USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 711 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 3 GLN : amide:sc= 0 X(o=1.6,f=1.5) USER MOD Set 1.2: A 66 TYR OH : rot -39:sc= 1.58 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= -0.272 (180deg=-1.26!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.113) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.01) USER MOD Single : A 14 HIS : no HD1:sc= -4.96! C(o=-5!,f=-5!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= -3.31! (180deg=-5.98!) USER MOD Single : A 18 THR OG1 : rot 155:sc= 1.02 USER MOD Single : A 22 HIS : no HE2:sc= 0.0438 K(o=0.044,f=-4.8!) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= -0.0879 (180deg=-0.937) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0838) USER MOD Single : A 30 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.26) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0208 (180deg=-0.427) USER MOD Single : A 36 ASN : amide:sc= -3.44! C(o=-3.4!,f=-3.2!) USER MOD Single : A 37 ASN : amide:sc= -0.88 K(o=-0.88,f=-5.6!) USER MOD Single : A 45 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.56) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.167 F(o=-0.94,f=-0.17) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -2.87 F(o=-9!,f=-2.9) USER MOD Single : A 55 ASN :FLIP amide:sc= 0.404 F(o=-4!,f=0.4) USER MOD Single : A 56 SER OG : rot 7:sc= 0.339 USER MOD Single : A 60 HIS : no HD1:sc= -0.454 K(o=-0.45,f=-2) USER MOD Single : A 64 SER OG : rot 86:sc= 0.761 USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.241) USER MOD Single : A 71 SER OG : rot 17:sc= 0.713 USER MOD Single : A 73 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.2!) USER MOD Single : A 76 ASN : amide:sc= -4.45! C(o=-4.4!,f=-8.6!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.317 F(o=-2,f=-0.32) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -11.017 12.677 -5.979 1.00 0.00 N ATOM 19 CA GLU A 2 -11.485 11.366 -5.540 1.00 0.00 C ATOM 20 C GLU A 2 -10.371 10.333 -5.653 1.00 0.00 C ATOM 21 O GLU A 2 -10.431 9.271 -5.035 1.00 0.00 O ATOM 22 CB GLU A 2 -12.675 10.921 -6.394 1.00 0.00 C ATOM 23 CG GLU A 2 -13.681 12.067 -6.518 1.00 0.00 C ATOM 24 CD GLU A 2 -14.421 12.257 -5.199 1.00 0.00 C ATOM 25 OE1 GLU A 2 -14.598 11.277 -4.495 1.00 0.00 O ATOM 26 OE2 GLU A 2 -14.800 13.381 -4.911 1.00 0.00 O ATOM 0 HA GLU A 2 -11.792 11.445 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.331 10.618 -7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.154 10.052 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.164 12.987 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.392 11.853 -7.316 1.00 0.00 H new ATOM 33 N GLN A 3 -9.360 10.651 -6.452 1.00 0.00 N ATOM 34 CA GLN A 3 -8.235 9.745 -6.654 1.00 0.00 C ATOM 35 C GLN A 3 -7.788 9.131 -5.339 1.00 0.00 C ATOM 36 O GLN A 3 -8.134 7.992 -5.027 1.00 0.00 O ATOM 37 CB GLN A 3 -7.066 10.502 -7.288 1.00 0.00 C ATOM 38 CG GLN A 3 -5.961 9.516 -7.669 1.00 0.00 C ATOM 39 CD GLN A 3 -4.929 10.206 -8.554 1.00 0.00 C ATOM 40 OE1 GLN A 3 -4.049 10.905 -8.053 1.00 0.00 O ATOM 41 NE2 GLN A 3 -4.983 10.050 -9.848 1.00 0.00 N ATOM 0 H GLN A 3 -9.295 11.527 -6.970 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.558 8.944 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.406 11.042 -8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.680 11.245 -6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.481 9.130 -6.770 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.389 8.662 -8.194 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.713 9.470 -10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.295 10.508 -10.446 1.00 0.00 H new ATOM 50 N PHE A 4 -7.023 9.887 -4.563 1.00 0.00 N ATOM 51 CA PHE A 4 -6.554 9.383 -3.279 1.00 0.00 C ATOM 52 C PHE A 4 -7.728 8.771 -2.526 1.00 0.00 C ATOM 53 O PHE A 4 -7.615 7.677 -1.974 1.00 0.00 O ATOM 54 CB PHE A 4 -5.896 10.501 -2.453 1.00 0.00 C ATOM 55 CG PHE A 4 -6.256 11.847 -3.037 1.00 0.00 C ATOM 56 CD1 PHE A 4 -7.320 12.582 -2.500 1.00 0.00 C ATOM 57 CD2 PHE A 4 -5.523 12.362 -4.113 1.00 0.00 C ATOM 58 CE1 PHE A 4 -7.650 13.831 -3.040 1.00 0.00 C ATOM 59 CE2 PHE A 4 -5.852 13.610 -4.653 1.00 0.00 C ATOM 60 CZ PHE A 4 -6.917 14.346 -4.116 1.00 0.00 C ATOM 0 H PHE A 4 -6.719 10.833 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.796 8.618 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.228 10.443 -1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.813 10.374 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.886 12.186 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.702 11.795 -4.527 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.471 14.398 -2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.286 14.006 -5.483 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.172 15.310 -4.532 1.00 0.00 H new ATOM 70 N ASN A 5 -8.860 9.457 -2.526 1.00 0.00 N ATOM 71 CA ASN A 5 -10.037 8.927 -1.858 1.00 0.00 C ATOM 72 C ASN A 5 -10.341 7.533 -2.407 1.00 0.00 C ATOM 73 O ASN A 5 -10.903 6.688 -1.713 1.00 0.00 O ATOM 74 CB ASN A 5 -11.238 9.852 -2.081 1.00 0.00 C ATOM 75 CG ASN A 5 -12.275 9.639 -0.983 1.00 0.00 C ATOM 76 OD1 ASN A 5 -12.978 8.629 -0.978 1.00 0.00 O ATOM 77 ND2 ASN A 5 -12.412 10.537 -0.044 1.00 0.00 N ATOM 0 H ASN A 5 -8.988 10.365 -2.972 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.845 8.864 -0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.910 10.892 -2.086 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.683 9.654 -3.056 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.102 10.401 0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.829 11.374 -0.049 1.00 0.00 H new ATOM 84 N ALA A 6 -9.960 7.311 -3.666 1.00 0.00 N ATOM 85 CA ALA A 6 -10.191 6.023 -4.314 1.00 0.00 C ATOM 86 C ALA A 6 -9.187 4.979 -3.824 1.00 0.00 C ATOM 87 O ALA A 6 -9.571 3.930 -3.303 1.00 0.00 O ATOM 88 CB ALA A 6 -10.074 6.180 -5.831 1.00 0.00 C ATOM 0 H ALA A 6 -9.493 8.003 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.194 5.683 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.247 5.217 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.816 6.898 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.076 6.537 -6.084 1.00 0.00 H new ATOM 94 N PHE A 7 -7.898 5.273 -3.985 1.00 0.00 N ATOM 95 CA PHE A 7 -6.854 4.351 -3.546 1.00 0.00 C ATOM 96 C PHE A 7 -6.918 4.177 -2.031 1.00 0.00 C ATOM 97 O PHE A 7 -7.044 3.061 -1.527 1.00 0.00 O ATOM 98 CB PHE A 7 -5.475 4.885 -3.959 1.00 0.00 C ATOM 99 CG PHE A 7 -4.409 4.332 -3.039 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.964 3.014 -3.195 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.870 5.138 -2.028 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.980 2.502 -2.341 1.00 0.00 C ATOM 103 CE2 PHE A 7 -2.885 4.626 -1.174 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.440 3.308 -1.331 1.00 0.00 C ATOM 0 H PHE A 7 -7.555 6.133 -4.412 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.012 3.382 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.260 4.602 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.471 5.974 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.380 2.392 -3.974 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.214 6.155 -1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.637 1.485 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.469 5.248 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.680 2.913 -0.673 1.00 0.00 H new ATOM 114 N LYS A 8 -6.841 5.291 -1.318 1.00 0.00 N ATOM 115 CA LYS A 8 -6.904 5.271 0.137 1.00 0.00 C ATOM 116 C LYS A 8 -8.075 4.425 0.613 1.00 0.00 C ATOM 117 O LYS A 8 -7.913 3.501 1.415 1.00 0.00 O ATOM 118 CB LYS A 8 -7.066 6.703 0.658 1.00 0.00 C ATOM 119 CG LYS A 8 -6.566 6.783 2.108 1.00 0.00 C ATOM 120 CD LYS A 8 -6.415 8.251 2.527 1.00 0.00 C ATOM 121 CE LYS A 8 -7.784 8.824 2.905 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.350 8.049 4.045 1.00 0.00 N ATOM 0 H LYS A 8 -6.735 6.221 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.981 4.836 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.504 7.395 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.113 7.003 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.266 6.276 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.609 6.269 2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.731 8.329 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.981 8.829 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.687 9.875 3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.458 8.778 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.957 8.669 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.913 7.255 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.575 7.682 4.634 1.00 0.00 H new ATOM 136 N SER A 9 -9.266 4.751 0.124 1.00 0.00 N ATOM 137 CA SER A 9 -10.447 4.008 0.531 1.00 0.00 C ATOM 138 C SER A 9 -10.235 2.527 0.256 1.00 0.00 C ATOM 139 O SER A 9 -10.787 1.672 0.947 1.00 0.00 O ATOM 140 CB SER A 9 -11.688 4.513 -0.203 1.00 0.00 C ATOM 141 OG SER A 9 -12.802 3.703 0.149 1.00 0.00 O ATOM 0 H SER A 9 -9.436 5.507 -0.539 1.00 0.00 H new ATOM 0 HA SER A 9 -10.605 4.158 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.882 5.553 0.059 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.526 4.481 -1.280 1.00 0.00 H new ATOM 0 HG SER A 9 -13.601 4.024 -0.319 1.00 0.00 H new ATOM 147 N LEU A 10 -9.411 2.229 -0.747 1.00 0.00 N ATOM 148 CA LEU A 10 -9.114 0.846 -1.084 1.00 0.00 C ATOM 149 C LEU A 10 -8.407 0.180 0.092 1.00 0.00 C ATOM 150 O LEU A 10 -8.673 -0.977 0.419 1.00 0.00 O ATOM 151 CB LEU A 10 -8.215 0.787 -2.330 1.00 0.00 C ATOM 152 CG LEU A 10 -8.507 -0.481 -3.149 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.435 -0.654 -4.235 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.498 -1.709 -2.231 1.00 0.00 C ATOM 0 H LEU A 10 -8.944 2.921 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.045 0.321 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.380 1.671 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.167 0.799 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.488 -0.384 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.645 -1.554 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.443 0.213 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.455 -0.744 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.706 -2.604 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.520 -1.803 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.262 -1.594 -1.462 1.00 0.00 H new ATOM 166 N LEU A 11 -7.506 0.927 0.732 1.00 0.00 N ATOM 167 CA LEU A 11 -6.771 0.397 1.875 1.00 0.00 C ATOM 168 C LEU A 11 -7.740 0.001 2.982 1.00 0.00 C ATOM 169 O LEU A 11 -7.703 -1.126 3.458 1.00 0.00 O ATOM 170 CB LEU A 11 -5.769 1.431 2.407 1.00 0.00 C ATOM 171 CG LEU A 11 -4.482 1.403 1.571 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.817 2.787 1.605 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.520 0.359 2.149 1.00 0.00 C ATOM 0 H LEU A 11 -7.272 1.887 0.481 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.219 -0.484 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.211 2.427 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.538 1.220 3.451 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.724 1.143 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.903 2.766 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.501 3.529 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.575 3.049 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.606 0.339 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.278 0.618 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.991 -0.624 2.123 1.00 0.00 H new ATOM 185 N LYS A 12 -8.608 0.923 3.390 1.00 0.00 N ATOM 186 CA LYS A 12 -9.574 0.612 4.448 1.00 0.00 C ATOM 187 C LYS A 12 -10.015 -0.852 4.345 1.00 0.00 C ATOM 188 O LYS A 12 -9.835 -1.632 5.280 1.00 0.00 O ATOM 189 CB LYS A 12 -10.792 1.543 4.341 1.00 0.00 C ATOM 190 CG LYS A 12 -11.110 2.146 5.714 1.00 0.00 C ATOM 191 CD LYS A 12 -12.366 3.015 5.616 1.00 0.00 C ATOM 192 CE LYS A 12 -12.416 3.983 6.801 1.00 0.00 C ATOM 193 NZ LYS A 12 -11.474 5.112 6.559 1.00 0.00 N ATOM 0 H LYS A 12 -8.666 1.871 3.017 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.099 0.767 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.591 2.338 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.653 0.988 3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.262 1.352 6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.268 2.744 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.363 3.572 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.256 2.386 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.429 4.362 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.149 3.463 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.987 5.354 7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.772 4.832 5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.004 5.939 6.218 1.00 0.00 H new ATOM 207 N LYS A 13 -10.558 -1.221 3.188 1.00 0.00 N ATOM 208 CA LYS A 13 -10.983 -2.599 2.952 1.00 0.00 C ATOM 209 C LYS A 13 -9.815 -3.546 3.215 1.00 0.00 C ATOM 210 O LYS A 13 -9.972 -4.591 3.847 1.00 0.00 O ATOM 211 CB LYS A 13 -11.455 -2.748 1.497 1.00 0.00 C ATOM 212 CG LYS A 13 -12.741 -3.583 1.448 1.00 0.00 C ATOM 213 CD LYS A 13 -13.939 -2.718 1.865 1.00 0.00 C ATOM 214 CE LYS A 13 -14.970 -3.580 2.599 1.00 0.00 C ATOM 215 NZ LYS A 13 -14.530 -3.787 4.008 1.00 0.00 N ATOM 0 H LYS A 13 -10.714 -0.589 2.402 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.804 -2.847 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.633 -1.765 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.678 -3.226 0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.895 -3.972 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.653 -4.443 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.605 -1.905 2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.393 -2.261 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.946 -3.095 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.081 -4.541 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.282 -4.270 4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.669 -4.370 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.331 -2.866 4.449 1.00 0.00 H new ATOM 229 N HIS A 14 -8.644 -3.154 2.733 1.00 0.00 N ATOM 230 CA HIS A 14 -7.429 -3.941 2.914 1.00 0.00 C ATOM 231 C HIS A 14 -7.116 -4.130 4.393 1.00 0.00 C ATOM 232 O HIS A 14 -7.006 -5.254 4.884 1.00 0.00 O ATOM 233 CB HIS A 14 -6.254 -3.210 2.256 1.00 0.00 C ATOM 234 CG HIS A 14 -5.108 -4.166 2.055 1.00 0.00 C ATOM 235 ND1 HIS A 14 -5.260 -5.539 2.169 1.00 0.00 N ATOM 236 CD2 HIS A 14 -3.785 -3.959 1.747 1.00 0.00 C ATOM 237 CE1 HIS A 14 -4.060 -6.101 1.932 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.126 -5.182 1.670 1.00 0.00 N ATOM 0 H HIS A 14 -8.508 -2.289 2.210 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.582 -4.919 2.457 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.564 -2.792 1.298 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.938 -2.375 2.880 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.327 -2.994 1.589 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.875 -7.165 1.951 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.141 -5.343 1.459 1.00 0.00 H new ATOM 247 N TYR A 15 -6.950 -3.010 5.088 1.00 0.00 N ATOM 248 CA TYR A 15 -6.621 -3.024 6.505 1.00 0.00 C ATOM 249 C TYR A 15 -7.882 -2.966 7.362 1.00 0.00 C ATOM 250 O TYR A 15 -7.858 -2.440 8.475 1.00 0.00 O ATOM 251 CB TYR A 15 -5.721 -1.821 6.820 1.00 0.00 C ATOM 252 CG TYR A 15 -4.273 -2.191 6.578 1.00 0.00 C ATOM 253 CD1 TYR A 15 -3.294 -1.834 7.514 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.912 -2.896 5.423 1.00 0.00 C ATOM 255 CE1 TYR A 15 -1.956 -2.182 7.293 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.575 -3.242 5.203 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.596 -2.886 6.138 1.00 0.00 C ATOM 258 OH TYR A 15 -0.277 -3.229 5.922 1.00 0.00 O ATOM 0 H TYR A 15 -7.039 -2.076 4.688 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.100 -3.953 6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.999 -0.973 6.195 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.859 -1.512 7.856 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.571 -1.291 8.405 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.667 -3.173 4.702 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.201 -1.907 8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.298 -3.784 4.311 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.200 -3.715 5.075 1.00 0.00 H new ATOM 268 N GLU A 16 -8.978 -3.516 6.853 1.00 0.00 N ATOM 269 CA GLU A 16 -10.224 -3.517 7.608 1.00 0.00 C ATOM 270 C GLU A 16 -10.016 -4.215 8.948 1.00 0.00 C ATOM 271 O GLU A 16 -10.574 -3.808 9.967 1.00 0.00 O ATOM 272 CB GLU A 16 -11.317 -4.237 6.812 1.00 0.00 C ATOM 273 CG GLU A 16 -12.693 -3.883 7.383 1.00 0.00 C ATOM 274 CD GLU A 16 -12.860 -4.501 8.767 1.00 0.00 C ATOM 275 OE1 GLU A 16 -13.090 -3.754 9.703 1.00 0.00 O ATOM 276 OE2 GLU A 16 -12.757 -5.712 8.870 1.00 0.00 O ATOM 0 H GLU A 16 -9.030 -3.960 5.936 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.533 -2.487 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.264 -3.950 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.161 -5.315 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.803 -2.800 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.476 -4.246 6.717 1.00 0.00 H new ATOM 283 N LYS A 17 -9.199 -5.265 8.936 1.00 0.00 N ATOM 284 CA LYS A 17 -8.908 -6.013 10.153 1.00 0.00 C ATOM 285 C LYS A 17 -7.831 -5.300 10.964 1.00 0.00 C ATOM 286 O LYS A 17 -7.938 -5.174 12.184 1.00 0.00 O ATOM 287 CB LYS A 17 -8.436 -7.425 9.799 1.00 0.00 C ATOM 288 CG LYS A 17 -9.627 -8.257 9.315 1.00 0.00 C ATOM 289 CD LYS A 17 -9.121 -9.490 8.560 1.00 0.00 C ATOM 290 CE LYS A 17 -8.145 -10.270 9.443 1.00 0.00 C ATOM 291 NZ LYS A 17 -6.805 -9.620 9.394 1.00 0.00 N ATOM 0 H LYS A 17 -8.729 -5.615 8.101 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.818 -6.078 10.750 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.671 -7.380 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.980 -7.896 10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.238 -8.564 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.263 -7.656 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.960 -10.126 8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.628 -9.186 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.510 -10.299 10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.073 -11.302 9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.074 -10.343 9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.781 -8.932 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.623 -9.131 10.294 1.00 0.00 H new ATOM 305 N THR A 18 -6.796 -4.830 10.274 1.00 0.00 N ATOM 306 CA THR A 18 -5.706 -4.122 10.936 1.00 0.00 C ATOM 307 C THR A 18 -6.121 -2.687 11.246 1.00 0.00 C ATOM 308 O THR A 18 -5.297 -1.774 11.235 1.00 0.00 O ATOM 309 CB THR A 18 -4.460 -4.120 10.040 1.00 0.00 C ATOM 310 OG1 THR A 18 -4.856 -4.004 8.682 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.681 -5.423 10.236 1.00 0.00 C ATOM 0 H THR A 18 -6.689 -4.926 9.264 1.00 0.00 H new ATOM 0 HA THR A 18 -5.474 -4.633 11.870 1.00 0.00 H new ATOM 0 HB THR A 18 -3.823 -3.277 10.308 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.125 -3.612 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.797 -5.418 9.598 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.376 -5.511 11.279 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.315 -6.269 9.971 1.00 0.00 H new ATOM 319 N ILE A 19 -7.407 -2.494 11.522 1.00 0.00 N ATOM 320 CA ILE A 19 -7.916 -1.163 11.833 1.00 0.00 C ATOM 321 C ILE A 19 -6.974 -0.444 12.795 1.00 0.00 C ATOM 322 O ILE A 19 -6.168 0.381 12.371 1.00 0.00 O ATOM 323 CB ILE A 19 -9.325 -1.256 12.435 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.740 0.120 12.972 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.353 -2.287 13.578 1.00 0.00 C ATOM 326 CD1 ILE A 19 -11.253 0.148 13.196 1.00 0.00 C ATOM 0 H ILE A 19 -8.109 -3.234 11.537 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.971 -0.589 10.908 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.022 -1.575 11.660 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.220 0.329 13.907 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.452 0.899 12.266 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.359 -2.341 13.994 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.067 -3.265 13.192 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.653 -1.985 14.357 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.546 1.126 13.577 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.764 -0.042 12.252 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.528 -0.621 13.918 1.00 0.00 H new ATOM 338 N GLY A 20 -7.085 -0.752 14.088 1.00 0.00 N ATOM 339 CA GLY A 20 -6.238 -0.120 15.099 1.00 0.00 C ATOM 340 C GLY A 20 -4.915 0.342 14.502 1.00 0.00 C ATOM 341 O GLY A 20 -4.606 1.533 14.499 1.00 0.00 O ATOM 0 H GLY A 20 -7.750 -1.432 14.458 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.761 0.732 15.533 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.048 -0.824 15.909 1.00 0.00 H new ATOM 345 N PHE A 21 -4.139 -0.608 13.990 1.00 0.00 N ATOM 346 CA PHE A 21 -2.853 -0.280 13.386 1.00 0.00 C ATOM 347 C PHE A 21 -2.999 0.933 12.472 1.00 0.00 C ATOM 348 O PHE A 21 -2.200 1.867 12.530 1.00 0.00 O ATOM 349 CB PHE A 21 -2.328 -1.469 12.579 1.00 0.00 C ATOM 350 CG PHE A 21 -1.010 -1.095 11.945 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.942 -0.838 10.570 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.144 -1.008 12.730 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.282 -0.493 9.981 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.366 -0.663 12.143 1.00 0.00 C ATOM 355 CZ PHE A 21 1.436 -0.406 10.769 1.00 0.00 C ATOM 0 H PHE A 21 -4.375 -1.600 13.981 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.145 -0.049 14.181 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.200 -2.336 13.227 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.049 -1.749 11.810 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.833 -0.906 9.963 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.092 -1.207 13.790 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.335 -0.295 8.921 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.256 -0.595 12.751 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.380 -0.141 10.317 1.00 0.00 H new ATOM 365 N HIS A 22 -4.032 0.909 11.635 1.00 0.00 N ATOM 366 CA HIS A 22 -4.286 2.013 10.716 1.00 0.00 C ATOM 367 C HIS A 22 -4.718 3.258 11.484 1.00 0.00 C ATOM 368 O HIS A 22 -4.524 4.378 11.016 1.00 0.00 O ATOM 369 CB HIS A 22 -5.372 1.627 9.708 1.00 0.00 C ATOM 370 CG HIS A 22 -5.285 2.530 8.508 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.322 3.912 8.621 1.00 0.00 N ATOM 372 CD2 HIS A 22 -5.162 2.267 7.166 1.00 0.00 C ATOM 373 CE1 HIS A 22 -5.222 4.423 7.381 1.00 0.00 C ATOM 374 NE2 HIS A 22 -5.122 3.465 6.457 1.00 0.00 N ATOM 0 H HIS A 22 -4.702 0.143 11.574 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.362 2.230 10.180 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.248 0.588 9.404 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.357 1.710 10.168 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -5.409 4.444 9.487 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.105 1.282 6.727 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.223 5.480 7.160 1.00 0.00 H new ATOM 383 N ASP A 23 -5.290 3.058 12.666 1.00 0.00 N ATOM 384 CA ASP A 23 -5.724 4.181 13.492 1.00 0.00 C ATOM 385 C ASP A 23 -4.594 4.605 14.424 1.00 0.00 C ATOM 386 O ASP A 23 -4.641 5.669 15.041 1.00 0.00 O ATOM 387 CB ASP A 23 -6.947 3.779 14.320 1.00 0.00 C ATOM 388 CG ASP A 23 -7.613 5.020 14.902 1.00 0.00 C ATOM 389 OD1 ASP A 23 -8.738 5.299 14.522 1.00 0.00 O ATOM 390 OD2 ASP A 23 -6.988 5.675 15.720 1.00 0.00 O ATOM 0 H ASP A 23 -5.463 2.138 13.072 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.989 5.016 12.843 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.656 3.235 13.696 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.647 3.106 15.124 1.00 0.00 H new ATOM 395 N LYS A 24 -3.588 3.744 14.526 1.00 0.00 N ATOM 396 CA LYS A 24 -2.440 3.992 15.392 1.00 0.00 C ATOM 397 C LYS A 24 -1.323 4.749 14.671 1.00 0.00 C ATOM 398 O LYS A 24 -0.812 5.729 15.216 1.00 0.00 O ATOM 399 CB LYS A 24 -1.902 2.655 15.932 1.00 0.00 C ATOM 400 CG LYS A 24 -2.061 2.596 17.458 1.00 0.00 C ATOM 401 CD LYS A 24 -0.968 3.439 18.121 1.00 0.00 C ATOM 402 CE LYS A 24 -1.100 3.340 19.643 1.00 0.00 C ATOM 403 NZ LYS A 24 -2.507 3.627 20.040 1.00 0.00 N ATOM 0 H LYS A 24 -3.544 2.862 14.016 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.778 4.620 16.216 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.439 1.826 15.471 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.851 2.543 15.664 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.045 2.966 17.746 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.996 1.563 17.801 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.016 3.090 17.807 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.053 4.479 17.805 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.812 2.344 19.980 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.424 4.047 20.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.520 4.054 20.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.933 4.286 19.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.052 2.741 20.052 1.00 0.00 H new ATOM 417 N TYR A 25 -0.916 4.313 13.477 1.00 0.00 N ATOM 418 CA TYR A 25 0.174 5.015 12.789 1.00 0.00 C ATOM 419 C TYR A 25 -0.270 5.611 11.455 1.00 0.00 C ATOM 420 O TYR A 25 -0.445 6.823 11.338 1.00 0.00 O ATOM 421 CB TYR A 25 1.351 4.066 12.563 1.00 0.00 C ATOM 422 CG TYR A 25 1.860 3.569 13.895 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.715 2.219 14.242 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.479 4.457 14.781 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.192 1.760 15.476 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.955 3.998 16.015 1.00 0.00 C ATOM 427 CZ TYR A 25 2.812 2.650 16.362 1.00 0.00 C ATOM 428 OH TYR A 25 3.281 2.196 17.578 1.00 0.00 O ATOM 0 H TYR A 25 -1.304 3.511 12.981 1.00 0.00 H new ATOM 0 HA TYR A 25 0.481 5.840 13.432 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.040 3.225 11.944 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.148 4.580 12.026 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.236 1.534 13.559 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.590 5.497 14.513 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.082 0.720 15.744 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.432 4.684 16.699 1.00 0.00 H new ATOM 0 HH TYR A 25 3.684 2.940 18.072 1.00 0.00 H new ATOM 438 N ILE A 26 -0.426 4.757 10.448 1.00 0.00 N ATOM 439 CA ILE A 26 -0.822 5.216 9.120 1.00 0.00 C ATOM 440 C ILE A 26 -1.881 6.314 9.204 1.00 0.00 C ATOM 441 O ILE A 26 -2.081 7.066 8.249 1.00 0.00 O ATOM 442 CB ILE A 26 -1.355 4.042 8.298 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.235 3.018 8.101 1.00 0.00 C ATOM 444 CG2 ILE A 26 -1.831 4.544 6.933 1.00 0.00 C ATOM 445 CD1 ILE A 26 -0.808 1.738 7.488 1.00 0.00 C ATOM 0 H ILE A 26 -0.285 3.750 10.525 1.00 0.00 H new ATOM 0 HA ILE A 26 0.059 5.632 8.631 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.191 3.579 8.823 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.537 3.430 7.451 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.239 2.794 9.057 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.210 3.705 6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.625 5.278 7.072 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.997 5.007 6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.008 1.011 7.349 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.564 1.322 8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.261 1.968 6.524 1.00 0.00 H new ATOM 457 N LYS A 27 -2.550 6.409 10.347 1.00 0.00 N ATOM 458 CA LYS A 27 -3.577 7.430 10.532 1.00 0.00 C ATOM 459 C LYS A 27 -2.957 8.824 10.460 1.00 0.00 C ATOM 460 O LYS A 27 -3.602 9.778 10.023 1.00 0.00 O ATOM 461 CB LYS A 27 -4.270 7.242 11.891 1.00 0.00 C ATOM 462 CG LYS A 27 -5.777 7.488 11.750 1.00 0.00 C ATOM 463 CD LYS A 27 -6.025 8.931 11.301 1.00 0.00 C ATOM 464 CE LYS A 27 -7.486 9.307 11.563 1.00 0.00 C ATOM 465 NZ LYS A 27 -8.375 8.477 10.702 1.00 0.00 N ATOM 0 H LYS A 27 -2.403 5.800 11.152 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.315 7.328 9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.091 6.233 12.263 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.848 7.931 12.622 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.202 6.793 11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.276 7.302 12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.362 9.609 11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.796 9.037 10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.730 9.150 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.644 10.365 11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.353 8.822 10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.060 8.543 9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.333 7.486 11.013 1.00 0.00 H new ATOM 479 N ASP A 28 -1.704 8.935 10.891 1.00 0.00 N ATOM 480 CA ASP A 28 -1.008 10.218 10.874 1.00 0.00 C ATOM 481 C ASP A 28 -0.242 10.400 9.568 1.00 0.00 C ATOM 482 O ASP A 28 0.973 10.601 9.572 1.00 0.00 O ATOM 483 CB ASP A 28 -0.033 10.297 12.050 1.00 0.00 C ATOM 484 CG ASP A 28 0.455 11.730 12.225 1.00 0.00 C ATOM 485 OD1 ASP A 28 1.646 11.910 12.419 1.00 0.00 O ATOM 486 OD2 ASP A 28 -0.369 12.628 12.164 1.00 0.00 O ATOM 0 H ASP A 28 -1.152 8.158 11.254 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.751 11.011 10.959 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.522 9.956 12.963 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.814 9.634 11.876 1.00 0.00 H new ATOM 491 N ILE A 29 -0.961 10.328 8.449 1.00 0.00 N ATOM 492 CA ILE A 29 -0.341 10.488 7.136 1.00 0.00 C ATOM 493 C ILE A 29 -1.094 11.529 6.314 1.00 0.00 C ATOM 494 O ILE A 29 -2.316 11.636 6.400 1.00 0.00 O ATOM 495 CB ILE A 29 -0.345 9.152 6.387 1.00 0.00 C ATOM 496 CG1 ILE A 29 0.454 8.105 7.179 1.00 0.00 C ATOM 497 CG2 ILE A 29 0.275 9.341 5.000 1.00 0.00 C ATOM 498 CD1 ILE A 29 1.950 8.234 6.877 1.00 0.00 C ATOM 0 H ILE A 29 -1.967 10.161 8.425 1.00 0.00 H new ATOM 0 HA ILE A 29 0.687 10.822 7.280 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.372 8.804 6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.279 8.237 8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.109 7.104 6.921 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.272 8.390 4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.306 10.073 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.301 9.695 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.502 7.486 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.121 8.079 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.293 9.229 7.158 1.00 0.00 H new ATOM 510 N ASN A 30 -0.353 12.292 5.517 1.00 0.00 N ATOM 511 CA ASN A 30 -0.961 13.322 4.681 1.00 0.00 C ATOM 512 C ASN A 30 0.009 13.771 3.593 1.00 0.00 C ATOM 513 O ASN A 30 -0.126 14.863 3.041 1.00 0.00 O ATOM 514 CB ASN A 30 -1.361 14.524 5.538 1.00 0.00 C ATOM 515 CG ASN A 30 -0.116 15.198 6.107 1.00 0.00 C ATOM 516 OD1 ASN A 30 0.517 16.008 5.429 1.00 0.00 O ATOM 517 ND2 ASN A 30 0.274 14.911 7.317 1.00 0.00 N ATOM 0 H ASN A 30 0.661 12.218 5.432 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.849 12.902 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.928 15.236 4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.013 14.201 6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.105 15.358 7.704 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.252 14.240 7.877 1.00 0.00 H new ATOM 524 N ARG A 31 0.991 12.924 3.288 1.00 0.00 N ATOM 525 CA ARG A 31 1.978 13.250 2.263 1.00 0.00 C ATOM 526 C ARG A 31 2.329 12.014 1.439 1.00 0.00 C ATOM 527 O ARG A 31 2.788 11.003 1.973 1.00 0.00 O ATOM 528 CB ARG A 31 3.242 13.810 2.919 1.00 0.00 C ATOM 529 CG ARG A 31 4.233 14.273 1.843 1.00 0.00 C ATOM 530 CD ARG A 31 3.625 15.417 1.022 1.00 0.00 C ATOM 531 NE ARG A 31 2.732 16.222 1.849 1.00 0.00 N ATOM 532 CZ ARG A 31 1.754 16.941 1.306 1.00 0.00 C ATOM 533 NH1 ARG A 31 1.578 16.933 0.014 1.00 0.00 N ATOM 534 NH2 ARG A 31 0.970 17.655 2.067 1.00 0.00 N ATOM 0 H ARG A 31 1.123 12.015 3.732 1.00 0.00 H new ATOM 0 HA ARG A 31 1.551 14.001 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.984 14.645 3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.704 13.048 3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.161 14.604 2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.486 13.439 1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.419 16.044 0.618 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.076 15.011 0.173 1.00 0.00 H new ATOM 0 HE ARG A 31 2.860 16.233 2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.191 16.375 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.828 17.485 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.108 17.661 3.078 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.220 18.207 1.651 1.00 0.00 H new ATOM 548 N PHE A 32 2.105 12.110 0.134 1.00 0.00 N ATOM 549 CA PHE A 32 2.391 11.010 -0.781 1.00 0.00 C ATOM 550 C PHE A 32 2.420 11.537 -2.211 1.00 0.00 C ATOM 551 O PHE A 32 1.612 12.390 -2.575 1.00 0.00 O ATOM 552 CB PHE A 32 1.315 9.931 -0.652 1.00 0.00 C ATOM 553 CG PHE A 32 -0.046 10.559 -0.827 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.820 10.874 0.296 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.535 10.825 -2.113 1.00 0.00 C ATOM 556 CE1 PHE A 32 -2.082 11.457 0.134 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.797 11.408 -2.273 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.572 11.724 -1.150 1.00 0.00 C ATOM 0 H PHE A 32 1.724 12.942 -0.317 1.00 0.00 H new ATOM 0 HA PHE A 32 3.360 10.577 -0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.470 9.156 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.383 9.449 0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.444 10.667 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.061 10.580 -2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.679 11.701 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.174 11.615 -3.264 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.546 12.173 -1.274 1.00 0.00 H new ATOM 568 N VAL A 33 3.353 11.042 -3.023 1.00 0.00 N ATOM 569 CA VAL A 33 3.452 11.509 -4.406 1.00 0.00 C ATOM 570 C VAL A 33 3.950 10.409 -5.339 1.00 0.00 C ATOM 571 O VAL A 33 4.535 9.418 -4.901 1.00 0.00 O ATOM 572 CB VAL A 33 4.406 12.702 -4.483 1.00 0.00 C ATOM 573 CG1 VAL A 33 3.911 13.818 -3.561 1.00 0.00 C ATOM 574 CG2 VAL A 33 5.806 12.266 -4.046 1.00 0.00 C ATOM 0 H VAL A 33 4.037 10.334 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 33 2.453 11.803 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 33 4.441 13.069 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.593 14.666 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.915 14.132 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.872 13.452 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.486 13.116 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.769 11.897 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.162 11.474 -4.704 1.00 0.00 H new ATOM 584 N PHE A 34 3.714 10.610 -6.635 1.00 0.00 N ATOM 585 CA PHE A 34 4.138 9.652 -7.653 1.00 0.00 C ATOM 586 C PHE A 34 4.709 10.395 -8.860 1.00 0.00 C ATOM 587 O PHE A 34 4.067 10.486 -9.907 1.00 0.00 O ATOM 588 CB PHE A 34 2.951 8.781 -8.094 1.00 0.00 C ATOM 589 CG PHE A 34 1.651 9.479 -7.769 1.00 0.00 C ATOM 590 CD1 PHE A 34 1.112 9.392 -6.480 1.00 0.00 C ATOM 591 CD2 PHE A 34 0.983 10.207 -8.759 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.094 10.038 -6.181 1.00 0.00 C ATOM 593 CE2 PHE A 34 -0.223 10.853 -8.462 1.00 0.00 C ATOM 594 CZ PHE A 34 -0.762 10.767 -7.173 1.00 0.00 C ATOM 0 H PHE A 34 3.231 11.429 -7.004 1.00 0.00 H new ATOM 0 HA PHE A 34 4.908 9.009 -7.228 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.011 8.585 -9.165 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.991 7.815 -7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.626 8.827 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.398 10.271 -9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.509 9.974 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.737 11.417 -9.226 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.693 11.263 -6.943 1.00 0.00 H new ATOM 604 N LYS A 35 5.915 10.935 -8.701 1.00 0.00 N ATOM 605 CA LYS A 35 6.563 11.680 -9.779 1.00 0.00 C ATOM 606 C LYS A 35 7.879 11.021 -10.179 1.00 0.00 C ATOM 607 O LYS A 35 8.952 11.445 -9.751 1.00 0.00 O ATOM 608 CB LYS A 35 6.832 13.119 -9.330 1.00 0.00 C ATOM 609 CG LYS A 35 5.502 13.845 -9.116 1.00 0.00 C ATOM 610 CD LYS A 35 5.769 15.316 -8.788 1.00 0.00 C ATOM 611 CE LYS A 35 4.477 15.974 -8.304 1.00 0.00 C ATOM 612 NZ LYS A 35 3.388 15.712 -9.287 1.00 0.00 N ATOM 0 H LYS A 35 6.461 10.872 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 35 5.895 11.682 -10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.412 13.121 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.426 13.640 -10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.885 13.767 -10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.946 13.376 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.539 15.394 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.145 15.834 -9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.201 15.581 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.625 17.047 -8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.620 16.399 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.762 15.805 -10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.021 14.749 -9.150 1.00 0.00 H new ATOM 626 N ASN A 36 7.783 9.983 -11.005 1.00 0.00 N ATOM 627 CA ASN A 36 8.963 9.257 -11.473 1.00 0.00 C ATOM 628 C ASN A 36 8.549 7.888 -12.007 1.00 0.00 C ATOM 629 O ASN A 36 8.262 7.734 -13.195 1.00 0.00 O ATOM 630 CB ASN A 36 9.978 9.085 -10.330 1.00 0.00 C ATOM 631 CG ASN A 36 11.050 10.170 -10.405 1.00 0.00 C ATOM 632 OD1 ASN A 36 11.608 10.420 -11.475 1.00 0.00 O ATOM 633 ND2 ASN A 36 11.372 10.832 -9.329 1.00 0.00 N ATOM 0 H ASN A 36 6.899 9.624 -11.366 1.00 0.00 H new ATOM 0 HA ASN A 36 9.432 9.831 -12.272 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.466 9.136 -9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.442 8.101 -10.392 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.087 11.558 -9.372 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.909 10.624 -8.444 1.00 0.00 H new ATOM 640 N ASN A 37 8.517 6.901 -11.120 1.00 0.00 N ATOM 641 CA ASN A 37 8.132 5.547 -11.505 1.00 0.00 C ATOM 642 C ASN A 37 7.854 4.702 -10.266 1.00 0.00 C ATOM 643 O ASN A 37 7.914 3.475 -10.316 1.00 0.00 O ATOM 644 CB ASN A 37 9.250 4.899 -12.325 1.00 0.00 C ATOM 645 CG ASN A 37 10.513 4.781 -11.479 1.00 0.00 C ATOM 646 OD1 ASN A 37 10.954 5.764 -10.881 1.00 0.00 O ATOM 647 ND2 ASN A 37 11.126 3.632 -11.391 1.00 0.00 N ATOM 0 H ASN A 37 8.752 7.011 -10.133 1.00 0.00 H new ATOM 0 HA ASN A 37 7.226 5.602 -12.108 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.937 3.912 -12.667 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.452 5.495 -13.215 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.971 3.547 -10.827 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.760 2.819 -11.887 1.00 0.00 H new ATOM 654 N VAL A 38 7.542 5.371 -9.159 1.00 0.00 N ATOM 655 CA VAL A 38 7.249 4.685 -7.905 1.00 0.00 C ATOM 656 C VAL A 38 6.353 5.555 -7.029 1.00 0.00 C ATOM 657 O VAL A 38 6.112 6.722 -7.338 1.00 0.00 O ATOM 658 CB VAL A 38 8.549 4.387 -7.152 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.244 3.569 -5.891 1.00 0.00 C ATOM 660 CG2 VAL A 38 9.495 3.594 -8.054 1.00 0.00 C ATOM 0 H VAL A 38 7.486 6.388 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 38 6.738 3.750 -8.133 1.00 0.00 H new ATOM 0 HB VAL A 38 9.020 5.328 -6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.172 3.360 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.575 4.135 -5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.768 2.630 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.419 3.383 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.021 2.656 -8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.720 4.177 -8.947 1.00 0.00 H new ATOM 670 N LEU A 39 5.872 4.982 -5.930 1.00 0.00 N ATOM 671 CA LEU A 39 5.014 5.715 -5.003 1.00 0.00 C ATOM 672 C LEU A 39 5.672 5.774 -3.629 1.00 0.00 C ATOM 673 O LEU A 39 5.994 4.738 -3.045 1.00 0.00 O ATOM 674 CB LEU A 39 3.646 5.015 -4.885 1.00 0.00 C ATOM 675 CG LEU A 39 2.609 5.723 -5.765 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.803 5.307 -7.225 1.00 0.00 C ATOM 677 CD2 LEU A 39 1.200 5.331 -5.314 1.00 0.00 C ATOM 0 H LEU A 39 6.060 4.017 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 39 4.869 6.727 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.737 3.971 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.316 5.020 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 39 2.737 6.801 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.065 5.812 -7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.805 5.585 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.678 4.228 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.464 5.835 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.076 4.252 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.055 5.626 -4.275 1.00 0.00 H new ATOM 689 N LEU A 40 5.883 6.986 -3.119 1.00 0.00 N ATOM 690 CA LEU A 40 6.519 7.155 -1.814 1.00 0.00 C ATOM 691 C LEU A 40 5.549 7.823 -0.845 1.00 0.00 C ATOM 692 O LEU A 40 4.811 8.739 -1.216 1.00 0.00 O ATOM 693 CB LEU A 40 7.786 8.019 -1.964 1.00 0.00 C ATOM 694 CG LEU A 40 9.050 7.137 -1.941 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.156 7.788 -2.779 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.540 6.987 -0.498 1.00 0.00 C ATOM 0 H LEU A 40 5.626 7.857 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 40 6.795 6.177 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.743 8.578 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.832 8.750 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 40 8.809 6.158 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.046 7.159 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.815 7.900 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.395 8.769 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.434 6.363 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.775 7.970 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.760 6.521 0.104 1.00 0.00 H new ATOM 708 N ILE A 41 5.556 7.347 0.397 1.00 0.00 N ATOM 709 CA ILE A 41 4.672 7.885 1.427 1.00 0.00 C ATOM 710 C ILE A 41 5.446 8.144 2.718 1.00 0.00 C ATOM 711 O ILE A 41 6.206 7.292 3.185 1.00 0.00 O ATOM 712 CB ILE A 41 3.532 6.902 1.701 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.843 6.538 0.380 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.517 7.548 2.646 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.857 5.392 0.612 1.00 0.00 C ATOM 0 H ILE A 41 6.163 6.591 0.714 1.00 0.00 H new ATOM 0 HA ILE A 41 4.260 8.829 1.069 1.00 0.00 H new ATOM 0 HB ILE A 41 3.933 5.999 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.319 7.406 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.587 6.246 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.705 6.848 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.007 7.806 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.115 8.451 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.369 5.136 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.393 4.522 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.105 5.700 1.339 1.00 0.00 H new ATOM 727 N LEU A 42 5.256 9.332 3.280 1.00 0.00 N ATOM 728 CA LEU A 42 5.944 9.714 4.508 1.00 0.00 C ATOM 729 C LEU A 42 5.539 8.810 5.671 1.00 0.00 C ATOM 730 O LEU A 42 4.353 8.613 5.933 1.00 0.00 O ATOM 731 CB LEU A 42 5.607 11.168 4.864 1.00 0.00 C ATOM 732 CG LEU A 42 6.354 12.138 3.936 1.00 0.00 C ATOM 733 CD1 LEU A 42 7.848 12.160 4.282 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.178 11.707 2.477 1.00 0.00 C ATOM 0 H LEU A 42 4.632 10.047 2.906 1.00 0.00 H new ATOM 0 HA LEU A 42 7.016 9.609 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.532 11.329 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.878 11.367 5.901 1.00 0.00 H new ATOM 0 HG LEU A 42 5.939 13.137 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.365 12.851 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.978 12.484 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.264 11.160 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.711 12.400 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.579 10.702 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.118 11.711 2.222 1.00 0.00 H new ATOM 746 N LEU A 43 6.536 8.281 6.373 1.00 0.00 N ATOM 747 CA LEU A 43 6.286 7.415 7.523 1.00 0.00 C ATOM 748 C LEU A 43 7.450 7.501 8.505 1.00 0.00 C ATOM 749 O LEU A 43 8.488 6.870 8.310 1.00 0.00 O ATOM 750 CB LEU A 43 6.100 5.962 7.075 1.00 0.00 C ATOM 751 CG LEU A 43 5.709 5.095 8.281 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.271 5.408 8.712 1.00 0.00 C ATOM 753 CD2 LEU A 43 5.812 3.616 7.904 1.00 0.00 C ATOM 0 H LEU A 43 7.523 8.436 6.167 1.00 0.00 H new ATOM 0 HA LEU A 43 5.372 7.752 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.328 5.904 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.022 5.588 6.629 1.00 0.00 H new ATOM 0 HG LEU A 43 6.386 5.313 9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.004 4.788 9.568 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.195 6.460 8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.590 5.200 7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.534 3.002 8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.139 3.405 7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.836 3.386 7.610 1.00 0.00 H new ATOM 765 N GLU A 44 7.271 8.290 9.561 1.00 0.00 N ATOM 766 CA GLU A 44 8.314 8.453 10.566 1.00 0.00 C ATOM 767 C GLU A 44 8.315 7.278 11.540 1.00 0.00 C ATOM 768 O GLU A 44 9.371 6.757 11.898 1.00 0.00 O ATOM 769 CB GLU A 44 8.098 9.756 11.339 1.00 0.00 C ATOM 770 CG GLU A 44 7.776 10.884 10.357 1.00 0.00 C ATOM 771 CD GLU A 44 7.748 12.222 11.088 1.00 0.00 C ATOM 772 OE1 GLU A 44 8.810 12.697 11.455 1.00 0.00 O ATOM 773 OE2 GLU A 44 6.665 12.751 11.272 1.00 0.00 O ATOM 0 H GLU A 44 6.420 8.822 9.741 1.00 0.00 H new ATOM 0 HA GLU A 44 9.277 8.487 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.283 9.637 12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.991 10.003 11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.522 10.910 9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.812 10.700 9.882 1.00 0.00 H new ATOM 780 N ASN A 45 7.125 6.868 11.967 1.00 0.00 N ATOM 781 CA ASN A 45 7.005 5.755 12.902 1.00 0.00 C ATOM 782 C ASN A 45 7.896 4.593 12.471 1.00 0.00 C ATOM 783 O ASN A 45 7.651 3.953 11.447 1.00 0.00 O ATOM 784 CB ASN A 45 5.549 5.293 12.978 1.00 0.00 C ATOM 785 CG ASN A 45 4.646 6.475 13.310 1.00 0.00 C ATOM 786 OD1 ASN A 45 3.810 6.868 12.495 1.00 0.00 O ATOM 787 ND2 ASN A 45 4.762 7.070 14.466 1.00 0.00 N ATOM 0 H ASN A 45 6.238 7.285 11.684 1.00 0.00 H new ATOM 0 HA ASN A 45 7.327 6.093 13.887 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.249 4.850 12.028 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.443 4.519 13.738 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.160 7.861 14.695 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.454 6.744 15.140 1.00 0.00 H new ATOM 794 N GLU A 46 8.932 4.335 13.260 1.00 0.00 N ATOM 795 CA GLU A 46 9.869 3.257 12.960 1.00 0.00 C ATOM 796 C GLU A 46 9.165 1.903 12.949 1.00 0.00 C ATOM 797 O GLU A 46 9.365 1.099 12.039 1.00 0.00 O ATOM 798 CB GLU A 46 10.989 3.242 14.008 1.00 0.00 C ATOM 799 CG GLU A 46 11.799 1.946 13.891 1.00 0.00 C ATOM 800 CD GLU A 46 12.275 1.754 12.455 1.00 0.00 C ATOM 801 OE1 GLU A 46 11.689 0.941 11.760 1.00 0.00 O ATOM 802 OE2 GLU A 46 13.220 2.425 12.071 1.00 0.00 O ATOM 0 H GLU A 46 9.145 4.856 14.111 1.00 0.00 H new ATOM 0 HA GLU A 46 10.288 3.435 11.970 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.642 4.103 13.866 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.564 3.326 15.008 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.655 1.981 14.565 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.188 1.097 14.196 1.00 0.00 H new ATOM 809 N PHE A 47 8.356 1.650 13.970 1.00 0.00 N ATOM 810 CA PHE A 47 7.650 0.382 14.069 1.00 0.00 C ATOM 811 C PHE A 47 6.770 0.162 12.844 1.00 0.00 C ATOM 812 O PHE A 47 6.993 -0.764 12.064 1.00 0.00 O ATOM 813 CB PHE A 47 6.786 0.361 15.335 1.00 0.00 C ATOM 814 CG PHE A 47 7.614 -0.097 16.513 1.00 0.00 C ATOM 815 CD1 PHE A 47 7.594 -1.443 16.900 1.00 0.00 C ATOM 816 CD2 PHE A 47 8.399 0.822 17.218 1.00 0.00 C ATOM 817 CE1 PHE A 47 8.359 -1.869 17.992 1.00 0.00 C ATOM 818 CE2 PHE A 47 9.165 0.397 18.310 1.00 0.00 C ATOM 819 CZ PHE A 47 9.144 -0.949 18.697 1.00 0.00 C ATOM 0 H PHE A 47 8.174 2.301 14.734 1.00 0.00 H new ATOM 0 HA PHE A 47 8.387 -0.420 14.120 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.382 1.355 15.527 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.936 -0.307 15.195 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.988 -2.152 16.356 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.414 1.860 16.920 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.344 -2.907 18.290 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.772 1.106 18.854 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.734 -1.277 19.540 1.00 0.00 H new ATOM 829 N ALA A 48 5.766 1.014 12.690 1.00 0.00 N ATOM 830 CA ALA A 48 4.847 0.900 11.563 1.00 0.00 C ATOM 831 C ALA A 48 5.611 0.659 10.269 1.00 0.00 C ATOM 832 O ALA A 48 5.130 -0.017 9.360 1.00 0.00 O ATOM 833 CB ALA A 48 4.029 2.185 11.425 1.00 0.00 C ATOM 0 H ALA A 48 5.567 1.787 13.325 1.00 0.00 H new ATOM 0 HA ALA A 48 4.183 0.056 11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.345 2.092 10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.458 2.353 12.338 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.700 3.027 11.257 1.00 0.00 H new ATOM 839 N ARG A 49 6.804 1.231 10.202 1.00 0.00 N ATOM 840 CA ARG A 49 7.644 1.102 9.022 1.00 0.00 C ATOM 841 C ARG A 49 8.334 -0.257 8.986 1.00 0.00 C ATOM 842 O ARG A 49 8.448 -0.875 7.928 1.00 0.00 O ATOM 843 CB ARG A 49 8.694 2.212 9.019 1.00 0.00 C ATOM 844 CG ARG A 49 9.337 2.312 7.631 1.00 0.00 C ATOM 845 CD ARG A 49 10.135 3.619 7.516 1.00 0.00 C ATOM 846 NE ARG A 49 11.566 3.339 7.575 1.00 0.00 N ATOM 847 CZ ARG A 49 12.432 4.263 7.979 1.00 0.00 C ATOM 848 NH1 ARG A 49 12.008 5.445 8.334 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.706 3.987 8.021 1.00 0.00 N ATOM 0 H ARG A 49 7.212 1.789 10.952 1.00 0.00 H new ATOM 0 HA ARG A 49 7.012 1.188 8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.233 3.163 9.286 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.457 2.006 9.770 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.994 1.459 7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.567 2.277 6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.893 4.121 6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.856 4.297 8.322 1.00 0.00 H new ATOM 0 HE ARG A 49 11.908 2.418 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.012 5.660 8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.673 6.154 8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.037 3.063 7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.371 4.695 8.331 1.00 0.00 H new ATOM 863 N ASN A 50 8.805 -0.709 10.140 1.00 0.00 N ATOM 864 CA ASN A 50 9.496 -1.989 10.214 1.00 0.00 C ATOM 865 C ASN A 50 8.637 -3.099 9.615 1.00 0.00 C ATOM 866 O ASN A 50 9.142 -4.041 9.009 1.00 0.00 O ATOM 867 CB ASN A 50 9.805 -2.323 11.675 1.00 0.00 C ATOM 868 CG ASN A 50 10.517 -3.669 11.762 1.00 0.00 C ATOM 869 OD1 ASN A 50 9.822 -4.770 11.676 1.00 0.00 O flip ATOM 870 ND2 ASN A 50 11.738 -3.718 11.913 1.00 0.00 N flip ATOM 0 H ASN A 50 8.723 -0.215 11.029 1.00 0.00 H new ATOM 0 HA ASN A 50 10.423 -1.915 9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.429 -1.543 12.111 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.882 -2.353 12.253 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.279 -2.856 11.980 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.209 -4.621 11.971 1.00 0.00 H new ATOM 877 N SER A 51 7.327 -2.978 9.829 1.00 0.00 N ATOM 878 CA SER A 51 6.358 -3.964 9.355 1.00 0.00 C ATOM 879 C SER A 51 5.832 -3.641 7.955 1.00 0.00 C ATOM 880 O SER A 51 5.764 -4.518 7.087 1.00 0.00 O ATOM 881 CB SER A 51 5.178 -4.001 10.331 1.00 0.00 C ATOM 882 OG SER A 51 4.829 -5.353 10.593 1.00 0.00 O ATOM 0 H SER A 51 6.909 -2.196 10.334 1.00 0.00 H new ATOM 0 HA SER A 51 6.863 -4.929 9.303 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.443 -3.495 11.259 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.326 -3.468 9.910 1.00 0.00 H new ATOM 0 HG SER A 51 4.075 -5.381 11.219 1.00 0.00 H new ATOM 888 N LEU A 52 5.446 -2.390 7.741 1.00 0.00 N ATOM 889 CA LEU A 52 4.909 -1.986 6.445 1.00 0.00 C ATOM 890 C LEU A 52 5.853 -2.383 5.317 1.00 0.00 C ATOM 891 O LEU A 52 5.438 -3.013 4.345 1.00 0.00 O ATOM 892 CB LEU A 52 4.665 -0.469 6.416 1.00 0.00 C ATOM 893 CG LEU A 52 3.259 -0.157 6.952 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.188 1.306 7.400 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.215 -0.397 5.851 1.00 0.00 C ATOM 0 H LEU A 52 5.493 -1.645 8.436 1.00 0.00 H new ATOM 0 HA LEU A 52 3.960 -2.501 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.416 0.041 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.767 -0.094 5.397 1.00 0.00 H new ATOM 0 HG LEU A 52 3.052 -0.810 7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.189 1.522 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.921 1.481 8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.403 1.957 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.221 -0.174 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.427 0.251 5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.255 -1.439 5.532 1.00 0.00 H new ATOM 907 N ASN A 53 7.121 -2.005 5.441 1.00 0.00 N ATOM 908 CA ASN A 53 8.096 -2.330 4.409 1.00 0.00 C ATOM 909 C ASN A 53 8.474 -3.809 4.456 1.00 0.00 C ATOM 910 O ASN A 53 8.982 -4.351 3.474 1.00 0.00 O ATOM 911 CB ASN A 53 9.342 -1.455 4.564 1.00 0.00 C ATOM 912 CG ASN A 53 10.196 -1.959 5.724 1.00 0.00 C ATOM 913 OD1 ASN A 53 9.629 -2.597 6.712 1.00 0.00 O flip ATOM 914 ND2 ASN A 53 11.412 -1.766 5.730 1.00 0.00 N flip ATOM 0 H ASN A 53 7.493 -1.481 6.233 1.00 0.00 H new ATOM 0 HA ASN A 53 7.643 -2.130 3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.923 -1.469 3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.049 -0.420 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.853 -1.267 4.957 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.978 -2.105 6.508 1.00 0.00 H new ATOM 921 N ASP A 54 8.215 -4.469 5.582 1.00 0.00 N ATOM 922 CA ASP A 54 8.533 -5.890 5.688 1.00 0.00 C ATOM 923 C ASP A 54 7.591 -6.680 4.789 1.00 0.00 C ATOM 924 O ASP A 54 7.880 -7.806 4.387 1.00 0.00 O ATOM 925 CB ASP A 54 8.382 -6.369 7.132 1.00 0.00 C ATOM 926 CG ASP A 54 8.566 -7.882 7.200 1.00 0.00 C ATOM 927 OD1 ASP A 54 7.606 -8.563 7.523 1.00 0.00 O ATOM 928 OD2 ASP A 54 9.665 -8.338 6.928 1.00 0.00 O ATOM 0 H ASP A 54 7.796 -4.055 6.415 1.00 0.00 H new ATOM 0 HA ASP A 54 9.566 -6.046 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.118 -5.876 7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.398 -6.096 7.514 1.00 0.00 H new ATOM 933 N ASN A 55 6.459 -6.054 4.482 1.00 0.00 N ATOM 934 CA ASN A 55 5.446 -6.664 3.626 1.00 0.00 C ATOM 935 C ASN A 55 4.553 -5.584 3.022 1.00 0.00 C ATOM 936 O ASN A 55 3.394 -5.434 3.412 1.00 0.00 O ATOM 937 CB ASN A 55 4.595 -7.643 4.437 1.00 0.00 C ATOM 938 CG ASN A 55 3.746 -8.495 3.500 1.00 0.00 C ATOM 939 OD1 ASN A 55 4.330 -9.262 2.620 1.00 0.00 O flip ATOM 940 ND2 ASN A 55 2.517 -8.463 3.572 1.00 0.00 N flip ATOM 0 H ASN A 55 6.219 -5.120 4.815 1.00 0.00 H new ATOM 0 HA ASN A 55 5.945 -7.206 2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.238 -8.283 5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.952 -7.095 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.062 -7.863 4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.954 -9.036 2.944 1.00 0.00 H new ATOM 947 N SER A 56 5.104 -4.828 2.078 1.00 0.00 N ATOM 948 CA SER A 56 4.356 -3.754 1.432 1.00 0.00 C ATOM 949 C SER A 56 3.665 -4.249 0.165 1.00 0.00 C ATOM 950 O SER A 56 3.777 -3.632 -0.894 1.00 0.00 O ATOM 951 CB SER A 56 5.301 -2.603 1.081 1.00 0.00 C ATOM 952 OG SER A 56 5.637 -1.894 2.265 1.00 0.00 O ATOM 0 H SER A 56 6.061 -4.938 1.744 1.00 0.00 H new ATOM 0 HA SER A 56 3.592 -3.407 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.203 -2.990 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.826 -1.933 0.364 1.00 0.00 H new ATOM 0 HG SER A 56 5.274 -2.366 3.043 1.00 0.00 H new ATOM 958 N GLU A 57 2.946 -5.359 0.280 1.00 0.00 N ATOM 959 CA GLU A 57 2.236 -5.916 -0.867 1.00 0.00 C ATOM 960 C GLU A 57 1.061 -5.020 -1.249 1.00 0.00 C ATOM 961 O GLU A 57 0.013 -5.501 -1.681 1.00 0.00 O ATOM 962 CB GLU A 57 1.724 -7.318 -0.532 1.00 0.00 C ATOM 963 CG GLU A 57 2.838 -8.122 0.142 1.00 0.00 C ATOM 964 CD GLU A 57 2.347 -9.532 0.455 1.00 0.00 C ATOM 965 OE1 GLU A 57 2.846 -10.461 -0.160 1.00 0.00 O ATOM 966 OE2 GLU A 57 1.481 -9.662 1.304 1.00 0.00 O ATOM 0 H GLU A 57 2.839 -5.887 1.146 1.00 0.00 H new ATOM 0 HA GLU A 57 2.926 -5.974 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.859 -7.252 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.395 -7.823 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.710 -8.168 -0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.152 -7.625 1.060 1.00 0.00 H new ATOM 973 N ILE A 58 1.242 -3.714 -1.077 1.00 0.00 N ATOM 974 CA ILE A 58 0.195 -2.751 -1.395 1.00 0.00 C ATOM 975 C ILE A 58 -0.015 -2.643 -2.904 1.00 0.00 C ATOM 976 O ILE A 58 -0.873 -1.891 -3.365 1.00 0.00 O ATOM 977 CB ILE A 58 0.574 -1.380 -0.826 1.00 0.00 C ATOM 978 CG1 ILE A 58 0.929 -1.519 0.660 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.599 -0.406 -0.985 1.00 0.00 C ATOM 980 CD1 ILE A 58 -0.200 -2.233 1.410 1.00 0.00 C ATOM 0 H ILE A 58 2.103 -3.300 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.737 -3.094 -0.947 1.00 0.00 H new ATOM 0 HB ILE A 58 1.436 -0.994 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.858 -2.079 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.098 -0.534 1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.322 0.567 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.844 -0.301 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.466 -0.790 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.064 -2.325 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.120 -1.657 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.348 -3.226 0.985 1.00 0.00 H new ATOM 992 N ILE A 59 0.762 -3.401 -3.670 1.00 0.00 N ATOM 993 CA ILE A 59 0.635 -3.383 -5.125 1.00 0.00 C ATOM 994 C ILE A 59 -0.442 -4.379 -5.557 1.00 0.00 C ATOM 995 O ILE A 59 -0.788 -4.479 -6.735 1.00 0.00 O ATOM 996 CB ILE A 59 1.987 -3.723 -5.766 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.793 -4.070 -7.247 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.612 -4.914 -5.040 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.146 -4.038 -7.969 1.00 0.00 C ATOM 0 H ILE A 59 1.481 -4.031 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 59 0.339 -2.388 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 59 2.647 -2.859 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.343 -5.058 -7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.107 -3.361 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.572 -5.155 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.762 -4.662 -3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.948 -5.775 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.003 -4.285 -9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.579 -3.041 -7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.819 -4.765 -7.514 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.976 -5.094 -4.573 1.00 0.00 N ATOM 1012 CA HIS A 60 -2.033 -6.077 -4.797 1.00 0.00 C ATOM 1013 C HIS A 60 -3.390 -5.394 -4.955 1.00 0.00 C ATOM 1014 O HIS A 60 -4.347 -6.011 -5.423 1.00 0.00 O ATOM 1015 CB HIS A 60 -2.088 -7.041 -3.606 1.00 0.00 C ATOM 1016 CG HIS A 60 -0.958 -8.029 -3.703 1.00 0.00 C ATOM 1017 ND1 HIS A 60 0.348 -7.636 -3.956 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.921 -9.396 -3.584 1.00 0.00 C ATOM 1019 CE1 HIS A 60 1.108 -8.746 -3.980 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.384 -9.847 -3.760 1.00 0.00 N ATOM 0 H HIS A 60 -0.690 -5.010 -3.598 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.810 -6.622 -5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.018 -6.484 -2.671 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.043 -7.566 -3.594 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.775 -10.026 -3.384 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.174 -8.747 -4.156 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.716 -10.811 -3.728 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.475 -4.126 -4.566 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.730 -3.379 -4.672 1.00 0.00 C ATOM 1031 C LEU A 61 -4.496 -2.069 -5.413 1.00 0.00 C ATOM 1032 O LEU A 61 -5.288 -1.674 -6.269 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.290 -3.101 -3.269 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.592 -4.009 -2.250 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.172 -3.487 -1.980 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.390 -4.027 -0.942 1.00 0.00 C ATOM 0 H LEU A 61 -2.697 -3.594 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.453 -3.973 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.136 -2.055 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.365 -3.278 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.535 -5.021 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.678 -4.134 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.603 -3.483 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.226 -2.473 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.891 -4.673 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.453 -3.016 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.394 -4.405 -1.134 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.396 -1.408 -5.082 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.046 -0.150 -5.721 1.00 0.00 C ATOM 1050 C ALA A 62 -2.964 -0.320 -7.235 1.00 0.00 C ATOM 1051 O ALA A 62 -3.105 0.647 -7.985 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.693 0.333 -5.196 1.00 0.00 C ATOM 0 H ALA A 62 -2.732 -1.723 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.819 0.583 -5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.432 1.276 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.752 0.479 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.929 -0.412 -5.420 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.714 -1.548 -7.677 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.591 -1.828 -9.106 1.00 0.00 C ATOM 1060 C GLU A 63 -3.895 -1.540 -9.845 1.00 0.00 C ATOM 1061 O GLU A 63 -4.211 -2.198 -10.837 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.194 -3.288 -9.318 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.167 -4.191 -8.560 1.00 0.00 C ATOM 1064 CD GLU A 63 -2.923 -5.650 -8.931 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -3.880 -6.408 -8.930 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -1.785 -5.988 -9.210 1.00 0.00 O ATOM 0 H GLU A 63 -2.593 -2.361 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.819 -1.173 -9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.208 -3.530 -10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.176 -3.455 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.041 -4.055 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.194 -3.914 -8.798 1.00 0.00 H new ATOM 1073 N SER A 64 -4.644 -0.548 -9.369 1.00 0.00 N ATOM 1074 CA SER A 64 -5.905 -0.178 -10.007 1.00 0.00 C ATOM 1075 C SER A 64 -5.946 1.327 -10.263 1.00 0.00 C ATOM 1076 O SER A 64 -5.969 1.766 -11.413 1.00 0.00 O ATOM 1077 CB SER A 64 -7.086 -0.586 -9.126 1.00 0.00 C ATOM 1078 OG SER A 64 -6.891 -1.917 -8.665 1.00 0.00 O ATOM 0 H SER A 64 -4.402 0.010 -8.550 1.00 0.00 H new ATOM 0 HA SER A 64 -5.977 -0.702 -10.960 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.175 0.095 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.016 -0.517 -9.690 1.00 0.00 H new ATOM 0 HG SER A 64 -6.349 -1.904 -7.849 1.00 0.00 H new ATOM 1084 N LEU A 65 -5.950 2.113 -9.192 1.00 0.00 N ATOM 1085 CA LEU A 65 -5.982 3.565 -9.329 1.00 0.00 C ATOM 1086 C LEU A 65 -4.899 4.022 -10.304 1.00 0.00 C ATOM 1087 O LEU A 65 -5.116 4.925 -11.112 1.00 0.00 O ATOM 1088 CB LEU A 65 -5.769 4.225 -7.956 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.066 4.896 -7.475 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -7.509 5.964 -8.488 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -8.172 3.838 -7.304 1.00 0.00 C ATOM 0 H LEU A 65 -5.932 1.775 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.955 3.864 -9.719 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.450 3.476 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.972 4.966 -8.021 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.884 5.375 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.429 6.435 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.729 6.719 -8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.684 5.496 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.088 4.321 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.355 3.346 -8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.857 3.098 -6.569 1.00 0.00 H new ATOM 1103 N TYR A 66 -3.739 3.375 -10.231 1.00 0.00 N ATOM 1104 CA TYR A 66 -2.624 3.696 -11.118 1.00 0.00 C ATOM 1105 C TYR A 66 -2.240 2.454 -11.918 1.00 0.00 C ATOM 1106 O TYR A 66 -1.582 1.551 -11.401 1.00 0.00 O ATOM 1107 CB TYR A 66 -1.415 4.176 -10.310 1.00 0.00 C ATOM 1108 CG TYR A 66 -1.806 5.316 -9.401 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -1.531 6.638 -9.776 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -2.431 5.052 -8.177 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -1.882 7.693 -8.927 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -2.784 6.108 -7.328 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.508 7.430 -7.703 1.00 0.00 C ATOM 1114 OH TYR A 66 -2.854 8.472 -6.866 1.00 0.00 O ATOM 0 H TYR A 66 -3.546 2.625 -9.567 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.931 4.493 -11.795 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.015 3.352 -9.719 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.623 4.497 -10.986 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.048 6.842 -10.720 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.641 4.033 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.670 8.712 -9.216 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.269 5.904 -6.385 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.149 9.153 -6.882 1.00 0.00 H new ATOM 1124 N GLU A 67 -2.669 2.407 -13.173 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.384 1.262 -14.032 1.00 0.00 C ATOM 1126 C GLU A 67 -0.890 1.125 -14.313 1.00 0.00 C ATOM 1127 O GLU A 67 -0.494 0.678 -15.390 1.00 0.00 O ATOM 1128 CB GLU A 67 -3.125 1.419 -15.354 1.00 0.00 C ATOM 1129 CG GLU A 67 -4.618 1.165 -15.140 1.00 0.00 C ATOM 1130 CD GLU A 67 -5.375 1.382 -16.446 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -5.615 0.405 -17.138 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -5.704 2.520 -16.735 1.00 0.00 O ATOM 0 H GLU A 67 -3.214 3.145 -13.619 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.718 0.365 -13.511 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.970 2.422 -15.752 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.729 0.719 -16.090 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.775 0.147 -14.784 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.003 1.835 -14.371 1.00 0.00 H new ATOM 1139 N GLY A 68 -0.066 1.507 -13.351 1.00 0.00 N ATOM 1140 CA GLY A 68 1.381 1.416 -13.525 1.00 0.00 C ATOM 1141 C GLY A 68 2.114 1.359 -12.187 1.00 0.00 C ATOM 1142 O GLY A 68 3.152 2.000 -12.016 1.00 0.00 O ATOM 0 H GLY A 68 -0.366 1.879 -12.450 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.621 0.527 -14.108 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.733 2.276 -14.095 1.00 0.00 H new ATOM 1146 N ILE A 69 1.581 0.592 -11.240 1.00 0.00 N ATOM 1147 CA ILE A 69 2.212 0.474 -9.931 1.00 0.00 C ATOM 1148 C ILE A 69 3.405 -0.474 -9.978 1.00 0.00 C ATOM 1149 O ILE A 69 3.244 -1.686 -10.124 1.00 0.00 O ATOM 1150 CB ILE A 69 1.201 -0.042 -8.907 1.00 0.00 C ATOM 1151 CG1 ILE A 69 0.100 1.007 -8.714 1.00 0.00 C ATOM 1152 CG2 ILE A 69 1.908 -0.315 -7.575 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.499 2.004 -7.618 1.00 0.00 C ATOM 0 H ILE A 69 0.725 0.050 -11.353 1.00 0.00 H new ATOM 0 HA ILE A 69 2.563 1.464 -9.639 1.00 0.00 H new ATOM 0 HB ILE A 69 0.756 -0.970 -9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.075 1.537 -9.650 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.836 0.517 -8.446 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.184 -0.683 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.686 -1.064 -7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.357 0.607 -7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.293 2.743 -7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.651 1.471 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.423 2.507 -7.903 1.00 0.00 H new ATOM 1165 N LYS A 70 4.599 0.086 -9.830 1.00 0.00 N ATOM 1166 CA LYS A 70 5.813 -0.716 -9.832 1.00 0.00 C ATOM 1167 C LYS A 70 6.029 -1.314 -8.448 1.00 0.00 C ATOM 1168 O LYS A 70 6.503 -2.442 -8.308 1.00 0.00 O ATOM 1169 CB LYS A 70 7.014 0.158 -10.202 1.00 0.00 C ATOM 1170 CG LYS A 70 6.810 0.752 -11.604 1.00 0.00 C ATOM 1171 CD LYS A 70 7.314 -0.232 -12.670 1.00 0.00 C ATOM 1172 CE LYS A 70 8.812 -0.019 -12.906 1.00 0.00 C ATOM 1173 NZ LYS A 70 9.012 1.178 -13.771 1.00 0.00 N ATOM 0 H LYS A 70 4.751 1.087 -9.708 1.00 0.00 H new ATOM 0 HA LYS A 70 5.712 -1.516 -10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.133 0.958 -9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.929 -0.434 -10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.754 0.967 -11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.345 1.698 -11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.129 -1.257 -12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.766 -0.086 -13.601 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.326 0.117 -11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.246 -0.900 -13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.550 0.907 -14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.087 1.560 -14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.539 1.903 -13.244 1.00 0.00 H new ATOM 1187 N SER A 71 5.666 -0.541 -7.429 1.00 0.00 N ATOM 1188 CA SER A 71 5.808 -0.979 -6.046 1.00 0.00 C ATOM 1189 C SER A 71 5.345 0.122 -5.094 1.00 0.00 C ATOM 1190 O SER A 71 4.875 1.174 -5.530 1.00 0.00 O ATOM 1191 CB SER A 71 7.268 -1.330 -5.754 1.00 0.00 C ATOM 1192 OG SER A 71 7.535 -2.649 -6.212 1.00 0.00 O ATOM 0 H SER A 71 5.271 0.393 -7.536 1.00 0.00 H new ATOM 0 HA SER A 71 5.189 -1.864 -5.896 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.931 -0.620 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.464 -1.257 -4.684 1.00 0.00 H new ATOM 0 HG SER A 71 6.831 -2.928 -6.835 1.00 0.00 H new ATOM 1198 N VAL A 72 5.498 -0.121 -3.796 1.00 0.00 N ATOM 1199 CA VAL A 72 5.106 0.861 -2.786 1.00 0.00 C ATOM 1200 C VAL A 72 6.156 0.914 -1.679 1.00 0.00 C ATOM 1201 O VAL A 72 6.634 -0.120 -1.211 1.00 0.00 O ATOM 1202 CB VAL A 72 3.735 0.510 -2.203 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.243 1.664 -1.325 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.737 0.273 -3.347 1.00 0.00 C ATOM 0 H VAL A 72 5.888 -0.984 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 72 5.038 1.842 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 72 3.817 -0.395 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.267 1.414 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.951 1.831 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.161 2.569 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.761 0.023 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.654 1.177 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.087 -0.549 -3.971 1.00 0.00 H new ATOM 1214 N ASN A 73 6.530 2.132 -1.291 1.00 0.00 N ATOM 1215 CA ASN A 73 7.550 2.328 -0.265 1.00 0.00 C ATOM 1216 C ASN A 73 7.154 3.413 0.735 1.00 0.00 C ATOM 1217 O ASN A 73 6.347 4.295 0.439 1.00 0.00 O ATOM 1218 CB ASN A 73 8.865 2.731 -0.934 1.00 0.00 C ATOM 1219 CG ASN A 73 9.986 2.763 0.098 1.00 0.00 C ATOM 1220 OD1 ASN A 73 10.014 1.940 1.013 1.00 0.00 O ATOM 1221 ND2 ASN A 73 10.920 3.671 0.005 1.00 0.00 N ATOM 0 H ASN A 73 6.142 2.996 -1.671 1.00 0.00 H new ATOM 0 HA ASN A 73 7.660 1.389 0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.110 2.025 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.760 3.711 -1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.674 3.699 0.691 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.895 4.352 -0.754 1.00 0.00 H new ATOM 1228 N PHE A 74 7.756 3.336 1.920 1.00 0.00 N ATOM 1229 CA PHE A 74 7.507 4.302 2.985 1.00 0.00 C ATOM 1230 C PHE A 74 8.832 4.667 3.646 1.00 0.00 C ATOM 1231 O PHE A 74 9.621 3.785 3.984 1.00 0.00 O ATOM 1232 CB PHE A 74 6.562 3.707 4.031 1.00 0.00 C ATOM 1233 CG PHE A 74 5.400 3.029 3.343 1.00 0.00 C ATOM 1234 CD1 PHE A 74 5.601 1.837 2.636 1.00 0.00 C ATOM 1235 CD2 PHE A 74 4.120 3.594 3.411 1.00 0.00 C ATOM 1236 CE1 PHE A 74 4.524 1.211 1.999 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.044 2.966 2.774 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.245 1.775 2.069 1.00 0.00 C ATOM 0 H PHE A 74 8.425 2.607 2.167 1.00 0.00 H new ATOM 0 HA PHE A 74 7.044 5.193 2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.098 2.989 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.197 4.492 4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.588 1.401 2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.964 4.514 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.680 0.292 1.453 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.057 3.402 2.827 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.413 1.291 1.579 1.00 0.00 H new ATOM 1248 N VAL A 75 9.087 5.962 3.819 1.00 0.00 N ATOM 1249 CA VAL A 75 10.344 6.392 4.429 1.00 0.00 C ATOM 1250 C VAL A 75 10.163 7.666 5.249 1.00 0.00 C ATOM 1251 O VAL A 75 9.046 8.148 5.430 1.00 0.00 O ATOM 1252 CB VAL A 75 11.392 6.629 3.342 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.490 5.395 2.443 1.00 0.00 C ATOM 1254 CG2 VAL A 75 10.989 7.841 2.500 1.00 0.00 C ATOM 0 H VAL A 75 8.456 6.718 3.552 1.00 0.00 H new ATOM 0 HA VAL A 75 10.677 5.601 5.101 1.00 0.00 H new ATOM 0 HB VAL A 75 12.360 6.814 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.238 5.567 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.779 4.531 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.523 5.206 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.736 8.010 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.020 7.656 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.923 8.722 3.139 1.00 0.00 H new ATOM 1264 N ASN A 76 11.278 8.202 5.746 1.00 0.00 N ATOM 1265 CA ASN A 76 11.245 9.417 6.555 1.00 0.00 C ATOM 1266 C ASN A 76 11.378 10.663 5.685 1.00 0.00 C ATOM 1267 O ASN A 76 11.723 10.584 4.507 1.00 0.00 O ATOM 1268 CB ASN A 76 12.379 9.391 7.588 1.00 0.00 C ATOM 1269 CG ASN A 76 13.540 8.551 7.069 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.384 7.353 6.831 1.00 0.00 O ATOM 1271 ND2 ASN A 76 14.705 9.110 6.878 1.00 0.00 N ATOM 0 H ASN A 76 12.211 7.815 5.603 1.00 0.00 H new ATOM 0 HA ASN A 76 10.283 9.454 7.066 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.718 10.406 7.793 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.015 8.980 8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.487 8.554 6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.833 10.102 7.075 1.00 0.00 H new ATOM 1278 N GLU A 77 11.082 11.810 6.284 1.00 0.00 N ATOM 1279 CA GLU A 77 11.145 13.086 5.580 1.00 0.00 C ATOM 1280 C GLU A 77 12.338 13.156 4.633 1.00 0.00 C ATOM 1281 O GLU A 77 12.174 13.118 3.415 1.00 0.00 O ATOM 1282 CB GLU A 77 11.232 14.231 6.592 1.00 0.00 C ATOM 1283 CG GLU A 77 9.865 14.445 7.245 1.00 0.00 C ATOM 1284 CD GLU A 77 9.421 13.174 7.961 1.00 0.00 C ATOM 1285 OE1 GLU A 77 8.248 12.851 7.880 1.00 0.00 O ATOM 1286 OE2 GLU A 77 10.262 12.541 8.579 1.00 0.00 O ATOM 0 H GLU A 77 10.795 11.883 7.260 1.00 0.00 H new ATOM 0 HA GLU A 77 10.237 13.178 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.978 14.001 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.556 15.145 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.917 15.271 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.131 14.720 6.488 1.00 0.00 H new ATOM 1293 N GLN A 78 13.533 13.281 5.197 1.00 0.00 N ATOM 1294 CA GLN A 78 14.741 13.385 4.385 1.00 0.00 C ATOM 1295 C GLN A 78 14.768 12.313 3.306 1.00 0.00 C ATOM 1296 O GLN A 78 14.943 12.613 2.126 1.00 0.00 O ATOM 1297 CB GLN A 78 15.983 13.261 5.270 1.00 0.00 C ATOM 1298 CG GLN A 78 17.216 13.719 4.488 1.00 0.00 C ATOM 1299 CD GLN A 78 18.484 13.365 5.258 1.00 0.00 C ATOM 1300 OE1 GLN A 78 18.936 14.139 6.101 1.00 0.00 O ATOM 1301 NE2 GLN A 78 19.087 12.233 5.016 1.00 0.00 N ATOM 0 H GLN A 78 13.692 13.313 6.204 1.00 0.00 H new ATOM 0 HA GLN A 78 14.739 14.361 3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.864 13.866 6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.109 12.228 5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.232 13.244 3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 78 17.171 14.795 4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.710 11.594 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.935 11.988 5.526 1.00 0.00 H new ATOM 1310 N ASP A 79 14.596 11.064 3.713 1.00 0.00 N ATOM 1311 CA ASP A 79 14.606 9.963 2.758 1.00 0.00 C ATOM 1312 C ASP A 79 13.710 10.287 1.567 1.00 0.00 C ATOM 1313 O ASP A 79 14.192 10.497 0.451 1.00 0.00 O ATOM 1314 CB ASP A 79 14.127 8.679 3.431 1.00 0.00 C ATOM 1315 CG ASP A 79 15.198 8.155 4.380 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.064 7.030 4.832 1.00 0.00 O ATOM 1317 OD2 ASP A 79 16.140 8.887 4.641 1.00 0.00 O ATOM 0 H ASP A 79 14.450 10.788 4.684 1.00 0.00 H new ATOM 0 HA ASP A 79 15.627 9.820 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.205 8.869 3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.899 7.927 2.676 1.00 0.00 H new ATOM 1322 N PHE A 80 12.402 10.338 1.809 1.00 0.00 N ATOM 1323 CA PHE A 80 11.456 10.651 0.744 1.00 0.00 C ATOM 1324 C PHE A 80 11.939 11.873 -0.031 1.00 0.00 C ATOM 1325 O PHE A 80 11.798 11.944 -1.250 1.00 0.00 O ATOM 1326 CB PHE A 80 10.068 10.938 1.332 1.00 0.00 C ATOM 1327 CG PHE A 80 9.295 11.831 0.384 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.041 11.404 -0.925 1.00 0.00 C ATOM 1329 CD2 PHE A 80 8.846 13.089 0.807 1.00 0.00 C ATOM 1330 CE1 PHE A 80 8.338 12.231 -1.809 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.141 13.916 -0.077 1.00 0.00 C ATOM 1332 CZ PHE A 80 7.889 13.486 -1.386 1.00 0.00 C ATOM 0 H PHE A 80 11.978 10.169 2.721 1.00 0.00 H new ATOM 0 HA PHE A 80 11.389 9.794 0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.528 10.005 1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.166 11.420 2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.388 10.435 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.044 13.421 1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.142 11.900 -2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.792 14.884 0.250 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.348 14.124 -2.069 1.00 0.00 H new ATOM 1342 N PHE A 81 12.500 12.833 0.695 1.00 0.00 N ATOM 1343 CA PHE A 81 12.998 14.057 0.083 1.00 0.00 C ATOM 1344 C PHE A 81 14.341 13.827 -0.599 1.00 0.00 C ATOM 1345 O PHE A 81 14.814 14.679 -1.351 1.00 0.00 O ATOM 1346 CB PHE A 81 13.148 15.151 1.148 1.00 0.00 C ATOM 1347 CG PHE A 81 12.716 16.472 0.553 1.00 0.00 C ATOM 1348 CD1 PHE A 81 13.672 17.421 0.175 1.00 0.00 C ATOM 1349 CD2 PHE A 81 11.354 16.735 0.363 1.00 0.00 C ATOM 1350 CE1 PHE A 81 13.265 18.635 -0.392 1.00 0.00 C ATOM 1351 CE2 PHE A 81 10.948 17.948 -0.202 1.00 0.00 C ATOM 1352 CZ PHE A 81 11.903 18.899 -0.580 1.00 0.00 C ATOM 0 H PHE A 81 12.621 12.787 1.707 1.00 0.00 H new ATOM 0 HA PHE A 81 12.277 14.372 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.540 14.914 2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.183 15.210 1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 81 14.723 17.218 0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.617 16.001 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 81 14.002 19.368 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.897 18.151 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.589 19.836 -1.016 1.00 0.00 H new ATOM 1362 N PHE A 82 14.953 12.676 -0.341 1.00 0.00 N ATOM 1363 CA PHE A 82 16.238 12.364 -0.950 1.00 0.00 C ATOM 1364 C PHE A 82 16.031 11.922 -2.392 1.00 0.00 C ATOM 1365 O PHE A 82 16.780 12.312 -3.287 1.00 0.00 O ATOM 1366 CB PHE A 82 16.938 11.254 -0.155 1.00 0.00 C ATOM 1367 CG PHE A 82 18.429 11.294 -0.417 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.174 12.423 -0.052 1.00 0.00 C ATOM 1369 CD2 PHE A 82 19.063 10.203 -1.023 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.553 12.459 -0.294 1.00 0.00 C ATOM 1371 CE2 PHE A 82 20.443 10.240 -1.265 1.00 0.00 C ATOM 1372 CZ PHE A 82 21.187 11.368 -0.901 1.00 0.00 C ATOM 0 H PHE A 82 14.585 11.953 0.277 1.00 0.00 H new ATOM 0 HA PHE A 82 16.865 13.255 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.744 11.380 0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.536 10.282 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 82 18.685 13.265 0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 82 18.489 9.333 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.128 13.329 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 82 20.932 9.398 -1.732 1.00 0.00 H new ATOM 0 HZ PHE A 82 22.250 11.397 -1.088 1.00 0.00 H new ATOM 1382 N ASN A 83 14.998 11.115 -2.610 1.00 0.00 N ATOM 1383 CA ASN A 83 14.687 10.633 -3.950 1.00 0.00 C ATOM 1384 C ASN A 83 14.503 11.808 -4.905 1.00 0.00 C ATOM 1385 O ASN A 83 14.680 11.671 -6.116 1.00 0.00 O ATOM 1386 CB ASN A 83 13.411 9.788 -3.921 1.00 0.00 C ATOM 1387 CG ASN A 83 13.055 9.333 -5.332 1.00 0.00 C ATOM 1388 OD1 ASN A 83 14.007 9.135 -6.204 1.00 0.00 O flip ATOM 1389 ND2 ASN A 83 11.879 9.152 -5.649 1.00 0.00 N flip ATOM 0 H ASN A 83 14.366 10.783 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 83 15.517 10.018 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.554 8.921 -3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.590 10.368 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.137 9.307 -4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.647 8.847 -6.594 1.00 0.00 H new ATOM 1396 N LEU A 84 14.129 12.960 -4.352 1.00 0.00 N ATOM 1397 CA LEU A 84 13.904 14.153 -5.163 1.00 0.00 C ATOM 1398 C LEU A 84 15.210 14.906 -5.387 1.00 0.00 C ATOM 1399 O LEU A 84 15.280 15.803 -6.227 1.00 0.00 O ATOM 1400 CB LEU A 84 12.917 15.090 -4.450 1.00 0.00 C ATOM 1401 CG LEU A 84 11.483 14.542 -4.521 1.00 0.00 C ATOM 1402 CD1 LEU A 84 10.892 14.783 -5.914 1.00 0.00 C ATOM 1403 CD2 LEU A 84 11.477 13.042 -4.218 1.00 0.00 C ATOM 0 H LEU A 84 13.976 13.092 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 84 13.498 13.837 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.213 15.209 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.955 16.079 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 84 10.877 15.062 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.876 14.390 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.875 15.853 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.504 14.278 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.456 12.664 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.095 12.521 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.876 12.871 -3.218 1.00 0.00 H new ATOM 1415 N ALA A 85 16.236 14.551 -4.616 1.00 0.00 N ATOM 1416 CA ALA A 85 17.526 15.222 -4.728 1.00 0.00 C ATOM 1417 C ALA A 85 18.674 14.223 -4.828 1.00 0.00 C ATOM 1418 O ALA A 85 19.719 14.405 -4.203 1.00 0.00 O ATOM 1419 CB ALA A 85 17.745 16.128 -3.515 1.00 0.00 C ATOM 0 H ALA A 85 16.199 13.811 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 85 17.513 15.816 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 85 18.710 16.627 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.953 16.875 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 85 17.729 15.528 -2.605 1.00 0.00 H new ATOM 1425 N LYS A 86 18.490 13.181 -5.632 1.00 0.00 N ATOM 1426 CA LYS A 86 19.533 12.178 -5.820 1.00 0.00 C ATOM 1427 C LYS A 86 19.469 11.615 -7.238 1.00 0.00 C ATOM 1428 O LYS A 86 20.140 10.635 -7.561 1.00 0.00 O ATOM 1429 CB LYS A 86 19.383 11.047 -4.792 1.00 0.00 C ATOM 1430 CG LYS A 86 18.327 10.039 -5.258 1.00 0.00 C ATOM 1431 CD LYS A 86 18.069 9.022 -4.144 1.00 0.00 C ATOM 1432 CE LYS A 86 17.306 7.824 -4.715 1.00 0.00 C ATOM 1433 NZ LYS A 86 16.747 7.012 -3.598 1.00 0.00 N ATOM 0 H LYS A 86 17.635 13.009 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 86 20.503 12.652 -5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 86 20.340 10.543 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 86 19.098 11.461 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 86 17.403 10.556 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.668 9.529 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.014 8.693 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 86 17.494 9.484 -3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.502 8.168 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.971 7.213 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.229 6.198 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.522 6.673 -2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.099 7.598 -3.033 1.00 0.00 H new