N ATOM 857 CA LYS A 138 -1.526 15.024 -1.992 1.00 0.00 C ATOM 858 C LYS A 138 -0.577 15.894 -2.823 1.00 0.00 C ATOM 859 O LYS A 138 -1.039 16.716 -3.613 1.00 0.00 O ATOM 860 CB LYS A 138 -1.856 15.720 -0.652 1.00 0.00 C ATOM 861 CG LYS A 138 -0.664 15.916 0.303 1.00 0.00 C ATOM 862 CD LYS A 138 -1.119 16.491 1.653 1.00 0.00 C ATOM 863 CE LYS A 138 0.091 16.680 2.581 1.00 0.00 C ATOM 864 NZ LYS A 138 -0.287 17.281 3.888 1.00 0.00 N ATOM 0 H LYS A 138 -0.870 13.427 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.443 14.912 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.292 16.696 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -2.619 15.136 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -0.162 14.962 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 138 0.064 16.587 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -1.622 17.446 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -1.842 15.821 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 138 0.569 15.715 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 138 0.826 17.317 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 0.562 17.389 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -0.719 18.214 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -0.969 16.661 4.371 1.00 0.00 H new ATOM 878 N ASP A 139 0.737 15.726 -2.649 1.00 0.00 N ATOM 879 CA ASP A 139 1.725 16.662 -3.193 1.00 0.00 C ATOM 880 C ASP A 139 2.060 16.453 -4.673 1.00 0.00 C ATOM 881 O ASP A 139 2.147 17.435 -5.413 1.00 0.00 O ATOM 882 CB ASP A 139 3.003 16.585 -2.353 1.00 0.00 C ATOM 883 CG ASP A 139 4.031 17.650 -2.773 1.00 0.00 C ATOM 884 OD1 ASP A 139 3.710 18.863 -2.727 1.00 0.00 O ATOM 885 OD2 ASP A 139 5.167 17.274 -3.146 1.00 0.00 O ATOM 0 H ASP A 139 1.143 14.946 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 139 1.271 17.651 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 139 2.754 16.716 -1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.445 15.594 -2.455 1.00 0.00 H new ATOM 890 N GLN A 140 2.230 15.201 -5.126 1.00 0.00 N ATOM 891 CA GLN A 140 2.771 14.890 -6.455 1.00 0.00 C ATOM 892 C GLN A 140 2.191 13.587 -7.020 1.00 0.00 C ATOM 893 O GLN A 140 1.660 12.750 -6.289 1.00 0.00 O ATOM 894 CB GLN A 140 4.305 14.755 -6.353 1.00 0.00 C ATOM 895 CG GLN A 140 5.061 16.090 -6.411 1.00 0.00 C ATOM 896 CD GLN A 140 6.555 15.892 -6.146 1.00 0.00 C ATOM 897 OE1 GLN A 140 7.284 15.362 -6.978 1.00 0.00 O ATOM 898 NE2 GLN A 140 7.044 16.307 -4.989 1.00 0.00 N ATOM 0 H GLN A 140 1.995 14.374 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 140 2.494 15.701 -7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.553 14.251 -5.419 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.657 14.116 -7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.920 16.548 -7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.646 16.778 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.429 16.747 -4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 140 8.036 16.187 -4.782 1.00 0.00 H new ATOM 907 N ASN A 141 2.342 13.409 -8.339 1.00 0.00 N ATOM 908 CA ASN A 141 2.039 12.159 -9.041 1.00 0.00 C ATOM 909 C ASN A 141 3.152 11.133 -8.800 1.00 0.00 C ATOM 910 O ASN A 141 4.236 11.515 -8.368 1.00 0.00 O ATOM 911 CB ASN A 141 1.932 12.443 -10.553 1.00 0.00 C ATOM 912 CG ASN A 141 1.003 11.468 -11.262 1.00 0.00 C ATOM 913 OD1 ASN A 141 1.210 10.268 -11.210 1.00 0.00 O ATOM 914 ND2 ASN A 141 -0.037 11.913 -11.930 1.00 0.00 N ATOM 0 H ASN A 141 2.684 14.144 -8.958 1.00 0.00 H new ATOM 0 HA ASN A 141 1.097 11.758 -8.666 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.571 13.460 -10.704 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.924 12.387 -11.002 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.661 11.256 -12.398 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -0.220 12.915 -11.980 1.00 0.00 H new ATOM 921 N ILE A 142 2.903 9.867 -9.154 1.00 0.00 N ATOM 922 CA ILE A 142 3.831 8.747 -9.007 1.00 0.00 C ATOM 923 C ILE A 142 3.980 7.956 -10.332 1.00 0.00 C ATOM 924 O ILE A 142 4.978 7.253 -10.494 1.00 0.00 O ATOM 925 CB ILE A 142 3.357 7.859 -7.823 1.00 0.00 C ATOM 926 CG1 ILE A 142 3.073 8.634 -6.511 1.00 0.00 C ATOM 927 CG2 ILE A 142 4.359 6.737 -7.518 1.00 0.00 C ATOM 928 CD1 ILE A 142 4.286 9.274 -5.841 1.00 0.00 C ATOM 0 H ILE A 142 2.013 9.587 -9.567 1.00 0.00 H new ATOM 0 HA ILE A 142 4.829 9.120 -8.778 1.00 0.00 H new ATOM 0 HB ILE A 142 2.411 7.443 -8.169 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.344 9.416 -6.724 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.608 7.950 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 142 3.992 6.138 -6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 142 4.474 6.103 -8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 142 5.323 7.172 -7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 142 3.971 9.789 -4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 142 5.011 8.501 -5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.743 9.990 -6.524 1.00 0.00 H new ATOM 940 N VAL A 143 3.050 8.066 -11.300 1.00 0.00 N ATOM 941 CA VAL A 143 3.070 7.270 -12.544 1.00 0.00 C ATOM 942 C VAL A 143 2.784 8.127 -13.788 1.00 0.00 C ATOM 943 O VAL A 143 3.410 7.905 -14.825 1.00 0.00 O ATOM 944 CB VAL A 143 2.141 6.034 -12.418 1.00 0.00 C ATOM 945 CG1 VAL A 143 0.652 6.385 -12.257 1.00 0.00 C ATOM 946 CG2 VAL A 143 2.293 5.076 -13.611 1.00 0.00 C ATOM 0 H VAL A 143 2.262 8.711 -11.242 1.00 0.00 H new ATOM 0 HA VAL A 143 4.081 6.890 -12.689 1.00 0.00 H new ATOM 0 HB VAL A 143 2.470 5.544 -11.501 1.00 0.00 H new ATOM 0 HG11 VAL A 143 0.069 5.468 -12.175 1.00 0.00 H new ATOM 0 HG12 VAL A 143 0.515 6.984 -11.357 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.316 6.953 -13.125 1.00 0.00 H new ATOM 0 HG21 VAL A 143 1.624 4.225 -13.482 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.040 5.600 -14.533 1.00 0.00 H new ATOM 0 HG23 VAL A 143 3.323 4.723 -13.666 1.00 0.00 H new ATOM 956 N GLY A 144 1.912 9.144 -13.694 1.00 0.00 N ATOM 957 CA GLY A 144 1.722 10.133 -14.758 1.00 0.00 C ATOM 958 C GLY A 144 3.041 10.842 -15.085 1.00 0.00 C ATOM 959 O GLY A 144 3.279 11.219 -16.235 1.00 0.00 O ATOM 0 H GLY A 144 1.321 9.300 -12.877 1.00 0.00 H new ATOM 0 HA2 GLY A 144 1.336 9.642 -15.652 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.977 10.866 -14.450 1.00 0.00 H new ATOM 963 N ASN A 145 3.913 10.977 -14.078 1.00 0.00 N ATOM 964 CA ASN A 145 5.298 11.417 -14.200 1.00 0.00 C ATOM 965 C ASN A 145 6.061 10.719 -13.067 1.00 0.00 C ATOM 966 O ASN A 145 5.462 10.416 -12.030 1.00 0.00 O ATOM 967 CB ASN A 145 5.378 12.950 -14.095 1.00 0.00 C ATOM 968 CG ASN A 145 6.747 13.512 -14.479 1.00 0.00 C ATOM 969 OD1 ASN A 145 7.657 12.792 -14.885 1.00 0.00 O ATOM 970 ND2 ASN A 145 6.929 14.818 -14.361 1.00 0.00 N ATOM 0 H ASN A 145 3.654 10.771 -13.113 1.00 0.00 H new ATOM 0 HA ASN A 145 5.732 11.157 -15.166 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.618 13.392 -14.740 1.00 0.00 H new ATOM 0 HB3 ASN A 145 5.143 13.250 -13.074 1.00 0.00 H new ATOM 0 HD21 ASN A 145 7.828 15.232 -14.608 1.00 0.00 H new ATOM 0 HD22 ASN A 145 6.170 15.410 -14.024 1.00 0.00 H new ATOM 977 N ALA A 146 7.353 10.445 -13.256 1.00 0.00 N ATOM 978 CA ALA A 146 8.202 9.705 -12.319 1.00 0.00 C ATOM 979 C ALA A 146 8.640 10.610 -11.159 1.00 0.00 C ATOM 980 O ALA A 146 9.816 10.956 -11.028 1.00 0.00 O ATOM 981 CB ALA A 146 9.387 9.092 -13.083 1.00 0.00 C ATOM 0 H ALA A 146 7.854 10.742 -14.093 1.00 0.00 H new ATOM 0 HA ALA A 146 7.641 8.885 -11.870 1.00 0.00 H new ATOM 0 HB1 ALA A 146 10.021 8.540 -12.389 1.00 0.00 H new ATOM 0 HB2 ALA A 146 9.014 8.414 -13.850 1.00 0.00 H new ATOM 0 HB3 ALA A 146 9.968 9.886 -13.552 1.00 0.00 H new ATOM 987 N ARG A 147 7.674 11.056 -10.355 1.00 0.00 N ATOM 988 CA ARG A 147 7.801 12.085 -9.321 1.00 0.00 C ATOM 989 C ARG A 147 7.295 11.530 -7.976 1.00 0.00 C ATOM 990 O ARG A 147 7.031 10.329 -7.862 1.00 0.00 O ATOM 991 CB ARG A 147 7.020 13.338 -9.806 1.00 0.00 C ATOM 992 CG ARG A 147 7.898 14.524 -10.246 1.00 0.00 C ATOM 993 CD ARG A 147 8.829 14.234 -11.435 1.00 0.00 C ATOM 994 NE ARG A 147 10.156 13.745 -11.011 1.00 0.00 N ATOM 995 CZ ARG A 147 11.200 14.472 -10.585 1.00 0.00 C ATOM 996 NH1 ARG A 147 11.118 15.799 -10.505 1.00 0.00 N ATOM 997 NH2 ARG A 147 12.330 13.859 -10.238 1.00 0.00 N ATOM 0 H ARG A 147 6.725 10.687 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 147 8.839 12.375 -9.157 1.00 0.00 H new ATOM 0 HB2 ARG A 147 6.382 13.049 -10.641 1.00 0.00 H new ATOM 0 HB3 ARG A 147 6.363 13.671 -9.003 1.00 0.00 H new ATOM 0 HG2 ARG A 147 7.249 15.360 -10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 147 8.504 14.843 -9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 147 8.363 13.493 -12.084 1.00 0.00 H new ATOM 0 HD3 ARG A 147 8.952 15.142 -12.025 1.00 0.00 H new ATOM 0 HE ARG A 147 10.296 12.735 -11.046 1.00 0.00 H new ATOM 0 HH11 ARG A 147 10.255 16.273 -10.769 1.00 0.00 H new ATOM 0 HH12 ARG A 147 11.919 16.341 -10.180 1.00 0.00 H new ATOM 0 HH21 ARG A 147 12.398 12.843 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 147 13.128 14.405 -9.913 1.00 0.00 H new ATOM 1011 N GLY A 200 7.187 12.416 -6.978 1.00 0.00 N ATOM 1012 CA GLY A 200 6.544 12.185 -5.691 1.00 0.00 C ATOM 1013 C GLY A 200 7.084 11.033 -4.849 1.00 0.00 C ATOM 1014 O GLY A 200 8.171 10.492 -5.074 1.00 0.00 O ATOM 0 H GLY A 200 7.567 13.359 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY A 200 6.621 13.100 -5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 200 5.483 12.008 -5.868 1.00 0.00 H new ATOM 1018 N SER A 201 6.284 10.740 -3.823 1.00 0.00 N ATOM 1019 CA SER A 201 6.536 9.825 -2.724 1.00 0.00 C ATOM 1020 C SER A 201 5.172 9.287 -2.264 1.00 0.00 C ATOM 1021 O SER A 201 4.142 9.933 -2.486 1.00 0.00 O ATOM 1022 CB SER A 201 7.202 10.639 -1.604 1.00 0.00 C ATOM 1023 OG SER A 201 8.539 10.996 -1.939 1.00 0.00 O ATOM 0 H SER A 201 5.366 11.178 -3.738 1.00 0.00 H new ATOM 0 HA SER A 201 7.181 8.992 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 201 6.621 11.541 -1.414 1.00 0.00 H new ATOM 0 HB3 SER A 201 7.200 10.059 -0.681 1.00 0.00 H new ATOM 0 HG SER A 201 8.933 11.514 -1.206 1.00 0.00 H new ATOM 1029 N ARG A 363 5.136 8.107 -1.639 1.00 0.00 N ATOM 1030 CA ARG A 363 3.890 7.529 -1.116 1.00 0.00 C ATOM 1031 C ARG A 363 3.384 8.418 0.027 1.00 0.00 C ATOM 1032 O ARG A 363 4.115 8.636 0.997 1.00 0.00 O ATOM 1033 CB ARG A 363 4.138 6.087 -0.631 1.00 0.00 C ATOM 1034 CG ARG A 363 4.434 5.102 -1.781 1.00 0.00 C ATOM 1035 CD ARG A 363 5.092 3.805 -1.281 1.00 0.00 C ATOM 1036 NE ARG A 363 4.295 3.118 -0.249 1.00 0.00 N ATOM 1037 CZ ARG A 363 3.374 2.166 -0.451 1.00 0.00 C ATOM 1038 NH1 ARG A 363 3.103 1.707 -1.667 1.00 0.00 N ATOM 1039 NH2 ARG A 363 2.712 1.665 0.590 1.00 0.00 N ATOM 0 H ARG A 363 5.961 7.528 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 363 3.134 7.487 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 363 4.976 6.084 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 363 3.264 5.740 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 363 3.505 4.860 -2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 363 5.088 5.582 -2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 363 5.243 3.131 -2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 363 6.078 4.036 -0.878 1.00 0.00 H new ATOM 0 HE ARG A 363 4.462 3.396 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 363 3.601 2.080 -2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 363 2.397 0.982 -1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 363 2.908 2.006 1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 363 2.009 0.940 0.446 1.00 0.00 H new ATOM 1053 N ALA A 364 2.160 8.939 -0.090 1.00 0.00 N ATOM 1054 CA ALA A 364 1.491 9.779 0.899 1.00 0.00 C ATOM 1055 C ALA A 364 -0.029 9.625 0.721 1.00 0.00 C ATOM 1056 O ALA A 364 -0.488 8.682 0.072 1.00 0.00 O ATOM 1057 CB ALA A 364 1.960 11.241 0.736 1.00 0.00 C ATOM 0 H ALA A 364 1.584 8.777 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 364 1.746 9.473 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 364 1.460 11.868 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 364 3.039 11.296 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 364 1.713 11.593 -0.266 1.00 0.00 H new ATOM 1063 N HIS A 365 -0.824 10.545 1.278 1.00 0.00 N ATOM 1064 CA HIS A 365 -2.286 10.532 1.207 1.00 0.00 C ATOM 1065 C HIS A 365 -2.842 11.958 1.120 1.00 0.00 C ATOM 1066 O HIS A 365 -2.066 12.915 1.047 1.00 0.00 O ATOM 1067 CB HIS A 365 -2.848 9.756 2.411 1.00 0.00 C ATOM 1068 CG HIS A 365 -2.505 10.363 3.754 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -3.175 11.431 4.365 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -1.487 9.955 4.570 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -2.542 11.637 5.533 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -1.527 10.765 5.682 1.00 0.00 N ATOM 0 H HIS A 365 -0.457 11.339 1.804 1.00 0.00 H new ATOM 0 HA HIS A 365 -2.604 10.022 0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -3.932 9.698 2.317 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -2.470 8.734 2.379 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -0.788 9.154 4.379 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -2.810 12.397 6.252 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -0.896 10.714 6.482 1.00 0.00 H new ATOM 1080 N SER A 366 -4.168 12.085 1.060 1.00 0.00 N ATOM 1081 CA SER A 366 -4.921 13.324 0.868 1.00 0.00 C ATOM 1082 C SER A 366 -6.281 13.216 1.586 1.00 0.00 C ATOM 1083 O SER A 366 -6.570 12.189 2.215 1.00 0.00 O ATOM 1084 CB SER A 366 -5.072 13.588 -0.641 1.00 0.00 C ATOM 1085 OG SER A 366 -5.518 12.445 -1.337 1.00 0.00 O ATOM 0 H SER A 366 -4.782 11.276 1.150 1.00 0.00 H new ATOM 0 HA SER A 366 -4.392 14.172 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 366 -5.777 14.405 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 366 -4.114 13.910 -1.050 1.00 0.00 H new ATOM 0 HG SER A 366 -4.745 11.943 -1.671 1.00 0.00 H new ATOM 1091 N SER A 367 -7.118 14.260 1.489 1.00 0.00 N ATOM 1092 CA SER A 367 -8.343 14.391 2.286 1.00 0.00 C ATOM 1093 C SER A 367 -9.586 14.726 1.444 1.00 0.00 C ATOM 1094 O SER A 367 -10.660 14.963 2.002 1.00 0.00 O ATOM 1095 CB SER A 367 -8.121 15.457 3.374 1.00 0.00 C ATOM 1096 OG SER A 367 -6.896 15.248 4.078 1.00 0.00 O ATOM 0 H SER A 367 -6.961 15.040 0.851 1.00 0.00 H new ATOM 0 HA SER A 367 -8.545 13.421 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 367 -8.114 16.447 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 367 -8.953 15.437 4.078 1.00 0.00 H new ATOM 0 HG SER A 367 -6.787 15.944 4.759 1.00 0.00 H new ATOM 1102 N HIS A 368 -9.474 14.740 0.110 1.00 0.00 N ATOM 1103 CA HIS A 368 -10.527 15.167 -0.822 1.00 0.00 C ATOM 1104 C HIS A 368 -11.588 14.067 -1.031 1.00 0.00 C ATOM 1105 O HIS A 368 -12.055 13.852 -2.150 1.00 0.00 O ATOM 1106 CB HIS A 368 -9.890 15.619 -2.152 1.00 0.00 C ATOM 1107 CG HIS A 368 -8.768 16.615 -1.990 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -7.458 16.301 -1.605 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -8.861 17.962 -2.190 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -6.796 17.472 -1.584 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -7.613 18.481 -1.932 1.00 0.00 N ATOM 0 H HIS A 368 -8.621 14.445 -0.366 1.00 0.00 H new ATOM 0 HA HIS A 368 -11.055 16.016 -0.388 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -9.511 14.742 -2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -10.663 16.058 -2.782 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -9.740 18.512 -2.491 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -5.754 17.585 -1.324 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -7.352 19.465 -1.994 1.00 0.00 H new ATOM 1119 N LEU A 369 -11.908 13.302 0.018 1.00 0.00 N ATOM 1120 CA LEU A 369 -12.908 12.241 -0.026 1.00 0.00 C ATOM 1121 C LEU A 369 -14.294 12.838 -0.305 1.00 0.00 C ATOM 1122 O LEU A 369 -14.583 13.976 0.077 1.00 0.00 O ATOM 1123 CB LEU A 369 -12.949 11.468 1.306 1.00 0.00 C ATOM 1124 CG LEU A 369 -11.636 10.772 1.723 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -11.835 10.071 3.070 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -11.165 9.746 0.685 1.00 0.00 C ATOM 0 H LEU A 369 -11.470 13.408 0.933 1.00 0.00 H new ATOM 0 HA LEU A 369 -12.634 11.552 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.237 12.161 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -13.733 10.713 1.242 1.00 0.00 H new ATOM 0 HG LEU A 369 -10.868 11.542 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -10.908 9.579 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -12.112 10.806 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -12.627 9.328 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -10.238 9.284 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -11.928 8.978 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -10.993 10.246 -0.268 1.00 0.00 H new HETATM 1138 N M2L A 370 -15.168 12.033 -0.919 1.00 0.00 N HETATM 1139 CA M2L A 370 -16.565 12.387 -1.162 1.00 0.00 C HETATM 1140 CB M2L A 370 -17.215 11.371 -2.122 1.00 0.00 C HETATM 1141 SG M2L A 370 -16.239 10.907 -3.216 1.00 0.00 S HETATM 1142 CD M2L A 370 -16.686 9.625 -3.935 1.00 0.00 C HETATM 1143 CE M2L A 370 -17.790 9.878 -4.971 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.365 10.871 -6.008 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -17.795 12.278 -5.744 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -17.699 10.463 -7.409 1.00 0.00 C HETATM 1147 C M2L A 370 -17.345 12.402 0.161 1.00 0.00 C HETATM 1148 O M2L A 370 -16.961 11.732 1.121 1.00 0.00 O HETATM 0 HM2B M2L A 370 -17.203 9.521 -7.642 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -18.778 10.338 -7.504 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -18.883 12.323 -5.695 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -17.375 12.615 -4.797 1.00 0.00 H new HETATM 0 HN M2L A 370 -14.765 11.210 -1.366 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -17.360 11.232 -8.103 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -17.441 12.923 -6.548 1.00 0.00 H new HETATM 0 HEA M2L A 370 -18.056 8.938 -5.455 1.00 0.00 H new HETATM 0 HE M2L A 370 -18.685 10.241 -4.466 1.00 0.00 H new HETATM 0 HDA M2L A 370 -15.826 9.173 -4.430 1.00 0.00 H new HETATM 0 HD M2L A 370 -17.044 8.906 -3.198 1.00 0.00 H new HETATM 0 HBA M2L A 370 -17.562 10.507 -1.555 1.00 0.00 H new HETATM 0 HB M2L A 370 -18.093 11.821 -2.586 1.00 0.00 H new HETATM 0 HA M2L A 370 -16.594 13.379 -1.613 1.00 0.00 H new ATOM 1164 N SER A 371 -18.479 13.113 0.181 1.00 0.00 N ATOM 1165 CA SER A 371 -19.375 13.207 1.341 1.00 0.00 C ATOM 1166 C SER A 371 -20.089 11.879 1.667 1.00 0.00 C ATOM 1167 O SER A 371 -20.633 11.723 2.763 1.00 0.00 O ATOM 1168 CB SER A 371 -20.414 14.312 1.077 1.00 0.00 C ATOM 1169 OG SER A 371 -19.787 15.505 0.606 1.00 0.00 O ATOM 0 H SER A 371 -18.806 13.649 -0.623 1.00 0.00 H new ATOM 0 HA SER A 371 -18.763 13.447 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 371 -21.140 13.965 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 371 -20.965 14.524 1.993 1.00 0.00 H new ATOM 0 HG SER A 371 -20.468 16.191 0.444 1.00 0.00 H new ATOM 1175 N LYS A 372 -20.081 10.920 0.730 1.00 0.00 N ATOM 1176 CA LYS A 372 -20.777 9.631 0.834 1.00 0.00 C ATOM 1177 C LYS A 372 -19.898 8.470 0.351 1.00 0.00 C ATOM 1178 O LYS A 372 -20.415 7.467 -0.141 1.00 0.00 O ATOM 1179 CB LYS A 372 -22.140 9.727 0.111 1.00 0.00 C ATOM 1180 CG LYS A 372 -22.050 10.046 -1.397 1.00 0.00 C ATOM 1181 CD LYS A 372 -23.415 9.992 -2.101 1.00 0.00 C ATOM 1182 CE LYS A 372 -24.395 11.058 -1.586 1.00 0.00 C ATOM 1183 NZ LYS A 372 -25.693 11.030 -2.312 1.00 0.00 N ATOM 0 H LYS A 372 -19.574 11.024 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 372 -20.980 9.406 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -22.670 8.783 0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -22.740 10.497 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -21.618 11.038 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -21.373 9.337 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -23.271 10.126 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -23.853 9.004 -1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -24.573 10.901 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -23.944 12.044 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -26.320 11.766 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -25.529 11.206 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -26.139 10.098 -2.191 1.00 0.00 H new ATOM 1197 N LYS A 373 -18.565 8.620 0.434 1.00 0.00 N ATOM 1198 CA LYS A 373 -17.621 7.623 -0.085 1.00 0.00 C ATOM 1199 C LYS A 373 -17.858 6.255 0.567 1.00 0.00 C ATOM 1200 O LYS A 373 -17.905 5.247 -0.144 1.00 0.00 O ATOM 1201 CB LYS A 373 -16.168 8.116 0.108 1.00 0.00 C ATOM 1202 CG LYS A 373 -15.081 7.039 -0.092 1.00 0.00 C ATOM 1203 CD LYS A 373 -15.073 6.365 -1.477 1.00 0.00 C ATOM 1204 CE LYS A 373 -14.378 4.992 -1.451 1.00 0.00 C ATOM 1205 NZ LYS A 373 -15.194 3.946 -0.771 1.00 0.00 N ATOM 0 H LYS A 373 -18.117 9.431 0.860 1.00 0.00 H new ATOM 0 HA LYS A 373 -17.789 7.497 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -15.982 8.932 -0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -16.070 8.527 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -14.105 7.494 0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -15.211 6.269 0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -16.098 6.245 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -14.566 7.013 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -14.169 4.676 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -13.418 5.085 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -14.718 3.025 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -15.301 4.189 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -16.132 3.894 -1.217 1.00 0.00 H new ATOM 1219 N GLY A 374 -18.015 6.223 1.894 1.00 0.00 N ATOM 1220 CA GLY A 374 -18.027 4.980 2.654 1.00 0.00 C ATOM 1221 C GLY A 374 -16.578 4.554 2.856 1.00 0.00 C ATOM 1222 O GLY A 374 -16.027 4.857 3.938 1.00 0.00 O ATOM 1223 OXT GLY A 374 -15.978 3.982 1.918 1.00 0.00 O ATOM 0 H GLY A 374 -18.137 7.059 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -18.522 5.122 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -18.583 4.209 2.120 1.00 0.00 H new TER 1227 GLY A 374