USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 798 hydrogens (2 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 87 ASN : amide:sc= 1.14 K(o=1.3,f=0.11) USER MOD Set 1.2: A 90 THR OG1 : rot -150:sc= 0.16 USER MOD Set 2.1: A 54 SER OG : rot -31:sc= 0.211 USER MOD Set 2.2: A 56 THR OG1 : rot 71:sc= 1.29 USER MOD Set 3.1: A 18 LYS NZ :NH3+ -112:sc= 0.363 (180deg=0) USER MOD Set 3.2: A 20 TYR OH : rot 180:sc= 0.329 USER MOD Single : A 4 GLN : amide:sc= -0.028 K(o=-0.028,f=-1.7!) USER MOD Single : A 5 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.63) USER MOD Single : A 6 LYS NZ :NH3+ -128:sc= -0.227 (180deg=-1.34!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -139:sc= -1.59 (180deg=-2.38!) USER MOD Single : A 17 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.9) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -43:sc= 0.822 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.98! C(o=-2!,f=-5.4!) USER MOD Single : A 63 SER OG : rot -79:sc= 0.0569 USER MOD Single : A 67 SER OG : rot 180:sc= -0.184 USER MOD Single : A 70 GLN : amide:sc= -0.483 K(o=-0.48,f=-2.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.87! X(o=-2.9!,f=-2.6) USER MOD Single : A 83 ASN : amide:sc= -2.45! C(o=-2.4!,f=-5.7!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -140:sc= -0.0585 (180deg=-0.601) USER MOD Single : A 94 ASN : amide:sc= -5.78! C(o=-5.8!,f=-12!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 33.396 -8.075 17.971 1.00 0.00 N ATOM 2 CA ALA A 2 33.860 -7.498 16.677 1.00 0.00 C ATOM 3 C ALA A 2 32.651 -7.180 15.805 1.00 0.00 C ATOM 4 O ALA A 2 31.870 -8.068 15.460 1.00 0.00 O ATOM 5 CB ALA A 2 34.764 -8.504 15.966 1.00 0.00 C ATOM 0 HA ALA A 2 34.421 -6.582 16.862 1.00 0.00 H new ATOM 0 HB1 ALA A 2 35.104 -8.083 15.020 1.00 0.00 H new ATOM 0 HB2 ALA A 2 35.626 -8.726 16.595 1.00 0.00 H new ATOM 0 HB3 ALA A 2 34.208 -9.422 15.776 1.00 0.00 H new ATOM 13 N LEU A 3 32.505 -5.909 15.453 1.00 0.00 N ATOM 14 CA LEU A 3 31.387 -5.481 14.621 1.00 0.00 C ATOM 15 C LEU A 3 31.652 -5.816 13.157 1.00 0.00 C ATOM 16 O LEU A 3 32.772 -5.675 12.668 1.00 0.00 O ATOM 17 CB LEU A 3 31.169 -3.973 14.780 1.00 0.00 C ATOM 18 CG LEU A 3 30.432 -3.684 16.102 1.00 0.00 C ATOM 19 CD1 LEU A 3 28.973 -4.194 16.044 1.00 0.00 C ATOM 20 CD2 LEU A 3 31.185 -4.367 17.256 1.00 0.00 C ATOM 0 H LEU A 3 33.142 -5.161 15.728 1.00 0.00 H new ATOM 0 HA LEU A 3 30.490 -6.010 14.942 1.00 0.00 H new ATOM 0 HB2 LEU A 3 32.128 -3.455 14.768 1.00 0.00 H new ATOM 0 HB3 LEU A 3 30.590 -3.590 13.940 1.00 0.00 H new ATOM 0 HG LEU A 3 30.404 -2.607 16.265 1.00 0.00 H new ATOM 0 HD11 LEU A 3 28.474 -3.978 16.989 1.00 0.00 H new ATOM 0 HD12 LEU A 3 28.445 -3.694 15.232 1.00 0.00 H new ATOM 0 HD13 LEU A 3 28.970 -5.270 15.870 1.00 0.00 H new ATOM 0 HD21 LEU A 3 30.670 -4.167 18.195 1.00 0.00 H new ATOM 0 HD22 LEU A 3 31.219 -5.443 17.082 1.00 0.00 H new ATOM 0 HD23 LEU A 3 32.201 -3.976 17.309 1.00 0.00 H new ATOM 32 N GLN A 4 30.609 -6.259 12.467 1.00 0.00 N ATOM 33 CA GLN A 4 30.722 -6.616 11.058 1.00 0.00 C ATOM 34 C GLN A 4 29.426 -6.303 10.323 1.00 0.00 C ATOM 35 O GLN A 4 28.348 -6.290 10.919 1.00 0.00 O ATOM 36 CB GLN A 4 31.046 -8.105 10.924 1.00 0.00 C ATOM 37 CG GLN A 4 31.154 -8.474 9.444 1.00 0.00 C ATOM 38 CD GLN A 4 31.660 -9.904 9.300 1.00 0.00 C ATOM 39 OE1 GLN A 4 32.224 -10.464 10.240 1.00 0.00 O ATOM 40 NE2 GLN A 4 31.489 -10.532 8.170 1.00 0.00 N ATOM 0 H GLN A 4 29.675 -6.380 12.860 1.00 0.00 H new ATOM 0 HA GLN A 4 31.526 -6.029 10.614 1.00 0.00 H new ATOM 0 HB2 GLN A 4 31.982 -8.332 11.435 1.00 0.00 H new ATOM 0 HB3 GLN A 4 30.269 -8.701 11.402 1.00 0.00 H new ATOM 0 HG2 GLN A 4 30.181 -8.374 8.964 1.00 0.00 H new ATOM 0 HG3 GLN A 4 31.832 -7.787 8.938 1.00 0.00 H new ATOM 0 HE21 GLN A 4 31.021 -10.065 7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 4 31.823 -11.490 8.063 1.00 0.00 H new ATOM 49 N ASN A 5 29.540 -6.055 9.021 1.00 0.00 N ATOM 50 CA ASN A 5 28.374 -5.744 8.194 1.00 0.00 C ATOM 51 C ASN A 5 28.506 -6.394 6.822 1.00 0.00 C ATOM 52 O ASN A 5 29.531 -6.257 6.154 1.00 0.00 O ATOM 53 CB ASN A 5 28.247 -4.230 8.027 1.00 0.00 C ATOM 54 CG ASN A 5 28.004 -3.578 9.382 1.00 0.00 C ATOM 55 OD1 ASN A 5 27.075 -3.955 10.096 1.00 0.00 O ATOM 56 ND2 ASN A 5 28.792 -2.620 9.784 1.00 0.00 N ATOM 0 H ASN A 5 30.426 -6.063 8.515 1.00 0.00 H new ATOM 0 HA ASN A 5 27.484 -6.135 8.688 1.00 0.00 H new ATOM 0 HB2 ASN A 5 29.155 -3.827 7.577 1.00 0.00 H new ATOM 0 HB3 ASN A 5 27.426 -3.998 7.349 1.00 0.00 H new ATOM 0 HD21 ASN A 5 28.639 -2.181 10.692 1.00 0.00 H new ATOM 0 HD22 ASN A 5 29.561 -2.309 9.190 1.00 0.00 H new ATOM 63 N LYS A 6 27.458 -7.102 6.406 1.00 0.00 N ATOM 64 CA LYS A 6 27.454 -7.775 5.108 1.00 0.00 C ATOM 65 C LYS A 6 26.094 -7.632 4.434 1.00 0.00 C ATOM 66 O LYS A 6 25.981 -7.731 3.212 1.00 0.00 O ATOM 67 CB LYS A 6 27.789 -9.257 5.297 1.00 0.00 C ATOM 68 CG LYS A 6 26.733 -9.920 6.192 1.00 0.00 C ATOM 69 CD LYS A 6 27.094 -11.398 6.429 1.00 0.00 C ATOM 70 CE LYS A 6 26.537 -12.262 5.292 1.00 0.00 C ATOM 71 NZ LYS A 6 25.051 -12.156 5.280 1.00 0.00 N ATOM 0 H LYS A 6 26.602 -7.225 6.947 1.00 0.00 H new ATOM 0 HA LYS A 6 28.206 -7.311 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 6 27.824 -9.757 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 6 28.777 -9.361 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.671 -9.395 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.751 -9.848 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 6 28.177 -11.512 6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.687 -11.732 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.945 -11.933 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.839 -13.301 5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.635 -13.109 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.733 -11.634 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.746 -11.650 4.424 1.00 0.00 H new ATOM 85 N GLU A 7 25.062 -7.406 5.239 1.00 0.00 N ATOM 86 CA GLU A 7 23.712 -7.254 4.711 1.00 0.00 C ATOM 87 C GLU A 7 23.597 -5.967 3.900 1.00 0.00 C ATOM 88 O GLU A 7 22.899 -5.918 2.889 1.00 0.00 O ATOM 89 CB GLU A 7 22.701 -7.232 5.859 1.00 0.00 C ATOM 90 CG GLU A 7 22.668 -8.604 6.534 1.00 0.00 C ATOM 91 CD GLU A 7 21.735 -8.569 7.740 1.00 0.00 C ATOM 92 OE1 GLU A 7 21.182 -7.516 8.006 1.00 0.00 O ATOM 93 OE2 GLU A 7 21.587 -9.599 8.379 1.00 0.00 O ATOM 0 H GLU A 7 25.133 -7.324 6.253 1.00 0.00 H new ATOM 0 HA GLU A 7 23.499 -8.101 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 7 22.974 -6.465 6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.711 -6.976 5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 7 22.331 -9.360 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 7 23.672 -8.888 6.849 1.00 0.00 H new ATOM 100 N GLU A 8 24.285 -4.926 4.358 1.00 0.00 N ATOM 101 CA GLU A 8 24.254 -3.639 3.672 1.00 0.00 C ATOM 102 C GLU A 8 24.908 -3.748 2.299 1.00 0.00 C ATOM 103 O GLU A 8 24.512 -3.063 1.356 1.00 0.00 O ATOM 104 CB GLU A 8 24.984 -2.582 4.505 1.00 0.00 C ATOM 105 CG GLU A 8 24.825 -1.210 3.846 1.00 0.00 C ATOM 106 CD GLU A 8 25.513 -0.142 4.689 1.00 0.00 C ATOM 107 OE1 GLU A 8 26.631 -0.381 5.113 1.00 0.00 O ATOM 108 OE2 GLU A 8 24.909 0.896 4.903 1.00 0.00 O ATOM 0 H GLU A 8 24.867 -4.947 5.195 1.00 0.00 H new ATOM 0 HA GLU A 8 23.213 -3.343 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 8 24.580 -2.560 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 8 26.041 -2.836 4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 8 25.255 -1.227 2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 8 23.767 -0.971 3.735 1.00 0.00 H new ATOM 115 N GLU A 9 25.913 -4.611 2.195 1.00 0.00 N ATOM 116 CA GLU A 9 26.620 -4.796 0.933 1.00 0.00 C ATOM 117 C GLU A 9 25.646 -5.210 -0.165 1.00 0.00 C ATOM 118 O GLU A 9 25.796 -4.813 -1.320 1.00 0.00 O ATOM 119 CB GLU A 9 27.698 -5.870 1.092 1.00 0.00 C ATOM 120 CG GLU A 9 28.520 -5.964 -0.195 1.00 0.00 C ATOM 121 CD GLU A 9 29.644 -6.981 -0.023 1.00 0.00 C ATOM 122 OE1 GLU A 9 29.606 -7.718 0.948 1.00 0.00 O ATOM 123 OE2 GLU A 9 30.528 -7.006 -0.863 1.00 0.00 O ATOM 0 H GLU A 9 26.254 -5.189 2.963 1.00 0.00 H new ATOM 0 HA GLU A 9 27.087 -3.851 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 9 28.347 -5.627 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 9 27.237 -6.833 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 9 27.878 -6.256 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 9 28.937 -4.988 -0.442 1.00 0.00 H new ATOM 130 N LYS A 10 24.649 -6.005 0.202 1.00 0.00 N ATOM 131 CA LYS A 10 23.659 -6.461 -0.765 1.00 0.00 C ATOM 132 C LYS A 10 22.639 -5.363 -1.045 1.00 0.00 C ATOM 133 O LYS A 10 21.762 -5.092 -0.222 1.00 0.00 O ATOM 134 CB LYS A 10 22.939 -7.697 -0.227 1.00 0.00 C ATOM 135 CG LYS A 10 23.923 -8.864 -0.133 1.00 0.00 C ATOM 136 CD LYS A 10 23.166 -10.154 0.202 1.00 0.00 C ATOM 137 CE LYS A 10 22.596 -10.078 1.623 1.00 0.00 C ATOM 138 NZ LYS A 10 22.224 -11.448 2.080 1.00 0.00 N ATOM 0 H LYS A 10 24.505 -6.345 1.153 1.00 0.00 H new ATOM 0 HA LYS A 10 24.173 -6.711 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 10 22.516 -7.485 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 10 22.108 -7.960 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.457 -8.979 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.671 -8.661 0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 10 22.359 -10.307 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 10 23.835 -11.010 0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 10 23.332 -9.644 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 10 21.722 -9.426 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 21.837 -11.399 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 21.508 -11.845 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 23.068 -12.056 2.076 1.00 0.00 H new ATOM 152 N LYS A 11 22.760 -4.732 -2.209 1.00 0.00 N ATOM 153 CA LYS A 11 21.841 -3.664 -2.587 1.00 0.00 C ATOM 154 C LYS A 11 20.420 -4.194 -2.730 1.00 0.00 C ATOM 155 O LYS A 11 19.467 -3.575 -2.257 1.00 0.00 O ATOM 156 CB LYS A 11 22.284 -3.038 -3.910 1.00 0.00 C ATOM 157 CG LYS A 11 23.587 -2.265 -3.699 1.00 0.00 C ATOM 158 CD LYS A 11 24.028 -1.639 -5.022 1.00 0.00 C ATOM 159 CE LYS A 11 25.326 -0.860 -4.811 1.00 0.00 C ATOM 160 NZ LYS A 11 25.758 -0.252 -6.101 1.00 0.00 N ATOM 0 H LYS A 11 23.479 -4.939 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 11 21.856 -2.910 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 11 22.427 -3.814 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 11 21.509 -2.370 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 11 23.444 -1.489 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 11 24.362 -2.933 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 11 24.176 -2.416 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 11 23.250 -0.975 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 11 25.178 -0.082 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.103 -1.524 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 26.641 0.278 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 25.916 -1.003 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 25.019 0.394 -6.445 1.00 0.00 H new ATOM 174 N LYS A 12 20.284 -5.343 -3.383 1.00 0.00 N ATOM 175 CA LYS A 12 18.968 -5.947 -3.580 1.00 0.00 C ATOM 176 C LYS A 12 17.938 -4.893 -3.963 1.00 0.00 C ATOM 177 O LYS A 12 16.832 -4.865 -3.421 1.00 0.00 O ATOM 178 CB LYS A 12 18.527 -6.653 -2.295 1.00 0.00 C ATOM 179 CG LYS A 12 19.364 -7.923 -2.069 1.00 0.00 C ATOM 180 CD LYS A 12 18.781 -9.096 -2.867 1.00 0.00 C ATOM 181 CE LYS A 12 19.617 -10.348 -2.615 1.00 0.00 C ATOM 182 NZ LYS A 12 19.037 -11.482 -3.387 1.00 0.00 N ATOM 0 H LYS A 12 21.060 -5.872 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 12 19.040 -6.671 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.639 -5.980 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.470 -6.912 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.396 -7.745 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.382 -8.170 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.746 -9.271 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.774 -8.858 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.651 -10.177 -2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.630 -10.584 -1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.601 -12.340 -3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.057 -11.647 -3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.047 -11.252 -4.401 1.00 0.00 H new ATOM 196 N VAL A 13 18.309 -4.027 -4.900 1.00 0.00 N ATOM 197 CA VAL A 13 17.417 -2.967 -5.359 1.00 0.00 C ATOM 198 C VAL A 13 16.857 -3.312 -6.735 1.00 0.00 C ATOM 199 O VAL A 13 17.602 -3.650 -7.653 1.00 0.00 O ATOM 200 CB VAL A 13 18.177 -1.643 -5.434 1.00 0.00 C ATOM 201 CG1 VAL A 13 19.348 -1.774 -6.411 1.00 0.00 C ATOM 202 CG2 VAL A 13 17.228 -0.545 -5.915 1.00 0.00 C ATOM 0 H VAL A 13 19.221 -4.038 -5.357 1.00 0.00 H new ATOM 0 HA VAL A 13 16.593 -2.871 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 13 18.562 -1.388 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 13 19.887 -0.828 -6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 13 20.023 -2.558 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 13 18.969 -2.029 -7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.765 0.402 -5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 13 16.844 -0.803 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 13 16.397 -0.450 -5.216 1.00 0.00 H new ATOM 212 N LYS A 14 15.537 -3.225 -6.861 1.00 0.00 N ATOM 213 CA LYS A 14 14.862 -3.527 -8.119 1.00 0.00 C ATOM 214 C LYS A 14 13.715 -2.558 -8.350 1.00 0.00 C ATOM 215 O LYS A 14 13.408 -1.727 -7.494 1.00 0.00 O ATOM 216 CB LYS A 14 14.330 -4.960 -8.100 1.00 0.00 C ATOM 217 CG LYS A 14 15.503 -5.939 -8.153 1.00 0.00 C ATOM 218 CD LYS A 14 14.973 -7.373 -8.090 1.00 0.00 C ATOM 219 CE LYS A 14 16.145 -8.353 -8.133 1.00 0.00 C ATOM 220 NZ LYS A 14 15.631 -9.747 -7.998 1.00 0.00 N ATOM 0 H LYS A 14 14.911 -2.947 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 14 15.582 -3.423 -8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.742 -5.129 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.666 -5.124 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 14 16.073 -5.791 -9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 14 16.183 -5.754 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.397 -7.519 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.298 -7.560 -8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.690 -8.244 -9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.847 -8.133 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.428 -10.415 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.129 -9.846 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.977 -9.953 -8.780 1.00 0.00 H new ATOM 234 N LYS A 15 13.088 -2.666 -9.510 1.00 0.00 N ATOM 235 CA LYS A 15 11.979 -1.789 -9.849 1.00 0.00 C ATOM 236 C LYS A 15 10.878 -1.885 -8.793 1.00 0.00 C ATOM 237 O LYS A 15 11.118 -2.310 -7.662 1.00 0.00 O ATOM 238 CB LYS A 15 11.429 -2.172 -11.247 1.00 0.00 C ATOM 239 CG LYS A 15 11.354 -0.932 -12.156 1.00 0.00 C ATOM 240 CD LYS A 15 10.940 -1.340 -13.582 1.00 0.00 C ATOM 241 CE LYS A 15 9.412 -1.428 -13.676 1.00 0.00 C ATOM 242 NZ LYS A 15 8.835 -0.068 -13.489 1.00 0.00 N ATOM 0 H LYS A 15 13.326 -3.349 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 15 12.332 -0.758 -9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.071 -2.926 -11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.439 -2.616 -11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.636 -0.219 -11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.322 -0.431 -12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.316 -0.613 -14.302 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.385 -2.301 -13.838 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.117 -1.832 -14.644 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.027 -2.108 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.986 -0.130 -12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.537 0.547 -13.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.578 0.330 -14.415 1.00 0.00 H new ATOM 256 N LEU A 16 9.665 -1.493 -9.180 1.00 0.00 N ATOM 257 CA LEU A 16 8.525 -1.540 -8.270 1.00 0.00 C ATOM 258 C LEU A 16 8.552 -2.829 -7.461 1.00 0.00 C ATOM 259 O LEU A 16 8.370 -3.919 -8.004 1.00 0.00 O ATOM 260 CB LEU A 16 7.215 -1.463 -9.074 1.00 0.00 C ATOM 261 CG LEU A 16 6.880 -0.005 -9.388 1.00 0.00 C ATOM 262 CD1 LEU A 16 8.049 0.637 -10.132 1.00 0.00 C ATOM 263 CD2 LEU A 16 5.626 0.047 -10.264 1.00 0.00 C ATOM 0 H LEU A 16 9.448 -1.141 -10.113 1.00 0.00 H new ATOM 0 HA LEU A 16 8.583 -0.692 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.313 -2.030 -10.000 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.403 -1.917 -8.506 1.00 0.00 H new ATOM 0 HG LEU A 16 6.700 0.538 -8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.811 1.677 -10.356 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.943 0.596 -9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.229 0.097 -11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.383 1.085 -10.491 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.808 -0.494 -11.193 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.792 -0.413 -9.734 1.00 0.00 H new ATOM 275 N GLN A 17 8.782 -2.694 -6.158 1.00 0.00 N ATOM 276 CA GLN A 17 8.833 -3.850 -5.271 1.00 0.00 C ATOM 277 C GLN A 17 7.604 -3.868 -4.372 1.00 0.00 C ATOM 278 O GLN A 17 7.398 -2.961 -3.564 1.00 0.00 O ATOM 279 CB GLN A 17 10.100 -3.791 -4.412 1.00 0.00 C ATOM 280 CG GLN A 17 10.258 -5.099 -3.631 1.00 0.00 C ATOM 281 CD GLN A 17 10.560 -6.242 -4.594 1.00 0.00 C ATOM 282 OE1 GLN A 17 11.329 -6.073 -5.540 1.00 0.00 O ATOM 283 NE2 GLN A 17 9.993 -7.405 -4.411 1.00 0.00 N ATOM 0 H GLN A 17 8.935 -1.798 -5.695 1.00 0.00 H new ATOM 0 HA GLN A 17 8.850 -4.759 -5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.972 -3.627 -5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.044 -2.949 -3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.063 -5.003 -2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.346 -5.313 -3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.356 -7.544 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.188 -8.174 -5.052 1.00 0.00 H new ATOM 292 N LYS A 18 6.796 -4.909 -4.516 1.00 0.00 N ATOM 293 CA LYS A 18 5.591 -5.047 -3.710 1.00 0.00 C ATOM 294 C LYS A 18 5.945 -5.559 -2.319 1.00 0.00 C ATOM 295 O LYS A 18 6.758 -6.470 -2.173 1.00 0.00 O ATOM 296 CB LYS A 18 4.624 -6.020 -4.381 1.00 0.00 C ATOM 297 CG LYS A 18 3.327 -6.084 -3.575 1.00 0.00 C ATOM 298 CD LYS A 18 2.293 -6.927 -4.327 1.00 0.00 C ATOM 299 CE LYS A 18 2.738 -8.394 -4.378 1.00 0.00 C ATOM 300 NZ LYS A 18 1.564 -9.257 -4.694 1.00 0.00 N ATOM 0 H LYS A 18 6.952 -5.667 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 18 5.116 -4.070 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.416 -5.697 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.074 -7.011 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.519 -6.517 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.940 -5.078 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.324 -6.851 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.167 -6.543 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.513 -8.524 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.172 -8.687 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.329 -9.840 -3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.749 -8.659 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.794 -9.875 -5.498 1.00 0.00 H new ATOM 314 N SER A 19 5.327 -4.966 -1.300 1.00 0.00 N ATOM 315 CA SER A 19 5.578 -5.363 0.085 1.00 0.00 C ATOM 316 C SER A 19 4.269 -5.437 0.860 1.00 0.00 C ATOM 317 O SER A 19 3.302 -4.746 0.534 1.00 0.00 O ATOM 318 CB SER A 19 6.518 -4.356 0.751 1.00 0.00 C ATOM 319 OG SER A 19 7.839 -4.556 0.265 1.00 0.00 O ATOM 0 H SER A 19 4.650 -4.210 -1.406 1.00 0.00 H new ATOM 0 HA SER A 19 6.044 -6.348 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.190 -3.339 0.538 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.494 -4.479 1.834 1.00 0.00 H new ATOM 0 HG SER A 19 8.444 -3.912 0.688 1.00 0.00 H new ATOM 325 N TYR A 20 4.242 -6.277 1.894 1.00 0.00 N ATOM 326 CA TYR A 20 3.048 -6.435 2.722 1.00 0.00 C ATOM 327 C TYR A 20 3.234 -5.711 4.048 1.00 0.00 C ATOM 328 O TYR A 20 4.198 -5.958 4.772 1.00 0.00 O ATOM 329 CB TYR A 20 2.793 -7.919 2.985 1.00 0.00 C ATOM 330 CG TYR A 20 2.453 -8.609 1.687 1.00 0.00 C ATOM 331 CD1 TYR A 20 3.471 -9.144 0.890 1.00 0.00 C ATOM 332 CD2 TYR A 20 1.118 -8.708 1.278 1.00 0.00 C ATOM 333 CE1 TYR A 20 3.155 -9.781 -0.314 1.00 0.00 C ATOM 334 CE2 TYR A 20 0.801 -9.345 0.073 1.00 0.00 C ATOM 335 CZ TYR A 20 1.820 -9.881 -0.725 1.00 0.00 C ATOM 336 OH TYR A 20 1.508 -10.510 -1.912 1.00 0.00 O ATOM 0 H TYR A 20 5.032 -6.857 2.178 1.00 0.00 H new ATOM 0 HA TYR A 20 2.195 -6.007 2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.675 -8.377 3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.976 -8.038 3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.501 -9.065 1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.333 -8.293 1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.941 -10.196 -0.927 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.229 -9.423 -0.242 1.00 0.00 H new ATOM 0 HH TYR A 20 0.537 -10.493 -2.046 1.00 0.00 H new ATOM 346 N PHE A 21 2.303 -4.811 4.360 1.00 0.00 N ATOM 347 CA PHE A 21 2.358 -4.043 5.603 1.00 0.00 C ATOM 348 C PHE A 21 1.218 -4.453 6.527 1.00 0.00 C ATOM 349 O PHE A 21 0.044 -4.330 6.175 1.00 0.00 O ATOM 350 CB PHE A 21 2.251 -2.548 5.291 1.00 0.00 C ATOM 351 CG PHE A 21 3.396 -2.139 4.395 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.311 -2.351 3.015 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.545 -1.551 4.942 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.369 -1.976 2.182 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.605 -1.176 4.108 1.00 0.00 C ATOM 356 CZ PHE A 21 5.517 -1.388 2.728 1.00 0.00 C ATOM 0 H PHE A 21 1.501 -4.595 3.768 1.00 0.00 H new ATOM 0 HA PHE A 21 3.307 -4.245 6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.300 -2.334 4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.273 -1.970 6.215 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.427 -2.805 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.612 -1.387 6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.301 -2.140 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.490 -0.723 4.530 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.334 -1.098 2.084 1.00 0.00 H new ATOM 366 N ASP A 22 1.571 -4.936 7.715 1.00 0.00 N ATOM 367 CA ASP A 22 0.574 -5.356 8.695 1.00 0.00 C ATOM 368 C ASP A 22 0.183 -4.187 9.588 1.00 0.00 C ATOM 369 O ASP A 22 1.002 -3.680 10.355 1.00 0.00 O ATOM 370 CB ASP A 22 1.132 -6.489 9.556 1.00 0.00 C ATOM 371 CG ASP A 22 0.025 -7.073 10.426 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.130 -6.890 10.082 1.00 0.00 O ATOM 373 OD2 ASP A 22 0.349 -7.689 11.428 1.00 0.00 O ATOM 0 H ASP A 22 2.538 -5.046 8.022 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.309 -5.707 8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.555 -7.267 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.941 -6.116 10.184 1.00 0.00 H new ATOM 378 N VAL A 23 -1.075 -3.761 9.484 1.00 0.00 N ATOM 379 CA VAL A 23 -1.576 -2.646 10.286 1.00 0.00 C ATOM 380 C VAL A 23 -2.548 -3.152 11.342 1.00 0.00 C ATOM 381 O VAL A 23 -3.513 -3.853 11.034 1.00 0.00 O ATOM 382 CB VAL A 23 -2.285 -1.628 9.383 1.00 0.00 C ATOM 383 CG1 VAL A 23 -1.245 -0.792 8.635 1.00 0.00 C ATOM 384 CG2 VAL A 23 -3.162 -2.369 8.369 1.00 0.00 C ATOM 0 H VAL A 23 -1.765 -4.170 8.854 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.732 -2.165 10.780 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.905 -0.974 9.996 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.751 -0.070 7.994 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.618 -0.263 9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.624 -1.446 8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.666 -1.646 7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.539 -3.024 7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.906 -2.965 8.898 1.00 0.00 H new ATOM 394 N LEU A 24 -2.285 -2.791 12.593 1.00 0.00 N ATOM 395 CA LEU A 24 -3.141 -3.208 13.702 1.00 0.00 C ATOM 396 C LEU A 24 -3.967 -2.032 14.214 1.00 0.00 C ATOM 397 O LEU A 24 -5.093 -2.210 14.679 1.00 0.00 O ATOM 398 CB LEU A 24 -2.281 -3.758 14.845 1.00 0.00 C ATOM 399 CG LEU A 24 -3.161 -4.570 15.820 1.00 0.00 C ATOM 400 CD1 LEU A 24 -3.275 -6.029 15.350 1.00 0.00 C ATOM 401 CD2 LEU A 24 -2.544 -4.541 17.224 1.00 0.00 C ATOM 0 H LEU A 24 -1.490 -2.213 12.866 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.816 -3.985 13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.489 -4.390 14.444 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.797 -2.938 15.375 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.155 -4.122 15.844 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.898 -6.588 16.048 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.725 -6.057 14.358 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.282 -6.477 15.311 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.169 -5.115 17.908 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.546 -4.977 17.192 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.479 -3.510 17.571 1.00 0.00 H new ATOM 413 N GLY A 25 -3.399 -0.836 14.131 1.00 0.00 N ATOM 414 CA GLY A 25 -4.093 0.358 14.595 1.00 0.00 C ATOM 415 C GLY A 25 -5.127 0.810 13.575 1.00 0.00 C ATOM 416 O GLY A 25 -5.320 2.007 13.361 1.00 0.00 O ATOM 0 H GLY A 25 -2.468 -0.667 13.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.580 0.154 15.548 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.374 1.158 14.770 1.00 0.00 H new ATOM 420 N ILE A 26 -5.793 -0.154 12.947 1.00 0.00 N ATOM 421 CA ILE A 26 -6.811 0.162 11.949 1.00 0.00 C ATOM 422 C ILE A 26 -8.143 0.453 12.630 1.00 0.00 C ATOM 423 O ILE A 26 -8.629 -0.342 13.434 1.00 0.00 O ATOM 424 CB ILE A 26 -6.972 -1.013 10.977 1.00 0.00 C ATOM 425 CG1 ILE A 26 -7.941 -0.625 9.843 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.525 -2.232 11.729 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.372 0.545 9.021 1.00 0.00 C ATOM 0 H ILE A 26 -5.649 -1.151 13.108 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.496 1.046 11.395 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.000 -1.259 10.550 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.112 -1.484 9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.907 -0.346 10.263 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.639 -3.066 11.036 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.835 -2.513 12.525 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.495 -1.984 12.161 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.070 0.804 8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.225 1.408 9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.417 0.252 8.584 1.00 0.00 H new ATOM 439 N CYS A 27 -8.730 1.605 12.303 1.00 0.00 N ATOM 440 CA CYS A 27 -10.012 2.009 12.885 1.00 0.00 C ATOM 441 C CYS A 27 -11.089 2.033 11.815 1.00 0.00 C ATOM 442 O CYS A 27 -10.888 2.604 10.752 1.00 0.00 O ATOM 443 CB CYS A 27 -9.884 3.408 13.496 1.00 0.00 C ATOM 444 SG CYS A 27 -11.531 4.070 13.865 1.00 0.00 S ATOM 0 H CYS A 27 -8.340 2.274 11.640 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.286 1.291 13.658 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.287 3.364 14.407 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.362 4.070 12.805 1.00 0.00 H new ATOM 449 N CYS A 28 -12.236 1.428 12.107 1.00 0.00 N ATOM 450 CA CYS A 28 -13.352 1.410 11.160 1.00 0.00 C ATOM 451 C CYS A 28 -12.848 1.282 9.719 1.00 0.00 C ATOM 452 O CYS A 28 -11.744 0.793 9.481 1.00 0.00 O ATOM 453 CB CYS A 28 -14.163 2.700 11.320 1.00 0.00 C ATOM 454 SG CYS A 28 -13.282 4.073 10.525 1.00 0.00 S ATOM 0 H CYS A 28 -12.419 0.945 12.987 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.982 0.546 11.372 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.150 2.580 10.872 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.317 2.916 12.377 1.00 0.00 H new ATOM 459 N THR A 29 -13.657 1.743 8.763 1.00 0.00 N ATOM 460 CA THR A 29 -13.284 1.696 7.347 1.00 0.00 C ATOM 461 C THR A 29 -13.396 3.085 6.716 1.00 0.00 C ATOM 462 O THR A 29 -13.141 3.257 5.524 1.00 0.00 O ATOM 463 CB THR A 29 -14.201 0.724 6.609 1.00 0.00 C ATOM 464 OG1 THR A 29 -15.528 1.236 6.610 1.00 0.00 O ATOM 465 CG2 THR A 29 -14.176 -0.628 7.317 1.00 0.00 C ATOM 0 H THR A 29 -14.574 2.153 8.943 1.00 0.00 H new ATOM 0 HA THR A 29 -12.251 1.358 7.268 1.00 0.00 H new ATOM 0 HB THR A 29 -13.859 0.604 5.581 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.119 0.615 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.830 -1.325 6.793 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.158 -1.018 7.321 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.522 -0.508 8.344 1.00 0.00 H new ATOM 473 N SER A 30 -13.785 4.069 7.522 1.00 0.00 N ATOM 474 CA SER A 30 -13.938 5.440 7.035 1.00 0.00 C ATOM 475 C SER A 30 -12.576 6.102 6.862 1.00 0.00 C ATOM 476 O SER A 30 -12.481 7.228 6.368 1.00 0.00 O ATOM 477 CB SER A 30 -14.783 6.257 8.012 1.00 0.00 C ATOM 478 OG SER A 30 -14.061 6.432 9.225 1.00 0.00 O ATOM 0 H SER A 30 -14.000 3.945 8.511 1.00 0.00 H new ATOM 0 HA SER A 30 -14.440 5.404 6.068 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.027 7.226 7.577 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.727 5.749 8.207 1.00 0.00 H new ATOM 0 HG SER A 30 -13.633 5.587 9.476 1.00 0.00 H new ATOM 484 N GLU A 31 -11.530 5.401 7.295 1.00 0.00 N ATOM 485 CA GLU A 31 -10.164 5.919 7.210 1.00 0.00 C ATOM 486 C GLU A 31 -9.573 5.625 5.837 1.00 0.00 C ATOM 487 O GLU A 31 -8.424 5.969 5.555 1.00 0.00 O ATOM 488 CB GLU A 31 -9.273 5.300 8.306 1.00 0.00 C ATOM 489 CG GLU A 31 -10.123 4.915 9.515 1.00 0.00 C ATOM 490 CD GLU A 31 -10.804 6.142 10.109 1.00 0.00 C ATOM 491 OE1 GLU A 31 -11.407 6.887 9.353 1.00 0.00 O ATOM 492 OE2 GLU A 31 -10.718 6.314 11.313 1.00 0.00 O ATOM 0 H GLU A 31 -11.601 4.472 7.709 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.201 6.998 7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.761 4.420 7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.503 6.011 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.875 4.184 9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.496 4.440 10.270 1.00 0.00 H new ATOM 499 N VAL A 32 -10.372 5.006 4.974 1.00 0.00 N ATOM 500 CA VAL A 32 -9.915 4.701 3.624 1.00 0.00 C ATOM 501 C VAL A 32 -9.175 5.916 3.039 1.00 0.00 C ATOM 502 O VAL A 32 -8.009 5.803 2.653 1.00 0.00 O ATOM 503 CB VAL A 32 -11.120 4.316 2.729 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.811 4.596 1.246 1.00 0.00 C ATOM 505 CG2 VAL A 32 -11.444 2.830 2.903 1.00 0.00 C ATOM 0 H VAL A 32 -11.326 4.709 5.181 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.228 3.856 3.660 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.976 4.919 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.671 4.318 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.599 5.657 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.944 4.011 0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.292 2.566 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.578 2.233 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.693 2.631 3.946 1.00 0.00 H new ATOM 515 N PRO A 33 -9.815 7.068 2.971 1.00 0.00 N ATOM 516 CA PRO A 33 -9.177 8.302 2.415 1.00 0.00 C ATOM 517 C PRO A 33 -7.911 8.680 3.180 1.00 0.00 C ATOM 518 O PRO A 33 -6.935 9.145 2.593 1.00 0.00 O ATOM 519 CB PRO A 33 -10.273 9.381 2.561 1.00 0.00 C ATOM 520 CG PRO A 33 -11.198 8.852 3.604 1.00 0.00 C ATOM 521 CD PRO A 33 -11.200 7.343 3.402 1.00 0.00 C ATOM 0 HA PRO A 33 -8.850 8.173 1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.847 10.339 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.794 9.545 1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.856 9.116 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.200 9.267 3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.450 6.812 4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.926 7.037 2.649 1.00 0.00 H new ATOM 529 N ILE A 34 -7.941 8.482 4.491 1.00 0.00 N ATOM 530 CA ILE A 34 -6.792 8.807 5.325 1.00 0.00 C ATOM 531 C ILE A 34 -5.604 7.923 4.970 1.00 0.00 C ATOM 532 O ILE A 34 -4.473 8.396 4.871 1.00 0.00 O ATOM 533 CB ILE A 34 -7.149 8.632 6.808 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.173 9.700 7.215 1.00 0.00 C ATOM 535 CG2 ILE A 34 -5.886 8.778 7.665 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.698 9.412 8.627 1.00 0.00 C ATOM 0 H ILE A 34 -8.741 8.101 4.996 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.519 9.846 5.144 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.575 7.641 6.963 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.713 10.688 7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.001 9.711 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.144 8.653 8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.160 8.017 7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.455 9.767 7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.424 10.175 8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.176 8.432 8.645 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.868 9.424 9.333 1.00 0.00 H new ATOM 548 N ILE A 35 -5.865 6.634 4.792 1.00 0.00 N ATOM 549 CA ILE A 35 -4.805 5.692 4.464 1.00 0.00 C ATOM 550 C ILE A 35 -4.186 6.037 3.115 1.00 0.00 C ATOM 551 O ILE A 35 -2.967 6.031 2.964 1.00 0.00 O ATOM 552 CB ILE A 35 -5.372 4.269 4.421 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.800 3.847 5.830 1.00 0.00 C ATOM 554 CG2 ILE A 35 -4.300 3.302 3.909 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.632 2.564 5.744 1.00 0.00 C ATOM 0 H ILE A 35 -6.794 6.220 4.869 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.033 5.753 5.231 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.233 4.245 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.922 3.684 6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.382 4.641 6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.706 2.291 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.991 3.598 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.438 3.328 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.938 2.261 6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.517 2.744 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.034 1.772 5.292 1.00 0.00 H new ATOM 567 N GLU A 36 -5.033 6.335 2.138 1.00 0.00 N ATOM 568 CA GLU A 36 -4.555 6.674 0.804 1.00 0.00 C ATOM 569 C GLU A 36 -3.837 8.019 0.817 1.00 0.00 C ATOM 570 O GLU A 36 -2.891 8.237 0.060 1.00 0.00 O ATOM 571 CB GLU A 36 -5.732 6.731 -0.168 1.00 0.00 C ATOM 572 CG GLU A 36 -6.367 5.344 -0.280 1.00 0.00 C ATOM 573 CD GLU A 36 -7.581 5.399 -1.202 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.833 6.459 -1.751 1.00 0.00 O ATOM 575 OE2 GLU A 36 -8.237 4.381 -1.346 1.00 0.00 O ATOM 0 H GLU A 36 -6.048 6.349 2.243 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.852 5.905 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.470 7.454 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.393 7.068 -1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.638 4.632 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.665 4.991 0.707 1.00 0.00 H new ATOM 582 N ASN A 37 -4.300 8.918 1.677 1.00 0.00 N ATOM 583 CA ASN A 37 -3.704 10.243 1.779 1.00 0.00 C ATOM 584 C ASN A 37 -2.251 10.149 2.226 1.00 0.00 C ATOM 585 O ASN A 37 -1.396 10.891 1.741 1.00 0.00 O ATOM 586 CB ASN A 37 -4.488 11.097 2.781 1.00 0.00 C ATOM 587 CG ASN A 37 -3.853 12.478 2.902 1.00 0.00 C ATOM 588 OD1 ASN A 37 -3.324 13.007 1.924 1.00 0.00 O ATOM 589 ND2 ASN A 37 -3.874 13.099 4.051 1.00 0.00 N ATOM 0 H ASN A 37 -5.082 8.754 2.311 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.741 10.708 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.524 11.192 2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.502 10.608 3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.452 14.023 4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.313 12.660 4.860 1.00 0.00 H new ATOM 596 N ILE A 38 -1.974 9.246 3.158 1.00 0.00 N ATOM 597 CA ILE A 38 -0.617 9.089 3.665 1.00 0.00 C ATOM 598 C ILE A 38 0.323 8.647 2.547 1.00 0.00 C ATOM 599 O ILE A 38 1.415 9.192 2.386 1.00 0.00 O ATOM 600 CB ILE A 38 -0.607 8.044 4.791 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.402 8.571 6.008 1.00 0.00 C ATOM 602 CG2 ILE A 38 0.841 7.734 5.198 1.00 0.00 C ATOM 603 CD1 ILE A 38 -0.528 9.468 6.897 1.00 0.00 C ATOM 0 H ILE A 38 -2.662 8.618 3.574 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.273 10.048 4.052 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.079 7.128 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.270 9.132 5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.777 7.731 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.844 6.992 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.385 7.343 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.324 8.646 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.115 9.823 7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.326 8.898 7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.175 10.321 6.318 1.00 0.00 H new ATOM 615 N LEU A 39 -0.112 7.667 1.767 1.00 0.00 N ATOM 616 CA LEU A 39 0.695 7.176 0.658 1.00 0.00 C ATOM 617 C LEU A 39 0.858 8.261 -0.401 1.00 0.00 C ATOM 618 O LEU A 39 1.923 8.400 -1.003 1.00 0.00 O ATOM 619 CB LEU A 39 0.044 5.923 0.050 1.00 0.00 C ATOM 620 CG LEU A 39 0.473 4.679 0.837 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.152 4.860 2.321 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.279 3.466 0.295 1.00 0.00 C ATOM 0 H LEU A 39 -1.011 7.199 1.880 1.00 0.00 H new ATOM 0 HA LEU A 39 1.684 6.911 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.041 6.020 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.336 5.822 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 39 1.547 4.531 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.461 3.971 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.687 5.728 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.920 5.010 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.019 2.576 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.352 3.622 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.042 3.333 -0.761 1.00 0.00 H new ATOM 634 N LYS A 40 -0.206 9.018 -0.629 1.00 0.00 N ATOM 635 CA LYS A 40 -0.170 10.077 -1.628 1.00 0.00 C ATOM 636 C LYS A 40 0.941 11.071 -1.305 1.00 0.00 C ATOM 637 O LYS A 40 1.631 11.555 -2.201 1.00 0.00 O ATOM 638 CB LYS A 40 -1.516 10.805 -1.662 1.00 0.00 C ATOM 639 CG LYS A 40 -1.514 11.831 -2.798 1.00 0.00 C ATOM 640 CD LYS A 40 -2.876 12.519 -2.866 1.00 0.00 C ATOM 641 CE LYS A 40 -2.878 13.533 -4.011 1.00 0.00 C ATOM 642 NZ LYS A 40 -4.196 14.224 -4.062 1.00 0.00 N ATOM 0 H LYS A 40 -1.097 8.921 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 40 0.026 9.631 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.325 10.089 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.696 11.302 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.729 12.570 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.295 11.339 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.662 11.779 -3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.090 13.020 -1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.079 14.261 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.683 13.029 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.197 14.913 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.949 13.524 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.364 14.718 -3.162 1.00 0.00 H new ATOM 656 N SER A 41 1.114 11.363 -0.022 1.00 0.00 N ATOM 657 CA SER A 41 2.152 12.291 0.405 1.00 0.00 C ATOM 658 C SER A 41 3.532 11.759 0.034 1.00 0.00 C ATOM 659 O SER A 41 4.418 12.520 -0.355 1.00 0.00 O ATOM 660 CB SER A 41 2.069 12.511 1.916 1.00 0.00 C ATOM 661 OG SER A 41 3.062 13.450 2.307 1.00 0.00 O ATOM 0 H SER A 41 0.553 10.974 0.736 1.00 0.00 H new ATOM 0 HA SER A 41 1.996 13.242 -0.105 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.079 12.876 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.217 11.568 2.442 1.00 0.00 H new ATOM 0 HG SER A 41 3.012 13.595 3.275 1.00 0.00 H new ATOM 667 N LEU A 42 3.707 10.449 0.165 1.00 0.00 N ATOM 668 CA LEU A 42 4.983 9.821 -0.154 1.00 0.00 C ATOM 669 C LEU A 42 5.226 9.838 -1.658 1.00 0.00 C ATOM 670 O LEU A 42 4.296 9.701 -2.452 1.00 0.00 O ATOM 671 CB LEU A 42 4.992 8.376 0.348 1.00 0.00 C ATOM 672 CG LEU A 42 4.705 8.347 1.854 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.645 6.892 2.327 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.813 9.094 2.617 1.00 0.00 C ATOM 0 H LEU A 42 2.986 9.804 0.488 1.00 0.00 H new ATOM 0 HA LEU A 42 5.777 10.383 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.243 7.791 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.959 7.917 0.144 1.00 0.00 H new ATOM 0 HG LEU A 42 3.751 8.837 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.441 6.866 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.852 6.368 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.599 6.405 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.600 9.068 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.773 8.614 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.852 10.130 2.280 1.00 0.00 H new ATOM 686 N ASP A 43 6.490 10.011 -2.043 1.00 0.00 N ATOM 687 CA ASP A 43 6.865 10.044 -3.455 1.00 0.00 C ATOM 688 C ASP A 43 7.457 8.704 -3.876 1.00 0.00 C ATOM 689 O ASP A 43 8.129 8.037 -3.088 1.00 0.00 O ATOM 690 CB ASP A 43 7.888 11.156 -3.700 1.00 0.00 C ATOM 691 CG ASP A 43 9.166 10.873 -2.915 1.00 0.00 C ATOM 692 OD1 ASP A 43 9.153 9.960 -2.107 1.00 0.00 O ATOM 693 OD2 ASP A 43 10.140 11.576 -3.136 1.00 0.00 O ATOM 0 H ASP A 43 7.270 10.130 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 43 5.971 10.240 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.113 11.226 -4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.472 12.117 -3.398 1.00 0.00 H new ATOM 698 N GLY A 44 7.202 8.319 -5.123 1.00 0.00 N ATOM 699 CA GLY A 44 7.705 7.053 -5.657 1.00 0.00 C ATOM 700 C GLY A 44 6.590 6.016 -5.729 1.00 0.00 C ATOM 701 O GLY A 44 6.677 5.051 -6.490 1.00 0.00 O ATOM 0 H GLY A 44 6.650 8.865 -5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.124 7.213 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.513 6.682 -5.026 1.00 0.00 H new ATOM 705 N VAL A 45 5.536 6.221 -4.941 1.00 0.00 N ATOM 706 CA VAL A 45 4.412 5.292 -4.940 1.00 0.00 C ATOM 707 C VAL A 45 3.631 5.397 -6.245 1.00 0.00 C ATOM 708 O VAL A 45 3.289 6.491 -6.691 1.00 0.00 O ATOM 709 CB VAL A 45 3.482 5.595 -3.767 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.283 5.580 -2.464 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.855 6.977 -3.963 1.00 0.00 C ATOM 0 H VAL A 45 5.438 7.011 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 45 4.804 4.280 -4.841 1.00 0.00 H new ATOM 0 HB VAL A 45 2.697 4.840 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.620 5.796 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.734 4.597 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.067 6.336 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.190 7.197 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.642 7.730 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.286 6.990 -4.892 1.00 0.00 H new ATOM 721 N LYS A 46 3.357 4.249 -6.857 1.00 0.00 N ATOM 722 CA LYS A 46 2.619 4.214 -8.116 1.00 0.00 C ATOM 723 C LYS A 46 1.141 3.935 -7.870 1.00 0.00 C ATOM 724 O LYS A 46 0.270 4.641 -8.380 1.00 0.00 O ATOM 725 CB LYS A 46 3.201 3.121 -9.021 1.00 0.00 C ATOM 726 CG LYS A 46 4.624 3.521 -9.507 1.00 0.00 C ATOM 727 CD LYS A 46 4.674 3.620 -11.042 1.00 0.00 C ATOM 728 CE LYS A 46 3.966 4.898 -11.491 1.00 0.00 C ATOM 729 NZ LYS A 46 4.105 5.043 -12.965 1.00 0.00 N ATOM 0 H LYS A 46 3.634 3.333 -6.503 1.00 0.00 H new ATOM 0 HA LYS A 46 2.714 5.186 -8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.247 2.177 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.547 2.964 -9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.907 4.478 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.350 2.785 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.709 3.625 -11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.195 2.749 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.912 4.860 -11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.397 5.763 -10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.625 5.912 -13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.113 5.097 -13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.675 4.222 -13.437 1.00 0.00 H new ATOM 743 N GLU A 47 0.865 2.900 -7.087 1.00 0.00 N ATOM 744 CA GLU A 47 -0.512 2.535 -6.782 1.00 0.00 C ATOM 745 C GLU A 47 -0.578 1.734 -5.489 1.00 0.00 C ATOM 746 O GLU A 47 0.432 1.216 -5.012 1.00 0.00 O ATOM 747 CB GLU A 47 -1.101 1.712 -7.927 1.00 0.00 C ATOM 748 CG GLU A 47 -0.140 0.578 -8.288 1.00 0.00 C ATOM 749 CD GLU A 47 -0.734 -0.272 -9.405 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.947 -0.402 -9.444 1.00 0.00 O ATOM 751 OE2 GLU A 47 0.032 -0.782 -10.206 1.00 0.00 O ATOM 0 H GLU A 47 1.570 2.303 -6.655 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.092 3.450 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.069 1.304 -7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.272 2.348 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.819 0.989 -8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.051 -0.041 -7.411 1.00 0.00 H new ATOM 758 N TYR A 48 -1.777 1.642 -4.930 1.00 0.00 N ATOM 759 CA TYR A 48 -1.984 0.906 -3.689 1.00 0.00 C ATOM 760 C TYR A 48 -3.436 0.471 -3.551 1.00 0.00 C ATOM 761 O TYR A 48 -4.320 0.997 -4.226 1.00 0.00 O ATOM 762 CB TYR A 48 -1.572 1.773 -2.489 1.00 0.00 C ATOM 763 CG TYR A 48 -2.053 3.190 -2.706 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.423 3.486 -2.673 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.125 4.210 -2.962 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.861 4.798 -2.889 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.566 5.520 -3.181 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.934 5.814 -3.145 1.00 0.00 C ATOM 769 OH TYR A 48 -3.370 7.105 -3.361 1.00 0.00 O ATOM 0 H TYR A 48 -2.620 2.067 -5.315 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.362 0.011 -3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.998 1.369 -1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.489 1.759 -2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.140 2.702 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.069 3.984 -2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.916 5.026 -2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.850 6.305 -3.378 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.599 7.688 -3.523 1.00 0.00 H new ATOM 779 N SER A 49 -3.673 -0.490 -2.664 1.00 0.00 N ATOM 780 CA SER A 49 -5.023 -0.994 -2.428 1.00 0.00 C ATOM 781 C SER A 49 -5.205 -1.341 -0.954 1.00 0.00 C ATOM 782 O SER A 49 -4.328 -1.940 -0.334 1.00 0.00 O ATOM 783 CB SER A 49 -5.271 -2.239 -3.284 1.00 0.00 C ATOM 784 OG SER A 49 -6.671 -2.434 -3.429 1.00 0.00 O ATOM 0 H SER A 49 -2.951 -0.935 -2.098 1.00 0.00 H new ATOM 0 HA SER A 49 -5.739 -0.219 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.805 -2.121 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.816 -3.113 -2.817 1.00 0.00 H new ATOM 0 HG SER A 49 -6.835 -3.229 -3.978 1.00 0.00 H new ATOM 790 N VAL A 50 -6.359 -0.968 -0.397 1.00 0.00 N ATOM 791 CA VAL A 50 -6.658 -1.252 1.004 1.00 0.00 C ATOM 792 C VAL A 50 -7.776 -2.277 1.100 1.00 0.00 C ATOM 793 O VAL A 50 -8.882 -2.051 0.608 1.00 0.00 O ATOM 794 CB VAL A 50 -7.090 0.032 1.711 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.344 -0.260 3.191 1.00 0.00 C ATOM 796 CG2 VAL A 50 -5.985 1.079 1.576 1.00 0.00 C ATOM 0 H VAL A 50 -7.098 -0.471 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.762 -1.649 1.481 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.006 0.409 1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.652 0.656 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.131 -1.008 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.430 -0.637 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.290 1.997 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.069 0.702 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.807 1.286 0.521 1.00 0.00 H new ATOM 806 N ILE A 51 -7.480 -3.405 1.737 1.00 0.00 N ATOM 807 CA ILE A 51 -8.466 -4.467 1.900 1.00 0.00 C ATOM 808 C ILE A 51 -8.889 -4.564 3.362 1.00 0.00 C ATOM 809 O ILE A 51 -8.098 -4.950 4.226 1.00 0.00 O ATOM 810 CB ILE A 51 -7.863 -5.804 1.449 1.00 0.00 C ATOM 811 CG1 ILE A 51 -7.343 -5.677 0.016 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.938 -6.892 1.482 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.535 -6.926 -0.349 1.00 0.00 C ATOM 0 H ILE A 51 -6.568 -3.607 2.148 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.340 -4.239 1.290 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.046 -6.067 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.177 -5.556 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.720 -4.788 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.506 -7.840 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.322 -6.993 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.753 -6.619 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.165 -6.834 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.692 -7.027 0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.172 -7.807 -0.272 1.00 0.00 H new ATOM 825 N VAL A 52 -10.149 -4.237 3.625 1.00 0.00 N ATOM 826 CA VAL A 52 -10.696 -4.313 4.971 1.00 0.00 C ATOM 827 C VAL A 52 -10.936 -5.775 5.381 1.00 0.00 C ATOM 828 O VAL A 52 -10.608 -6.164 6.504 1.00 0.00 O ATOM 829 CB VAL A 52 -12.023 -3.531 5.050 1.00 0.00 C ATOM 830 CG1 VAL A 52 -12.818 -3.948 6.298 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.737 -2.032 5.098 1.00 0.00 C ATOM 0 H VAL A 52 -10.812 -3.916 2.920 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.973 -3.871 5.656 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.616 -3.759 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.752 -3.387 6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.037 -5.015 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.229 -3.738 7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.677 -1.484 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -11.132 -1.805 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.197 -1.736 4.199 1.00 0.00 H new ATOM 841 N PRO A 53 -11.526 -6.584 4.519 1.00 0.00 N ATOM 842 CA PRO A 53 -11.835 -8.013 4.850 1.00 0.00 C ATOM 843 C PRO A 53 -10.578 -8.853 5.058 1.00 0.00 C ATOM 844 O PRO A 53 -10.639 -9.958 5.594 1.00 0.00 O ATOM 845 CB PRO A 53 -12.655 -8.505 3.641 1.00 0.00 C ATOM 846 CG PRO A 53 -12.270 -7.605 2.513 1.00 0.00 C ATOM 847 CD PRO A 53 -11.974 -6.249 3.143 1.00 0.00 C ATOM 0 HA PRO A 53 -12.375 -8.104 5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.429 -9.546 3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.725 -8.449 3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.397 -7.990 1.987 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.075 -7.529 1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.202 -5.712 2.591 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.859 -5.612 3.155 1.00 0.00 H new ATOM 855 N SER A 54 -9.439 -8.322 4.623 1.00 0.00 N ATOM 856 CA SER A 54 -8.162 -9.025 4.753 1.00 0.00 C ATOM 857 C SER A 54 -7.230 -8.273 5.696 1.00 0.00 C ATOM 858 O SER A 54 -6.116 -8.722 5.967 1.00 0.00 O ATOM 859 CB SER A 54 -7.510 -9.158 3.379 1.00 0.00 C ATOM 860 OG SER A 54 -6.467 -10.119 3.448 1.00 0.00 O ATOM 0 H SER A 54 -9.372 -7.407 4.177 1.00 0.00 H new ATOM 0 HA SER A 54 -8.348 -10.016 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.251 -9.461 2.639 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.113 -8.195 3.057 1.00 0.00 H new ATOM 0 HG SER A 54 -6.070 -10.107 4.344 1.00 0.00 H new ATOM 866 N ARG A 55 -7.688 -7.129 6.194 1.00 0.00 N ATOM 867 CA ARG A 55 -6.879 -6.329 7.109 1.00 0.00 C ATOM 868 C ARG A 55 -5.437 -6.237 6.619 1.00 0.00 C ATOM 869 O ARG A 55 -4.510 -6.083 7.415 1.00 0.00 O ATOM 870 CB ARG A 55 -6.898 -6.954 8.502 1.00 0.00 C ATOM 871 CG ARG A 55 -8.273 -6.752 9.136 1.00 0.00 C ATOM 872 CD ARG A 55 -8.311 -7.440 10.500 1.00 0.00 C ATOM 873 NE ARG A 55 -9.603 -7.209 11.139 1.00 0.00 N ATOM 874 CZ ARG A 55 -10.650 -7.985 10.877 1.00 0.00 C ATOM 875 NH1 ARG A 55 -10.536 -8.969 10.027 1.00 0.00 N ATOM 876 NH2 ARG A 55 -11.793 -7.760 11.466 1.00 0.00 N ATOM 0 H ARG A 55 -8.606 -6.737 5.983 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.303 -5.325 7.149 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.669 -8.018 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.128 -6.500 9.126 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.481 -5.688 9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.048 -7.162 8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.140 -8.510 10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.510 -7.057 11.132 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.704 -6.438 11.799 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.644 -9.142 9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.339 -9.565 9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.883 -6.989 12.127 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.596 -8.356 11.265 1.00 0.00 H new ATOM 890 N THR A 56 -5.257 -6.339 5.304 1.00 0.00 N ATOM 891 CA THR A 56 -3.926 -6.272 4.701 1.00 0.00 C ATOM 892 C THR A 56 -3.852 -5.104 3.727 1.00 0.00 C ATOM 893 O THR A 56 -4.746 -4.910 2.904 1.00 0.00 O ATOM 894 CB THR A 56 -3.621 -7.571 3.955 1.00 0.00 C ATOM 895 OG1 THR A 56 -3.692 -8.663 4.860 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.219 -7.495 3.350 1.00 0.00 C ATOM 0 H THR A 56 -6.016 -6.468 4.635 1.00 0.00 H new ATOM 0 HA THR A 56 -3.192 -6.130 5.494 1.00 0.00 H new ATOM 0 HB THR A 56 -4.350 -7.714 3.158 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.626 -8.818 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.002 -8.421 2.818 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.168 -6.657 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.487 -7.353 4.145 1.00 0.00 H new ATOM 904 N VAL A 57 -2.775 -4.326 3.826 1.00 0.00 N ATOM 905 CA VAL A 57 -2.582 -3.170 2.952 1.00 0.00 C ATOM 906 C VAL A 57 -1.457 -3.457 1.966 1.00 0.00 C ATOM 907 O VAL A 57 -0.356 -3.843 2.358 1.00 0.00 O ATOM 908 CB VAL A 57 -2.225 -1.937 3.791 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.825 -0.778 2.871 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.437 -1.525 4.627 1.00 0.00 C ATOM 0 H VAL A 57 -2.025 -4.475 4.501 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.505 -2.978 2.405 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.389 -2.179 4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.573 0.095 3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.961 -1.069 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.657 -0.534 2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.186 -0.649 5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.271 -1.287 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.720 -2.345 5.287 1.00 0.00 H new ATOM 920 N ILE A 58 -1.745 -3.259 0.680 1.00 0.00 N ATOM 921 CA ILE A 58 -0.757 -3.492 -0.372 1.00 0.00 C ATOM 922 C ILE A 58 -0.436 -2.190 -1.088 1.00 0.00 C ATOM 923 O ILE A 58 -1.335 -1.467 -1.515 1.00 0.00 O ATOM 924 CB ILE A 58 -1.302 -4.497 -1.382 1.00 0.00 C ATOM 925 CG1 ILE A 58 -1.630 -5.806 -0.664 1.00 0.00 C ATOM 926 CG2 ILE A 58 -0.240 -4.756 -2.455 1.00 0.00 C ATOM 927 CD1 ILE A 58 -2.385 -6.729 -1.618 1.00 0.00 C ATOM 0 H ILE A 58 -2.653 -2.938 0.342 1.00 0.00 H new ATOM 0 HA ILE A 58 0.151 -3.886 0.085 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.205 -4.101 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.713 -6.287 -0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.233 -5.607 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.623 -5.474 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.001 -3.821 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.659 -5.157 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.621 -7.664 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.309 -6.246 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.765 -6.937 -2.490 1.00 0.00 H new ATOM 939 N VAL A 59 0.855 -1.900 -1.220 1.00 0.00 N ATOM 940 CA VAL A 59 1.305 -0.682 -1.892 1.00 0.00 C ATOM 941 C VAL A 59 2.481 -0.987 -2.810 1.00 0.00 C ATOM 942 O VAL A 59 3.441 -1.643 -2.412 1.00 0.00 O ATOM 943 CB VAL A 59 1.710 0.376 -0.857 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.683 -0.239 0.143 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.381 1.568 -1.553 1.00 0.00 C ATOM 0 H VAL A 59 1.609 -2.491 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 59 0.482 -0.294 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 59 0.817 0.724 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.971 0.512 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.204 -1.077 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.570 -0.592 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.664 2.312 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.271 1.227 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.685 2.013 -2.264 1.00 0.00 H new ATOM 955 N VAL A 60 2.400 -0.488 -4.042 1.00 0.00 N ATOM 956 CA VAL A 60 3.466 -0.690 -5.020 1.00 0.00 C ATOM 957 C VAL A 60 4.287 0.585 -5.163 1.00 0.00 C ATOM 958 O VAL A 60 3.753 1.648 -5.478 1.00 0.00 O ATOM 959 CB VAL A 60 2.867 -1.070 -6.374 1.00 0.00 C ATOM 960 CG1 VAL A 60 3.989 -1.495 -7.323 1.00 0.00 C ATOM 961 CG2 VAL A 60 1.887 -2.231 -6.190 1.00 0.00 C ATOM 0 H VAL A 60 1.610 0.057 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 60 4.113 -1.497 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 60 2.340 -0.213 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.565 -1.767 -8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.688 -0.669 -7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.515 -2.353 -6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.459 -2.503 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.414 -3.089 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.089 -1.929 -5.512 1.00 0.00 H new ATOM 971 N HIS A 61 5.588 0.469 -4.925 1.00 0.00 N ATOM 972 CA HIS A 61 6.485 1.617 -5.021 1.00 0.00 C ATOM 973 C HIS A 61 7.890 1.159 -5.395 1.00 0.00 C ATOM 974 O HIS A 61 8.227 -0.017 -5.258 1.00 0.00 O ATOM 975 CB HIS A 61 6.532 2.353 -3.683 1.00 0.00 C ATOM 976 CG HIS A 61 7.125 1.455 -2.633 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.432 1.595 -2.193 1.00 0.00 N ATOM 978 CD2 HIS A 61 6.600 0.409 -1.918 1.00 0.00 C ATOM 979 CE1 HIS A 61 8.645 0.658 -1.254 1.00 0.00 C ATOM 980 NE2 HIS A 61 7.560 -0.093 -1.047 1.00 0.00 N ATOM 0 H HIS A 61 6.045 -0.405 -4.665 1.00 0.00 H new ATOM 0 HA HIS A 61 6.110 2.288 -5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.127 3.261 -3.777 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.528 2.659 -3.389 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.593 0.032 -2.017 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.580 0.528 -0.730 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.458 -0.868 -0.391 1.00 0.00 H new ATOM 989 N ASP A 62 8.708 2.097 -5.863 1.00 0.00 N ATOM 990 CA ASP A 62 10.080 1.777 -6.249 1.00 0.00 C ATOM 991 C ASP A 62 10.990 1.840 -5.028 1.00 0.00 C ATOM 992 O ASP A 62 11.193 2.907 -4.447 1.00 0.00 O ATOM 993 CB ASP A 62 10.569 2.767 -7.310 1.00 0.00 C ATOM 994 CG ASP A 62 11.808 2.220 -8.012 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.450 1.349 -7.448 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.097 2.680 -9.105 1.00 0.00 O ATOM 0 H ASP A 62 8.449 3.076 -5.984 1.00 0.00 H new ATOM 0 HA ASP A 62 10.105 0.769 -6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.780 2.949 -8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.799 3.725 -6.845 1.00 0.00 H new ATOM 1001 N SER A 63 11.531 0.691 -4.645 1.00 0.00 N ATOM 1002 CA SER A 63 12.406 0.624 -3.486 1.00 0.00 C ATOM 1003 C SER A 63 13.511 1.667 -3.602 1.00 0.00 C ATOM 1004 O SER A 63 13.981 2.198 -2.596 1.00 0.00 O ATOM 1005 CB SER A 63 13.027 -0.768 -3.383 1.00 0.00 C ATOM 1006 OG SER A 63 13.896 -0.979 -4.489 1.00 0.00 O ATOM 0 H SER A 63 11.380 -0.200 -5.117 1.00 0.00 H new ATOM 0 HA SER A 63 11.818 0.825 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.580 -0.864 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.245 -1.527 -3.370 1.00 0.00 H new ATOM 0 HG SER A 63 13.368 -1.218 -5.279 1.00 0.00 H new ATOM 1012 N LEU A 64 13.921 1.958 -4.830 1.00 0.00 N ATOM 1013 CA LEU A 64 14.973 2.945 -5.048 1.00 0.00 C ATOM 1014 C LEU A 64 14.505 4.339 -4.642 1.00 0.00 C ATOM 1015 O LEU A 64 15.166 5.024 -3.863 1.00 0.00 O ATOM 1016 CB LEU A 64 15.381 2.953 -6.527 1.00 0.00 C ATOM 1017 CG LEU A 64 16.438 4.043 -6.788 1.00 0.00 C ATOM 1018 CD1 LEU A 64 17.655 3.828 -5.875 1.00 0.00 C ATOM 1019 CD2 LEU A 64 16.870 3.984 -8.258 1.00 0.00 C ATOM 0 H LEU A 64 13.549 1.533 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 64 15.830 2.672 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.779 1.977 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.505 3.130 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 64 16.010 5.022 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.396 4.604 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.341 3.877 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 64 18.093 2.850 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.618 4.753 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 64 17.295 3.004 -8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.004 4.153 -8.899 1.00 0.00 H new ATOM 1031 N LEU A 65 13.369 4.761 -5.192 1.00 0.00 N ATOM 1032 CA LEU A 65 12.837 6.087 -4.897 1.00 0.00 C ATOM 1033 C LEU A 65 12.428 6.187 -3.436 1.00 0.00 C ATOM 1034 O LEU A 65 12.707 7.183 -2.767 1.00 0.00 O ATOM 1035 CB LEU A 65 11.623 6.368 -5.784 1.00 0.00 C ATOM 1036 CG LEU A 65 12.044 6.332 -7.264 1.00 0.00 C ATOM 1037 CD1 LEU A 65 10.802 6.486 -8.149 1.00 0.00 C ATOM 1038 CD2 LEU A 65 13.046 7.464 -7.566 1.00 0.00 C ATOM 0 H LEU A 65 12.804 4.209 -5.838 1.00 0.00 H new ATOM 0 HA LEU A 65 13.616 6.823 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.846 5.627 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.199 7.342 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 65 12.527 5.377 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.097 6.461 -9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.108 5.670 -7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.316 7.437 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.334 7.425 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.582 8.427 -7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.932 7.342 -6.942 1.00 0.00 H new ATOM 1050 N ILE A 66 11.764 5.146 -2.946 1.00 0.00 N ATOM 1051 CA ILE A 66 11.312 5.118 -1.557 1.00 0.00 C ATOM 1052 C ILE A 66 11.324 3.694 -1.018 1.00 0.00 C ATOM 1053 O ILE A 66 10.878 2.764 -1.686 1.00 0.00 O ATOM 1054 CB ILE A 66 9.902 5.696 -1.457 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.471 5.723 0.009 1.00 0.00 C ATOM 1056 CG2 ILE A 66 8.936 4.826 -2.260 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.194 6.554 0.151 1.00 0.00 C ATOM 0 H ILE A 66 11.527 4.314 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 66 11.994 5.723 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 66 9.892 6.709 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.299 4.708 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.264 6.148 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.930 5.239 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.247 4.806 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.942 3.812 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.887 6.573 1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.382 7.572 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.402 6.110 -0.452 1.00 0.00 H new ATOM 1069 N SER A 67 11.838 3.534 0.198 1.00 0.00 N ATOM 1070 CA SER A 67 11.907 2.215 0.826 1.00 0.00 C ATOM 1071 C SER A 67 10.612 1.917 1.590 1.00 0.00 C ATOM 1072 O SER A 67 9.848 2.826 1.913 1.00 0.00 O ATOM 1073 CB SER A 67 13.120 2.154 1.777 1.00 0.00 C ATOM 1074 OG SER A 67 14.067 1.228 1.258 1.00 0.00 O ATOM 0 H SER A 67 12.211 4.294 0.766 1.00 0.00 H new ATOM 0 HA SER A 67 12.027 1.459 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.572 3.141 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.802 1.849 2.774 1.00 0.00 H new ATOM 0 HG SER A 67 14.843 1.184 1.855 1.00 0.00 H new ATOM 1080 N PRO A 68 10.365 0.666 1.887 1.00 0.00 N ATOM 1081 CA PRO A 68 9.146 0.242 2.642 1.00 0.00 C ATOM 1082 C PRO A 68 9.163 0.761 4.082 1.00 0.00 C ATOM 1083 O PRO A 68 8.117 0.932 4.705 1.00 0.00 O ATOM 1084 CB PRO A 68 9.204 -1.298 2.598 1.00 0.00 C ATOM 1085 CG PRO A 68 10.646 -1.628 2.368 1.00 0.00 C ATOM 1086 CD PRO A 68 11.221 -0.482 1.538 1.00 0.00 C ATOM 0 HA PRO A 68 8.229 0.642 2.210 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.844 -1.733 3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.577 -1.693 1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.178 -1.728 3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.749 -2.578 1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.265 -0.293 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.181 -0.701 0.471 1.00 0.00 H new ATOM 1094 N PHE A 69 10.357 1.010 4.603 1.00 0.00 N ATOM 1095 CA PHE A 69 10.492 1.503 5.968 1.00 0.00 C ATOM 1096 C PHE A 69 9.848 2.878 6.112 1.00 0.00 C ATOM 1097 O PHE A 69 9.248 3.187 7.141 1.00 0.00 O ATOM 1098 CB PHE A 69 11.970 1.582 6.354 1.00 0.00 C ATOM 1099 CG PHE A 69 12.533 0.185 6.482 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.419 -0.507 7.694 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.173 -0.415 5.390 1.00 0.00 C ATOM 1102 CE1 PHE A 69 12.941 -1.801 7.813 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.696 -1.709 5.511 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.580 -2.401 6.722 1.00 0.00 C ATOM 0 H PHE A 69 11.239 0.880 4.107 1.00 0.00 H new ATOM 0 HA PHE A 69 9.982 0.808 6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.524 2.141 5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.083 2.119 7.296 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.929 -0.043 8.537 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.263 0.119 4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.850 -2.336 8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.189 -2.173 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.984 -3.398 6.815 1.00 0.00 H new ATOM 1114 N GLN A 70 9.982 3.697 5.078 1.00 0.00 N ATOM 1115 CA GLN A 70 9.414 5.038 5.099 1.00 0.00 C ATOM 1116 C GLN A 70 7.891 4.980 5.123 1.00 0.00 C ATOM 1117 O GLN A 70 7.243 5.744 5.837 1.00 0.00 O ATOM 1118 CB GLN A 70 9.880 5.819 3.869 1.00 0.00 C ATOM 1119 CG GLN A 70 9.358 7.251 3.951 1.00 0.00 C ATOM 1120 CD GLN A 70 9.976 8.099 2.844 1.00 0.00 C ATOM 1121 OE1 GLN A 70 10.974 7.702 2.240 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.447 9.252 2.542 1.00 0.00 N ATOM 0 H GLN A 70 10.476 3.458 4.218 1.00 0.00 H new ATOM 0 HA GLN A 70 9.757 5.542 6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.969 5.819 3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.517 5.339 2.960 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.272 7.256 3.860 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.598 7.679 4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.621 9.581 3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.859 9.825 1.806 1.00 0.00 H new ATOM 1131 N ILE A 71 7.326 4.072 4.334 1.00 0.00 N ATOM 1132 CA ILE A 71 5.876 3.928 4.272 1.00 0.00 C ATOM 1133 C ILE A 71 5.325 3.495 5.628 1.00 0.00 C ATOM 1134 O ILE A 71 4.318 4.022 6.096 1.00 0.00 O ATOM 1135 CB ILE A 71 5.499 2.892 3.208 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.858 3.434 1.820 1.00 0.00 C ATOM 1137 CG2 ILE A 71 3.993 2.613 3.269 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.741 2.313 0.785 1.00 0.00 C ATOM 0 H ILE A 71 7.844 3.430 3.734 1.00 0.00 H new ATOM 0 HA ILE A 71 5.442 4.892 4.007 1.00 0.00 H new ATOM 0 HB ILE A 71 6.046 1.968 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.193 4.257 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.872 3.833 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.729 1.876 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.734 2.228 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.444 3.536 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.997 2.700 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.424 1.504 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.719 1.935 0.772 1.00 0.00 H new ATOM 1150 N ALA A 72 5.992 2.530 6.251 1.00 0.00 N ATOM 1151 CA ALA A 72 5.556 2.034 7.548 1.00 0.00 C ATOM 1152 C ALA A 72 5.644 3.136 8.598 1.00 0.00 C ATOM 1153 O ALA A 72 4.768 3.269 9.451 1.00 0.00 O ATOM 1154 CB ALA A 72 6.426 0.852 7.974 1.00 0.00 C ATOM 0 H ALA A 72 6.829 2.080 5.882 1.00 0.00 H new ATOM 0 HA ALA A 72 4.519 1.709 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.093 0.487 8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.341 0.053 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.466 1.172 8.043 1.00 0.00 H new ATOM 1160 N LYS A 73 6.708 3.924 8.526 1.00 0.00 N ATOM 1161 CA LYS A 73 6.904 5.014 9.469 1.00 0.00 C ATOM 1162 C LYS A 73 5.809 6.063 9.308 1.00 0.00 C ATOM 1163 O LYS A 73 5.348 6.647 10.289 1.00 0.00 O ATOM 1164 CB LYS A 73 8.269 5.659 9.241 1.00 0.00 C ATOM 1165 CG LYS A 73 8.536 6.695 10.338 1.00 0.00 C ATOM 1166 CD LYS A 73 9.909 7.347 10.124 1.00 0.00 C ATOM 1167 CE LYS A 73 11.035 6.377 10.510 1.00 0.00 C ATOM 1168 NZ LYS A 73 12.317 7.128 10.621 1.00 0.00 N ATOM 0 H LYS A 73 7.445 3.829 7.827 1.00 0.00 H new ATOM 0 HA LYS A 73 6.858 4.610 10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.049 4.897 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.298 6.136 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.757 7.457 10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.500 6.217 11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.018 7.643 9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.983 8.255 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.802 5.890 11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.125 5.590 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.081 6.473 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.539 7.573 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.226 7.863 11.351 1.00 0.00 H new ATOM 1182 N ALA A 74 5.402 6.301 8.066 1.00 0.00 N ATOM 1183 CA ALA A 74 4.367 7.289 7.789 1.00 0.00 C ATOM 1184 C ALA A 74 3.055 6.892 8.457 1.00 0.00 C ATOM 1185 O ALA A 74 2.342 7.735 9.000 1.00 0.00 O ATOM 1186 CB ALA A 74 4.158 7.410 6.276 1.00 0.00 C ATOM 0 H ALA A 74 5.770 5.827 7.241 1.00 0.00 H new ATOM 0 HA ALA A 74 4.688 8.250 8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.383 8.150 6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.090 7.722 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.852 6.445 5.873 1.00 0.00 H new ATOM 1192 N LEU A 75 2.748 5.602 8.417 1.00 0.00 N ATOM 1193 CA LEU A 75 1.521 5.094 9.023 1.00 0.00 C ATOM 1194 C LEU A 75 1.541 5.311 10.532 1.00 0.00 C ATOM 1195 O LEU A 75 0.519 5.636 11.136 1.00 0.00 O ATOM 1196 CB LEU A 75 1.365 3.605 8.715 1.00 0.00 C ATOM 1197 CG LEU A 75 1.099 3.413 7.212 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.202 1.923 6.869 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.299 3.945 6.827 1.00 0.00 C ATOM 0 H LEU A 75 3.328 4.890 7.974 1.00 0.00 H new ATOM 0 HA LEU A 75 0.675 5.638 8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.267 3.067 9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.543 3.187 9.296 1.00 0.00 H new ATOM 0 HG LEU A 75 1.843 3.976 6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.014 1.781 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.201 1.562 7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.464 1.365 7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.463 3.798 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.061 3.405 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.361 5.008 7.060 1.00 0.00 H new ATOM 1211 N ASN A 76 2.708 5.121 11.133 1.00 0.00 N ATOM 1212 CA ASN A 76 2.851 5.292 12.573 1.00 0.00 C ATOM 1213 C ASN A 76 2.532 6.728 12.976 1.00 0.00 C ATOM 1214 O ASN A 76 1.914 6.968 14.013 1.00 0.00 O ATOM 1215 CB ASN A 76 4.277 4.949 12.998 1.00 0.00 C ATOM 1216 CG ASN A 76 4.517 3.449 12.875 1.00 0.00 C ATOM 1217 OD1 ASN A 76 4.088 2.679 13.733 1.00 0.00 O ATOM 1218 ND2 ASN A 76 5.180 2.983 11.851 1.00 0.00 N ATOM 0 H ASN A 76 3.564 4.850 10.650 1.00 0.00 H new ATOM 0 HA ASN A 76 2.151 4.622 13.071 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.990 5.491 12.376 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.444 5.268 14.027 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.342 1.980 11.762 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.535 3.622 11.140 1.00 0.00 H new ATOM 1225 N GLU A 77 2.960 7.679 12.153 1.00 0.00 N ATOM 1226 CA GLU A 77 2.715 9.091 12.440 1.00 0.00 C ATOM 1227 C GLU A 77 1.219 9.361 12.561 1.00 0.00 C ATOM 1228 O GLU A 77 0.783 10.107 13.437 1.00 0.00 O ATOM 1229 CB GLU A 77 3.302 9.957 11.322 1.00 0.00 C ATOM 1230 CG GLU A 77 4.826 9.821 11.309 1.00 0.00 C ATOM 1231 CD GLU A 77 5.419 10.442 12.571 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.740 11.249 13.185 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.542 10.101 12.905 1.00 0.00 O ATOM 0 H GLU A 77 3.474 7.503 11.290 1.00 0.00 H new ATOM 0 HA GLU A 77 3.195 9.341 13.386 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.892 9.652 10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.022 11.000 11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.104 8.769 11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.235 10.312 10.426 1.00 0.00 H new ATOM 1240 N ALA A 78 0.437 8.749 11.678 1.00 0.00 N ATOM 1241 CA ALA A 78 -1.012 8.930 11.698 1.00 0.00 C ATOM 1242 C ALA A 78 -1.647 8.042 12.761 1.00 0.00 C ATOM 1243 O ALA A 78 -2.724 7.483 12.556 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.599 8.590 10.329 1.00 0.00 C ATOM 0 H ALA A 78 0.778 8.128 10.944 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.226 9.972 11.936 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.680 8.728 10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.166 9.246 9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.370 7.553 10.082 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.971 7.915 13.897 1.00 0.00 N ATOM 1251 CA ARG A 79 -1.474 7.088 14.989 1.00 0.00 C ATOM 1252 C ARG A 79 -1.861 5.703 14.480 1.00 0.00 C ATOM 1253 O ARG A 79 -2.597 4.974 15.143 1.00 0.00 O ATOM 1254 CB ARG A 79 -2.699 7.750 15.625 1.00 0.00 C ATOM 1255 CG ARG A 79 -2.282 9.067 16.277 1.00 0.00 C ATOM 1256 CD ARG A 79 -3.494 9.710 16.949 1.00 0.00 C ATOM 1257 NE ARG A 79 -4.487 10.087 15.948 1.00 0.00 N ATOM 1258 CZ ARG A 79 -4.390 11.229 15.277 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -3.390 12.036 15.503 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -5.293 11.544 14.388 1.00 0.00 N ATOM 0 H ARG A 79 -0.078 8.371 14.086 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.683 6.986 15.732 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.462 7.932 14.868 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.140 7.086 16.369 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.497 8.888 17.012 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.869 9.741 15.527 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.934 9.014 17.664 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.182 10.590 17.511 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.270 9.461 15.760 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.682 11.790 16.195 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.316 12.913 14.987 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.074 10.913 14.208 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.218 12.421 13.873 1.00 0.00 H new ATOM 1274 N LEU A 80 -1.355 5.341 13.298 1.00 0.00 N ATOM 1275 CA LEU A 80 -1.646 4.033 12.703 1.00 0.00 C ATOM 1276 C LEU A 80 -0.388 3.172 12.692 1.00 0.00 C ATOM 1277 O LEU A 80 0.408 3.217 11.752 1.00 0.00 O ATOM 1278 CB LEU A 80 -2.186 4.218 11.259 1.00 0.00 C ATOM 1279 CG LEU A 80 -3.713 4.048 11.220 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -4.376 5.219 11.944 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -4.182 4.014 9.761 1.00 0.00 C ATOM 0 H LEU A 80 -0.744 5.933 12.735 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.406 3.531 13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.916 5.207 10.889 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.718 3.491 10.595 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.990 3.116 11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.459 5.098 11.916 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.040 5.243 12.981 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.102 6.153 11.452 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.265 3.893 9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.906 4.946 9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.709 3.178 9.246 1.00 0.00 H new ATOM 1293 N GLU A 81 -0.226 2.382 13.741 1.00 0.00 N ATOM 1294 CA GLU A 81 0.924 1.505 13.846 1.00 0.00 C ATOM 1295 C GLU A 81 0.932 0.511 12.692 1.00 0.00 C ATOM 1296 O GLU A 81 -0.093 -0.093 12.372 1.00 0.00 O ATOM 1297 CB GLU A 81 0.882 0.753 15.178 1.00 0.00 C ATOM 1298 CG GLU A 81 -0.311 -0.207 15.189 1.00 0.00 C ATOM 1299 CD GLU A 81 -0.525 -0.754 16.597 1.00 0.00 C ATOM 1300 OE1 GLU A 81 -1.033 -0.016 17.425 1.00 0.00 O ATOM 1301 OE2 GLU A 81 -0.179 -1.901 16.824 1.00 0.00 O ATOM 0 H GLU A 81 -0.874 2.331 14.527 1.00 0.00 H new ATOM 0 HA GLU A 81 1.832 2.106 13.801 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.809 0.199 15.323 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.800 1.460 16.004 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.208 0.311 14.850 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.135 -1.028 14.494 1.00 0.00 H new ATOM 1308 N ALA A 82 2.093 0.348 12.068 1.00 0.00 N ATOM 1309 CA ALA A 82 2.232 -0.576 10.944 1.00 0.00 C ATOM 1310 C ALA A 82 3.630 -1.188 10.932 1.00 0.00 C ATOM 1311 O ALA A 82 4.605 -0.545 11.320 1.00 0.00 O ATOM 1312 CB ALA A 82 1.974 0.163 9.622 1.00 0.00 C ATOM 0 H ALA A 82 2.950 0.841 12.319 1.00 0.00 H new ATOM 0 HA ALA A 82 1.499 -1.375 11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.080 -0.533 8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.964 0.574 9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.695 0.973 9.511 1.00 0.00 H new ATOM 1318 N ASN A 83 3.719 -2.437 10.479 1.00 0.00 N ATOM 1319 CA ASN A 83 5.002 -3.135 10.413 1.00 0.00 C ATOM 1320 C ASN A 83 5.044 -4.064 9.202 1.00 0.00 C ATOM 1321 O ASN A 83 4.065 -4.742 8.892 1.00 0.00 O ATOM 1322 CB ASN A 83 5.224 -3.944 11.692 1.00 0.00 C ATOM 1323 CG ASN A 83 4.255 -5.121 11.743 1.00 0.00 C ATOM 1324 OD1 ASN A 83 4.305 -6.005 10.889 1.00 0.00 O ATOM 1325 ND2 ASN A 83 3.369 -5.182 12.697 1.00 0.00 N ATOM 0 H ASN A 83 2.922 -2.985 10.154 1.00 0.00 H new ATOM 0 HA ASN A 83 5.794 -2.393 10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.251 -4.307 11.728 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.080 -3.306 12.564 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.715 -5.964 12.737 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.329 -4.448 13.404 1.00 0.00 H new ATOM 1332 N VAL A 84 6.187 -4.090 8.526 1.00 0.00 N ATOM 1333 CA VAL A 84 6.353 -4.940 7.353 1.00 0.00 C ATOM 1334 C VAL A 84 6.355 -6.410 7.756 1.00 0.00 C ATOM 1335 O VAL A 84 6.859 -6.769 8.821 1.00 0.00 O ATOM 1336 CB VAL A 84 7.662 -4.604 6.641 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.823 -5.506 5.418 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.634 -3.142 6.194 1.00 0.00 C ATOM 0 H VAL A 84 7.008 -3.536 8.768 1.00 0.00 H new ATOM 0 HA VAL A 84 5.518 -4.759 6.677 1.00 0.00 H new ATOM 0 HB VAL A 84 8.498 -4.763 7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.757 -5.266 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.839 -6.549 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.988 -5.347 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.567 -2.899 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.798 -2.986 5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.517 -2.497 7.065 1.00 0.00 H new ATOM 1348 N ARG A 85 5.785 -7.256 6.904 1.00 0.00 N ATOM 1349 CA ARG A 85 5.726 -8.686 7.189 1.00 0.00 C ATOM 1350 C ARG A 85 7.070 -9.183 7.712 1.00 0.00 C ATOM 1351 O ARG A 85 8.123 -8.845 7.169 1.00 0.00 O ATOM 1352 CB ARG A 85 5.358 -9.453 5.916 1.00 0.00 C ATOM 1353 CG ARG A 85 5.210 -10.946 6.233 1.00 0.00 C ATOM 1354 CD ARG A 85 4.839 -11.704 4.959 1.00 0.00 C ATOM 1355 NE ARG A 85 4.577 -13.106 5.272 1.00 0.00 N ATOM 1356 CZ ARG A 85 3.366 -13.518 5.646 1.00 0.00 C ATOM 1357 NH1 ARG A 85 2.386 -12.663 5.744 1.00 0.00 N ATOM 1358 NH2 ARG A 85 3.163 -14.778 5.920 1.00 0.00 N ATOM 0 H ARG A 85 5.361 -6.980 6.018 1.00 0.00 H new ATOM 0 HA ARG A 85 4.966 -8.857 7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.426 -9.065 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.127 -9.307 5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.142 -11.336 6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.442 -11.093 6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.958 -11.254 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.648 -11.630 4.233 1.00 0.00 H new ATOM 0 HE ARG A 85 5.336 -13.784 5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.546 -11.678 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.460 -12.980 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.931 -15.446 5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.237 -15.095 6.206 1.00 0.00 H new ATOM 1372 N VAL A 86 7.025 -9.985 8.770 1.00 0.00 N ATOM 1373 CA VAL A 86 8.242 -10.525 9.364 1.00 0.00 C ATOM 1374 C VAL A 86 8.773 -11.688 8.532 1.00 0.00 C ATOM 1375 O VAL A 86 8.010 -12.381 7.858 1.00 0.00 O ATOM 1376 CB VAL A 86 7.962 -10.999 10.791 1.00 0.00 C ATOM 1377 CG1 VAL A 86 7.414 -9.835 11.619 1.00 0.00 C ATOM 1378 CG2 VAL A 86 6.931 -12.131 10.759 1.00 0.00 C ATOM 0 H VAL A 86 6.163 -10.274 9.232 1.00 0.00 H new ATOM 0 HA VAL A 86 8.994 -9.737 9.386 1.00 0.00 H new ATOM 0 HB VAL A 86 8.887 -11.360 11.241 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.215 -10.174 12.636 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.147 -9.028 11.642 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.489 -9.472 11.170 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.731 -12.470 11.776 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.007 -11.769 10.308 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.321 -12.961 10.170 1.00 0.00 H new ATOM 1388 N ASN A 87 10.084 -11.897 8.586 1.00 0.00 N ATOM 1389 CA ASN A 87 10.706 -12.980 7.833 1.00 0.00 C ATOM 1390 C ASN A 87 10.189 -14.332 8.317 1.00 0.00 C ATOM 1391 O ASN A 87 10.034 -14.555 9.519 1.00 0.00 O ATOM 1392 CB ASN A 87 12.225 -12.924 7.997 1.00 0.00 C ATOM 1393 CG ASN A 87 12.886 -13.954 7.087 1.00 0.00 C ATOM 1394 OD1 ASN A 87 12.426 -14.181 5.968 1.00 0.00 O ATOM 1395 ND2 ASN A 87 13.944 -14.593 7.504 1.00 0.00 N ATOM 0 H ASN A 87 10.732 -11.336 9.139 1.00 0.00 H new ATOM 0 HA ASN A 87 10.450 -12.861 6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.589 -11.926 7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 87 12.494 -13.118 9.035 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.393 -15.283 6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.322 -14.402 8.432 1.00 0.00 H new ATOM 1402 N GLY A 88 9.925 -15.228 7.374 1.00 0.00 N ATOM 1403 CA GLY A 88 9.423 -16.557 7.711 1.00 0.00 C ATOM 1404 C GLY A 88 10.526 -17.419 8.313 1.00 0.00 C ATOM 1405 O GLY A 88 10.602 -18.619 8.043 1.00 0.00 O ATOM 0 H GLY A 88 10.049 -15.062 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.598 -16.470 8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.027 -17.038 6.817 1.00 0.00 H new ATOM 1409 N GLU A 89 11.376 -16.800 9.127 1.00 0.00 N ATOM 1410 CA GLU A 89 12.478 -17.515 9.765 1.00 0.00 C ATOM 1411 C GLU A 89 13.385 -18.148 8.714 1.00 0.00 C ATOM 1412 O GLU A 89 12.921 -18.582 7.659 1.00 0.00 O ATOM 1413 CB GLU A 89 11.929 -18.604 10.696 1.00 0.00 C ATOM 1414 CG GLU A 89 13.083 -19.265 11.453 1.00 0.00 C ATOM 1415 CD GLU A 89 12.541 -20.331 12.398 1.00 0.00 C ATOM 1416 OE1 GLU A 89 11.382 -20.684 12.259 1.00 0.00 O ATOM 1417 OE2 GLU A 89 13.295 -20.781 13.246 1.00 0.00 O ATOM 0 H GLU A 89 11.324 -15.808 9.360 1.00 0.00 H new ATOM 0 HA GLU A 89 13.060 -16.801 10.348 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.220 -18.170 11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.386 -19.351 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.782 -19.714 10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.637 -18.514 12.017 1.00 0.00 H new ATOM 1424 N THR A 90 14.680 -18.202 9.009 1.00 0.00 N ATOM 1425 CA THR A 90 15.639 -18.789 8.078 1.00 0.00 C ATOM 1426 C THR A 90 16.898 -19.233 8.818 1.00 0.00 C ATOM 1427 O THR A 90 16.822 -19.837 9.890 1.00 0.00 O ATOM 1428 CB THR A 90 16.003 -17.768 6.986 1.00 0.00 C ATOM 1429 OG1 THR A 90 14.849 -17.014 6.644 1.00 0.00 O ATOM 1430 CG2 THR A 90 16.524 -18.494 5.740 1.00 0.00 C ATOM 0 H THR A 90 15.087 -17.851 9.876 1.00 0.00 H new ATOM 0 HA THR A 90 15.183 -19.663 7.612 1.00 0.00 H new ATOM 0 HB THR A 90 16.781 -17.103 7.363 1.00 0.00 H new ATOM 0 HG1 THR A 90 14.906 -16.736 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.779 -17.763 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.411 -19.072 6.000 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.753 -19.164 5.360 1.00 0.00 H new ATOM 1438 N SER A 91 18.055 -18.930 8.238 1.00 0.00 N ATOM 1439 CA SER A 91 19.325 -19.304 8.845 1.00 0.00 C ATOM 1440 C SER A 91 19.361 -20.802 9.119 1.00 0.00 C ATOM 1441 O SER A 91 18.478 -21.542 8.684 1.00 0.00 O ATOM 1442 CB SER A 91 19.521 -18.537 10.151 1.00 0.00 C ATOM 1443 OG SER A 91 19.194 -17.170 9.943 1.00 0.00 O ATOM 0 H SER A 91 18.138 -18.429 7.353 1.00 0.00 H new ATOM 0 HA SER A 91 20.130 -19.053 8.154 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.890 -18.959 10.933 1.00 0.00 H new ATOM 0 HB3 SER A 91 20.553 -18.629 10.490 1.00 0.00 H new ATOM 0 HG SER A 91 19.317 -16.673 10.779 1.00 0.00 H new ATOM 1449 N PHE A 92 20.387 -21.242 9.841 1.00 0.00 N ATOM 1450 CA PHE A 92 20.533 -22.655 10.166 1.00 0.00 C ATOM 1451 C PHE A 92 20.528 -23.506 8.899 1.00 0.00 C ATOM 1452 O PHE A 92 19.529 -23.568 8.182 1.00 0.00 O ATOM 1453 CB PHE A 92 19.398 -23.100 11.092 1.00 0.00 C ATOM 1454 CG PHE A 92 19.561 -22.443 12.442 1.00 0.00 C ATOM 1455 CD1 PHE A 92 20.454 -22.982 13.376 1.00 0.00 C ATOM 1456 CD2 PHE A 92 18.820 -21.299 12.760 1.00 0.00 C ATOM 1457 CE1 PHE A 92 20.606 -22.376 14.630 1.00 0.00 C ATOM 1458 CE2 PHE A 92 18.972 -20.693 14.013 1.00 0.00 C ATOM 1459 CZ PHE A 92 19.864 -21.232 14.948 1.00 0.00 C ATOM 0 H PHE A 92 21.126 -20.643 10.210 1.00 0.00 H new ATOM 0 HA PHE A 92 21.488 -22.792 10.673 1.00 0.00 H new ATOM 0 HB2 PHE A 92 18.435 -22.831 10.659 1.00 0.00 H new ATOM 0 HB3 PHE A 92 19.407 -24.185 11.200 1.00 0.00 H new ATOM 0 HD1 PHE A 92 21.026 -23.865 13.130 1.00 0.00 H new ATOM 0 HD2 PHE A 92 18.131 -20.884 12.039 1.00 0.00 H new ATOM 0 HE1 PHE A 92 21.295 -22.791 15.351 1.00 0.00 H new ATOM 0 HE2 PHE A 92 18.401 -19.810 14.258 1.00 0.00 H new ATOM 0 HZ PHE A 92 19.980 -20.765 15.915 1.00 0.00 H new ATOM 1469 N LYS A 93 21.650 -24.162 8.629 1.00 0.00 N ATOM 1470 CA LYS A 93 21.761 -25.004 7.445 1.00 0.00 C ATOM 1471 C LYS A 93 20.863 -26.228 7.575 1.00 0.00 C ATOM 1472 O LYS A 93 20.584 -26.688 8.683 1.00 0.00 O ATOM 1473 CB LYS A 93 23.209 -25.456 7.252 1.00 0.00 C ATOM 1474 CG LYS A 93 24.080 -24.245 6.919 1.00 0.00 C ATOM 1475 CD LYS A 93 25.530 -24.695 6.735 1.00 0.00 C ATOM 1476 CE LYS A 93 26.417 -23.474 6.490 1.00 0.00 C ATOM 1477 NZ LYS A 93 25.941 -22.753 5.276 1.00 0.00 N ATOM 0 H LYS A 93 22.489 -24.128 9.208 1.00 0.00 H new ATOM 0 HA LYS A 93 21.446 -24.420 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 93 23.573 -25.942 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 93 23.268 -26.192 6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 93 23.719 -23.763 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 93 24.016 -23.507 7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 93 25.870 -25.233 7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 93 25.604 -25.385 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 93 26.389 -22.811 7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 93 27.454 -23.784 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 26.759 -22.427 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 25.364 -23.394 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 25.367 -21.934 5.561 1.00 0.00 H new ATOM 1491 N ASN A 94 20.406 -26.744 6.438 1.00 0.00 N ATOM 1492 CA ASN A 94 19.532 -27.913 6.433 1.00 0.00 C ATOM 1493 C ASN A 94 18.470 -27.793 7.521 1.00 0.00 C ATOM 1494 O ASN A 94 18.284 -26.725 8.104 1.00 0.00 O ATOM 1495 CB ASN A 94 20.357 -29.184 6.657 1.00 0.00 C ATOM 1496 CG ASN A 94 20.931 -29.197 8.071 1.00 0.00 C ATOM 1497 OD1 ASN A 94 20.192 -29.039 9.043 1.00 0.00 O ATOM 1498 ND2 ASN A 94 22.212 -29.369 8.246 1.00 0.00 N ATOM 0 H ASN A 94 20.625 -26.374 5.513 1.00 0.00 H new ATOM 0 HA ASN A 94 19.037 -27.969 5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.732 -30.064 6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 94 21.166 -29.235 5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.602 -29.373 9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 94 22.824 -29.500 7.440 1.00 0.00 H new ATOM 1505 N LYS A 95 17.776 -28.896 7.792 1.00 0.00 N ATOM 1506 CA LYS A 95 16.733 -28.913 8.815 1.00 0.00 C ATOM 1507 C LYS A 95 16.702 -30.258 9.531 1.00 0.00 C ATOM 1508 O LYS A 95 17.075 -31.283 8.961 1.00 0.00 O ATOM 1509 CB LYS A 95 15.372 -28.633 8.170 1.00 0.00 C ATOM 1510 CG LYS A 95 15.043 -29.735 7.158 1.00 0.00 C ATOM 1511 CD LYS A 95 13.709 -29.422 6.480 1.00 0.00 C ATOM 1512 CE LYS A 95 13.385 -30.524 5.472 1.00 0.00 C ATOM 1513 NZ LYS A 95 12.072 -30.238 4.830 1.00 0.00 N ATOM 0 H LYS A 95 17.917 -29.788 7.318 1.00 0.00 H new ATOM 0 HA LYS A 95 16.953 -28.138 9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.598 -28.587 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.387 -27.663 7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.834 -29.807 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.990 -30.701 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 95 12.917 -29.350 7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.761 -28.457 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.167 -30.581 4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.354 -31.492 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.851 -30.987 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.330 -30.204 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.118 -29.322 4.340 1.00 0.00 H new ATOM 1527 N TRP A 96 16.250 -30.247 10.779 1.00 0.00 N ATOM 1528 CA TRP A 96 16.171 -31.475 11.559 1.00 0.00 C ATOM 1529 C TRP A 96 15.249 -31.286 12.759 1.00 0.00 C ATOM 1530 O TRP A 96 15.430 -30.314 13.473 1.00 0.00 O ATOM 1531 CB TRP A 96 17.565 -31.878 12.042 1.00 0.00 C ATOM 1532 CG TRP A 96 17.509 -33.248 12.638 1.00 0.00 C ATOM 1533 CD1 TRP A 96 17.669 -34.401 11.948 1.00 0.00 C ATOM 1534 CD2 TRP A 96 17.277 -33.629 14.024 1.00 0.00 C ATOM 1535 NE1 TRP A 96 17.554 -35.465 12.823 1.00 0.00 N ATOM 1536 CE2 TRP A 96 17.313 -35.041 14.115 1.00 0.00 C ATOM 1537 CE3 TRP A 96 17.045 -32.894 15.202 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 17.121 -35.701 15.329 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 16.852 -33.556 16.426 1.00 0.00 C ATOM 1540 CH2 TRP A 96 16.892 -34.957 16.490 1.00 0.00 C ATOM 1541 OXT TRP A 96 14.373 -32.116 12.944 1.00 0.00 O ATOM 0 H TRP A 96 15.935 -29.409 11.269 1.00 0.00 H new ATOM 0 HA TRP A 96 15.766 -32.263 10.924 1.00 0.00 H new ATOM 0 HB2 TRP A 96 18.269 -31.860 11.210 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.926 -31.163 12.781 1.00 0.00 H new ATOM 0 HD1 TRP A 96 17.856 -34.477 10.887 1.00 0.00 H new ATOM 0 HE1 TRP A 96 17.637 -36.444 12.548 1.00 0.00 H new ATOM 0 HE3 TRP A 96 17.015 -31.815 15.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 17.149 -36.780 15.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 16.672 -32.983 17.323 1.00 0.00 H new ATOM 0 HH2 TRP A 96 16.746 -35.460 17.435 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -12.257 5.382 12.118 1.00 0.00 ZN HETATM 1554 O HOH A 301 -13.690 6.871 12.867 1.00 0.00 O