USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=21 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 54 SER OG : rot 88:sc= -1.19 USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0.0359 USER MOD Set 2.1: A 18 LYS NZ :NH3+ 164:sc= 0.0303 (180deg=-0.0273) USER MOD Set 2.2: A 20 TYR OH : rot 30:sc= 0.0271 USER MOD Single : A 4 GLN : amide:sc= -3.97! C(o=-4!,f=-5.1!) USER MOD Single : A 5 ASN : amide:sc= -0.0451 K(o=-0.045,f=-2!) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0452 (180deg=-0.423) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0205) 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+ 163:sc= -0.041 (180deg=-0.403) USER MOD Single : A 17 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.1) USER MOD Single : A 19 SER OG : rot -160:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.2!) 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 75:sc= 0.0102 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -4! C(o=-4!,f=-7.4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 70 GLN : amide:sc= -0.195 K(o=-0.19,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -2.33 F(o=-3.8!,f=-2.3) USER MOD Single : A 83 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2!) USER MOD Single : A 87 ASN : amide:sc= -0.577 K(o=-0.58,f=-5.3!) USER MOD Single : A 90 THR OG1 : rot 27:sc= 0.414 USER MOD Single : A 91 SER OG : rot 180:sc= -0.207 USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= -0.0338 (180deg=-0.411) USER MOD Single : A 94 ASN : amide:sc= -6.67! C(o=-6.7!,f=-12!) USER MOD Single : A 95 LYS NZ :NH3+ -164:sc= -0.0436 (180deg=-0.409) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 3.376 -27.780 -0.054 1.00 0.00 N ATOM 2 CA ALA A 2 4.809 -27.453 0.194 1.00 0.00 C ATOM 3 C ALA A 2 5.246 -26.344 -0.755 1.00 0.00 C ATOM 4 O ALA A 2 6.124 -25.544 -0.428 1.00 0.00 O ATOM 5 CB ALA A 2 5.662 -28.700 -0.035 1.00 0.00 C ATOM 0 HA ALA A 2 4.936 -27.116 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.710 -28.462 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.345 -29.488 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.540 -29.041 -1.063 1.00 0.00 H new ATOM 13 N LEU A 3 4.630 -26.302 -1.932 1.00 0.00 N ATOM 14 CA LEU A 3 4.961 -25.287 -2.926 1.00 0.00 C ATOM 15 C LEU A 3 6.473 -25.097 -3.019 1.00 0.00 C ATOM 16 O LEU A 3 7.052 -24.259 -2.326 1.00 0.00 O ATOM 17 CB LEU A 3 4.294 -23.959 -2.552 1.00 0.00 C ATOM 18 CG LEU A 3 2.800 -23.995 -2.921 1.00 0.00 C ATOM 19 CD1 LEU A 3 2.614 -24.013 -4.454 1.00 0.00 C ATOM 20 CD2 LEU A 3 2.156 -25.240 -2.296 1.00 0.00 C ATOM 0 H LEU A 3 3.902 -26.956 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 3 4.592 -25.618 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.408 -23.774 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.785 -23.137 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 3 2.317 -23.098 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.550 -24.038 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.061 -23.117 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.099 -24.896 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.097 -25.271 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.648 -26.135 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.264 -25.200 -1.212 1.00 0.00 H new ATOM 32 N GLN A 4 7.104 -25.884 -3.884 1.00 0.00 N ATOM 33 CA GLN A 4 8.549 -25.808 -4.079 1.00 0.00 C ATOM 34 C GLN A 4 8.874 -24.936 -5.288 1.00 0.00 C ATOM 35 O GLN A 4 10.034 -24.799 -5.673 1.00 0.00 O ATOM 36 CB GLN A 4 9.122 -27.218 -4.281 1.00 0.00 C ATOM 37 CG GLN A 4 8.162 -28.052 -5.139 1.00 0.00 C ATOM 38 CD GLN A 4 6.994 -28.549 -4.291 1.00 0.00 C ATOM 39 OE1 GLN A 4 7.196 -29.040 -3.181 1.00 0.00 O ATOM 40 NE2 GLN A 4 5.776 -28.453 -4.752 1.00 0.00 N ATOM 0 H GLN A 4 6.638 -26.583 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 4 9.001 -25.361 -3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 4 10.097 -27.158 -4.764 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.274 -27.700 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.789 -27.451 -5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 4 8.693 -28.900 -5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.610 -28.046 -5.672 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.991 -28.785 -4.192 1.00 0.00 H new ATOM 49 N ASN A 5 7.842 -24.347 -5.887 1.00 0.00 N ATOM 50 CA ASN A 5 8.041 -23.490 -7.051 1.00 0.00 C ATOM 51 C ASN A 5 8.726 -22.190 -6.645 1.00 0.00 C ATOM 52 O ASN A 5 8.187 -21.415 -5.856 1.00 0.00 O ATOM 53 CB ASN A 5 6.697 -23.174 -7.708 1.00 0.00 C ATOM 54 CG ASN A 5 6.154 -24.415 -8.409 1.00 0.00 C ATOM 55 OD1 ASN A 5 6.897 -25.367 -8.651 1.00 0.00 O ATOM 56 ND2 ASN A 5 4.897 -24.460 -8.753 1.00 0.00 N ATOM 0 H ASN A 5 6.871 -24.446 -5.590 1.00 0.00 H new ATOM 0 HA ASN A 5 8.675 -24.019 -7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.987 -22.831 -6.956 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.816 -22.363 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.526 -25.285 -9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.284 -23.670 -8.551 1.00 0.00 H new ATOM 63 N LYS A 6 9.919 -21.958 -7.192 1.00 0.00 N ATOM 64 CA LYS A 6 10.680 -20.745 -6.885 1.00 0.00 C ATOM 65 C LYS A 6 10.520 -19.718 -8.003 1.00 0.00 C ATOM 66 O LYS A 6 11.126 -18.649 -7.965 1.00 0.00 O ATOM 67 CB LYS A 6 12.162 -21.091 -6.715 1.00 0.00 C ATOM 68 CG LYS A 6 12.331 -22.028 -5.517 1.00 0.00 C ATOM 69 CD LYS A 6 13.809 -22.383 -5.351 1.00 0.00 C ATOM 70 CE LYS A 6 13.967 -23.397 -4.215 1.00 0.00 C ATOM 71 NZ LYS A 6 13.502 -22.788 -2.936 1.00 0.00 N ATOM 0 H LYS A 6 10.379 -22.590 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 6 10.297 -20.319 -5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.542 -21.567 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.744 -20.182 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.957 -21.549 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.743 -22.934 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.201 -22.798 -6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.387 -21.485 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.390 -24.296 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.010 -23.701 -4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.865 -23.343 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.854 -21.812 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.462 -22.784 -2.911 1.00 0.00 H new ATOM 85 N GLU A 7 9.702 -20.051 -8.995 1.00 0.00 N ATOM 86 CA GLU A 7 9.473 -19.150 -10.119 1.00 0.00 C ATOM 87 C GLU A 7 8.838 -17.849 -9.639 1.00 0.00 C ATOM 88 O GLU A 7 9.172 -16.768 -10.122 1.00 0.00 O ATOM 89 CB GLU A 7 8.556 -19.817 -11.146 1.00 0.00 C ATOM 90 CG GLU A 7 9.284 -20.998 -11.792 1.00 0.00 C ATOM 91 CD GLU A 7 8.350 -21.724 -12.753 1.00 0.00 C ATOM 92 OE1 GLU A 7 7.202 -21.322 -12.849 1.00 0.00 O ATOM 93 OE2 GLU A 7 8.794 -22.674 -13.376 1.00 0.00 O ATOM 0 H GLU A 7 9.190 -20.932 -9.045 1.00 0.00 H new ATOM 0 HA GLU A 7 10.434 -18.925 -10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.641 -20.161 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.262 -19.096 -11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.166 -20.644 -12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.633 -21.686 -11.022 1.00 0.00 H new ATOM 100 N GLU A 8 7.922 -17.962 -8.683 1.00 0.00 N ATOM 101 CA GLU A 8 7.246 -16.790 -8.140 1.00 0.00 C ATOM 102 C GLU A 8 8.236 -15.896 -7.402 1.00 0.00 C ATOM 103 O GLU A 8 8.100 -14.672 -7.399 1.00 0.00 O ATOM 104 CB GLU A 8 6.131 -17.223 -7.185 1.00 0.00 C ATOM 105 CG GLU A 8 6.722 -18.066 -6.051 1.00 0.00 C ATOM 106 CD GLU A 8 5.613 -18.534 -5.116 1.00 0.00 C ATOM 107 OE1 GLU A 8 4.717 -17.748 -4.850 1.00 0.00 O ATOM 108 OE2 GLU A 8 5.671 -19.673 -4.684 1.00 0.00 O ATOM 0 H GLU A 8 7.632 -18.848 -8.270 1.00 0.00 H new ATOM 0 HA GLU A 8 6.813 -16.227 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.628 -16.347 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.379 -17.798 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.249 -18.927 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.454 -17.480 -5.495 1.00 0.00 H new ATOM 115 N GLU A 9 9.229 -16.515 -6.774 1.00 0.00 N ATOM 116 CA GLU A 9 10.236 -15.765 -6.032 1.00 0.00 C ATOM 117 C GLU A 9 11.024 -14.857 -6.968 1.00 0.00 C ATOM 118 O GLU A 9 11.440 -13.765 -6.583 1.00 0.00 O ATOM 119 CB GLU A 9 11.193 -16.732 -5.322 1.00 0.00 C ATOM 120 CG GLU A 9 11.975 -15.990 -4.231 1.00 0.00 C ATOM 121 CD GLU A 9 12.975 -15.030 -4.868 1.00 0.00 C ATOM 122 OE1 GLU A 9 13.474 -15.347 -5.934 1.00 0.00 O ATOM 123 OE2 GLU A 9 13.224 -13.990 -4.281 1.00 0.00 O ATOM 0 H GLU A 9 9.358 -17.527 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 9 9.730 -15.148 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.631 -17.555 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.884 -17.168 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.287 -15.439 -3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.498 -16.705 -3.597 1.00 0.00 H new ATOM 130 N LYS A 10 11.226 -15.314 -8.199 1.00 0.00 N ATOM 131 CA LYS A 10 11.968 -14.530 -9.178 1.00 0.00 C ATOM 132 C LYS A 10 11.297 -13.179 -9.400 1.00 0.00 C ATOM 133 O LYS A 10 10.091 -13.103 -9.636 1.00 0.00 O ATOM 134 CB LYS A 10 12.041 -15.290 -10.503 1.00 0.00 C ATOM 135 CG LYS A 10 12.940 -14.529 -11.479 1.00 0.00 C ATOM 136 CD LYS A 10 13.059 -15.319 -12.784 1.00 0.00 C ATOM 137 CE LYS A 10 13.971 -14.567 -13.756 1.00 0.00 C ATOM 138 NZ LYS A 10 14.098 -15.344 -15.020 1.00 0.00 N ATOM 0 H LYS A 10 10.890 -16.215 -8.540 1.00 0.00 H new ATOM 0 HA LYS A 10 12.976 -14.364 -8.798 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.433 -16.293 -10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.042 -15.404 -10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.526 -13.540 -11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.927 -14.380 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.462 -16.312 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.073 -15.459 -13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.562 -13.578 -13.964 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.953 -14.418 -13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.718 -14.833 -15.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.507 -16.278 -14.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 13.158 -15.464 -15.449 1.00 0.00 H new ATOM 152 N LYS A 11 12.089 -12.114 -9.326 1.00 0.00 N ATOM 153 CA LYS A 11 11.565 -10.766 -9.521 1.00 0.00 C ATOM 154 C LYS A 11 11.042 -10.595 -10.942 1.00 0.00 C ATOM 155 O LYS A 11 9.990 -9.991 -11.160 1.00 0.00 O ATOM 156 CB LYS A 11 12.665 -9.736 -9.252 1.00 0.00 C ATOM 157 CG LYS A 11 13.015 -9.745 -7.762 1.00 0.00 C ATOM 158 CD LYS A 11 14.133 -8.734 -7.493 1.00 0.00 C ATOM 159 CE LYS A 11 14.432 -8.685 -5.993 1.00 0.00 C ATOM 160 NZ LYS A 11 15.228 -9.883 -5.606 1.00 0.00 N ATOM 0 H LYS A 11 13.090 -12.157 -9.134 1.00 0.00 H new ATOM 0 HA LYS A 11 10.742 -10.611 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.549 -9.968 -9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.330 -8.743 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.135 -9.496 -7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.332 -10.743 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.031 -9.014 -8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.837 -7.747 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.982 -7.776 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.501 -8.655 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.489 -9.817 -4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.661 -10.741 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.090 -9.929 -6.186 1.00 0.00 H new ATOM 174 N LYS A 12 11.785 -11.129 -11.906 1.00 0.00 N ATOM 175 CA LYS A 12 11.394 -11.030 -13.308 1.00 0.00 C ATOM 176 C LYS A 12 11.144 -9.573 -13.687 1.00 0.00 C ATOM 177 O LYS A 12 10.544 -9.287 -14.723 1.00 0.00 O ATOM 178 CB LYS A 12 10.122 -11.859 -13.557 1.00 0.00 C ATOM 179 CG LYS A 12 10.020 -12.232 -15.040 1.00 0.00 C ATOM 180 CD LYS A 12 8.829 -13.168 -15.249 1.00 0.00 C ATOM 181 CE LYS A 12 8.759 -13.569 -16.722 1.00 0.00 C ATOM 182 NZ LYS A 12 7.651 -14.544 -16.918 1.00 0.00 N ATOM 0 H LYS A 12 12.657 -11.632 -11.744 1.00 0.00 H new ATOM 0 HA LYS A 12 12.203 -11.420 -13.925 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.142 -12.762 -12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.243 -11.290 -13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.900 -11.333 -15.645 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.939 -12.717 -15.368 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.933 -14.054 -14.623 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.905 -12.673 -14.950 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.597 -12.688 -17.343 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.705 -14.010 -17.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.603 -14.818 -17.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.825 -15.389 -16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.751 -14.108 -16.634 1.00 0.00 H new ATOM 196 N VAL A 13 11.606 -8.656 -12.843 1.00 0.00 N ATOM 197 CA VAL A 13 11.420 -7.234 -13.103 1.00 0.00 C ATOM 198 C VAL A 13 10.003 -6.955 -13.596 1.00 0.00 C ATOM 199 O VAL A 13 9.798 -6.604 -14.759 1.00 0.00 O ATOM 200 CB VAL A 13 12.426 -6.765 -14.158 1.00 0.00 C ATOM 201 CG1 VAL A 13 12.510 -5.237 -14.144 1.00 0.00 C ATOM 202 CG2 VAL A 13 13.803 -7.353 -13.840 1.00 0.00 C ATOM 0 H VAL A 13 12.107 -8.870 -11.981 1.00 0.00 H new ATOM 0 HA VAL A 13 11.581 -6.691 -12.172 1.00 0.00 H new ATOM 0 HB VAL A 13 12.102 -7.100 -15.143 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.226 -4.905 -14.895 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.529 -4.817 -14.367 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.834 -4.899 -13.160 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.522 -7.021 -14.589 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.124 -7.016 -12.854 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.745 -8.441 -13.850 1.00 0.00 H new ATOM 212 N LYS A 14 9.028 -7.115 -12.706 1.00 0.00 N ATOM 213 CA LYS A 14 7.630 -6.877 -13.059 1.00 0.00 C ATOM 214 C LYS A 14 7.271 -5.409 -12.861 1.00 0.00 C ATOM 215 O LYS A 14 7.307 -4.618 -13.805 1.00 0.00 O ATOM 216 CB LYS A 14 6.720 -7.750 -12.194 1.00 0.00 C ATOM 217 CG LYS A 14 6.916 -9.218 -12.572 1.00 0.00 C ATOM 218 CD LYS A 14 6.019 -10.096 -11.698 1.00 0.00 C ATOM 219 CE LYS A 14 6.214 -11.564 -12.078 1.00 0.00 C ATOM 220 NZ LYS A 14 5.332 -12.417 -11.231 1.00 0.00 N ATOM 0 H LYS A 14 9.178 -7.407 -11.740 1.00 0.00 H new ATOM 0 HA LYS A 14 7.489 -7.134 -14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.950 -7.601 -11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.678 -7.462 -12.337 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.675 -9.368 -13.624 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.960 -9.502 -12.440 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.261 -9.947 -10.646 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.975 -9.811 -11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.979 -11.712 -13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.257 -11.851 -11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.464 -13.416 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.577 -12.283 -10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.339 -12.148 -11.383 1.00 0.00 H new ATOM 234 N LYS A 15 6.929 -5.049 -11.626 1.00 0.00 N ATOM 235 CA LYS A 15 6.566 -3.669 -11.303 1.00 0.00 C ATOM 236 C LYS A 15 7.142 -3.266 -9.952 1.00 0.00 C ATOM 237 O LYS A 15 6.587 -3.604 -8.906 1.00 0.00 O ATOM 238 CB LYS A 15 5.043 -3.526 -11.271 1.00 0.00 C ATOM 239 CG LYS A 15 4.491 -3.663 -12.690 1.00 0.00 C ATOM 240 CD LYS A 15 2.969 -3.509 -12.662 1.00 0.00 C ATOM 241 CE LYS A 15 2.425 -3.549 -14.091 1.00 0.00 C ATOM 242 NZ LYS A 15 2.694 -4.888 -14.689 1.00 0.00 N ATOM 0 H LYS A 15 6.895 -5.691 -10.834 1.00 0.00 H new ATOM 0 HA LYS A 15 6.979 -3.015 -12.071 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.608 -4.289 -10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.766 -2.558 -10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.932 -2.906 -13.338 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.761 -4.634 -13.105 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.523 -4.308 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.697 -2.568 -12.184 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.354 -3.349 -14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.894 -2.770 -14.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.091 -5.022 -15.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.694 -4.948 -14.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.485 -5.629 -13.990 1.00 0.00 H new ATOM 256 N LEU A 16 8.257 -2.539 -9.981 1.00 0.00 N ATOM 257 CA LEU A 16 8.902 -2.092 -8.752 1.00 0.00 C ATOM 258 C LEU A 16 8.873 -3.192 -7.698 1.00 0.00 C ATOM 259 O LEU A 16 8.734 -4.369 -8.027 1.00 0.00 O ATOM 260 CB LEU A 16 8.198 -0.845 -8.221 1.00 0.00 C ATOM 261 CG LEU A 16 8.154 0.230 -9.313 1.00 0.00 C ATOM 262 CD1 LEU A 16 7.491 1.490 -8.751 1.00 0.00 C ATOM 263 CD2 LEU A 16 9.577 0.562 -9.795 1.00 0.00 C ATOM 0 H LEU A 16 8.729 -2.249 -10.837 1.00 0.00 H new ATOM 0 HA LEU A 16 9.942 -1.853 -8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.186 -1.095 -7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.723 -0.465 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 16 7.579 -0.143 -10.160 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.457 2.258 -9.523 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.477 1.254 -8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.067 1.856 -7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.529 1.327 -10.570 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.168 0.931 -8.957 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.043 -0.336 -10.200 1.00 0.00 H new ATOM 275 N GLN A 17 9.008 -2.803 -6.431 1.00 0.00 N ATOM 276 CA GLN A 17 8.998 -3.770 -5.335 1.00 0.00 C ATOM 277 C GLN A 17 7.766 -3.562 -4.465 1.00 0.00 C ATOM 278 O GLN A 17 7.615 -2.521 -3.824 1.00 0.00 O ATOM 279 CB GLN A 17 10.261 -3.599 -4.486 1.00 0.00 C ATOM 280 CG GLN A 17 10.371 -4.752 -3.486 1.00 0.00 C ATOM 281 CD GLN A 17 10.649 -6.056 -4.225 1.00 0.00 C ATOM 282 OE1 GLN A 17 11.408 -6.070 -5.195 1.00 0.00 O ATOM 283 NE2 GLN A 17 10.079 -7.159 -3.824 1.00 0.00 N ATOM 0 H GLN A 17 9.125 -1.833 -6.140 1.00 0.00 H new ATOM 0 HA GLN A 17 8.973 -4.777 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.142 -3.576 -5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.228 -2.647 -3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.170 -4.551 -2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.447 -4.838 -2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.451 -7.146 -3.021 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.262 -8.035 -4.314 1.00 0.00 H new ATOM 292 N LYS A 18 6.894 -4.563 -4.444 1.00 0.00 N ATOM 293 CA LYS A 18 5.675 -4.495 -3.647 1.00 0.00 C ATOM 294 C LYS A 18 5.917 -5.099 -2.268 1.00 0.00 C ATOM 295 O LYS A 18 6.577 -6.130 -2.140 1.00 0.00 O ATOM 296 CB LYS A 18 4.547 -5.254 -4.353 1.00 0.00 C ATOM 297 CG LYS A 18 4.926 -6.732 -4.485 1.00 0.00 C ATOM 298 CD LYS A 18 3.862 -7.457 -5.311 1.00 0.00 C ATOM 299 CE LYS A 18 4.262 -8.924 -5.485 1.00 0.00 C ATOM 300 NZ LYS A 18 3.986 -9.667 -4.223 1.00 0.00 N ATOM 0 H LYS A 18 7.008 -5.430 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 18 5.387 -3.450 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.620 -5.155 -3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.368 -4.825 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.901 -6.828 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.009 -7.187 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.893 -7.390 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.756 -6.980 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.706 -9.368 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.320 -8.996 -5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.996 -10.689 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.717 -9.439 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.053 -9.392 -3.855 1.00 0.00 H new ATOM 314 N SER A 19 5.380 -4.451 -1.240 1.00 0.00 N ATOM 315 CA SER A 19 5.536 -4.928 0.133 1.00 0.00 C ATOM 316 C SER A 19 4.193 -4.903 0.855 1.00 0.00 C ATOM 317 O SER A 19 3.324 -4.091 0.539 1.00 0.00 O ATOM 318 CB SER A 19 6.538 -4.044 0.877 1.00 0.00 C ATOM 319 OG SER A 19 7.837 -4.255 0.341 1.00 0.00 O ATOM 0 H SER A 19 4.833 -3.595 -1.329 1.00 0.00 H new ATOM 0 HA SER A 19 5.906 -5.953 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.258 -2.995 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.528 -4.279 1.941 1.00 0.00 H new ATOM 0 HG SER A 19 8.510 -3.957 0.988 1.00 0.00 H new ATOM 325 N TYR A 20 4.033 -5.797 1.827 1.00 0.00 N ATOM 326 CA TYR A 20 2.795 -5.877 2.599 1.00 0.00 C ATOM 327 C TYR A 20 3.005 -5.288 3.987 1.00 0.00 C ATOM 328 O TYR A 20 4.006 -5.573 4.647 1.00 0.00 O ATOM 329 CB TYR A 20 2.359 -7.336 2.728 1.00 0.00 C ATOM 330 CG TYR A 20 2.061 -7.893 1.354 1.00 0.00 C ATOM 331 CD1 TYR A 20 0.966 -7.408 0.625 1.00 0.00 C ATOM 332 CD2 TYR A 20 2.875 -8.895 0.810 1.00 0.00 C ATOM 333 CE1 TYR A 20 0.688 -7.923 -0.646 1.00 0.00 C ATOM 334 CE2 TYR A 20 2.595 -9.409 -0.463 1.00 0.00 C ATOM 335 CZ TYR A 20 1.503 -8.924 -1.190 1.00 0.00 C ATOM 336 OH TYR A 20 1.227 -9.432 -2.442 1.00 0.00 O ATOM 0 H TYR A 20 4.744 -6.476 2.099 1.00 0.00 H new ATOM 0 HA TYR A 20 2.021 -5.310 2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.144 -7.921 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.475 -7.409 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.337 -6.637 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.718 -9.271 1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.155 -7.549 -1.208 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.223 -10.181 -0.883 1.00 0.00 H new ATOM 0 HH TYR A 20 0.801 -8.740 -2.989 1.00 0.00 H new ATOM 346 N PHE A 21 2.057 -4.461 4.424 1.00 0.00 N ATOM 347 CA PHE A 21 2.138 -3.825 5.739 1.00 0.00 C ATOM 348 C PHE A 21 0.924 -4.208 6.581 1.00 0.00 C ATOM 349 O PHE A 21 -0.213 -4.144 6.112 1.00 0.00 O ATOM 350 CB PHE A 21 2.178 -2.305 5.568 1.00 0.00 C ATOM 351 CG PHE A 21 3.354 -1.928 4.697 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.278 -2.108 3.309 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.522 -1.407 5.271 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.364 -1.766 2.498 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.610 -1.064 4.456 1.00 0.00 C ATOM 356 CZ PHE A 21 5.529 -1.246 3.070 1.00 0.00 C ATOM 0 H PHE A 21 1.225 -4.215 3.888 1.00 0.00 H new ATOM 0 HA PHE A 21 3.044 -4.163 6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.250 -1.954 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.262 -1.821 6.541 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.380 -2.511 2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.584 -1.270 6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.303 -1.904 1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.509 -0.660 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.368 -0.984 2.442 1.00 0.00 H new ATOM 366 N ASP A 22 1.168 -4.604 7.826 1.00 0.00 N ATOM 367 CA ASP A 22 0.090 -4.990 8.731 1.00 0.00 C ATOM 368 C ASP A 22 -0.286 -3.814 9.624 1.00 0.00 C ATOM 369 O ASP A 22 0.440 -3.481 10.562 1.00 0.00 O ATOM 370 CB ASP A 22 0.541 -6.168 9.596 1.00 0.00 C ATOM 371 CG ASP A 22 -0.657 -6.770 10.319 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.649 -6.075 10.456 1.00 0.00 O ATOM 373 OD2 ASP A 22 -0.565 -7.917 10.725 1.00 0.00 O ATOM 0 H ASP A 22 2.102 -4.666 8.232 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.780 -5.284 8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.019 -6.925 8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.284 -5.835 10.321 1.00 0.00 H new ATOM 378 N VAL A 23 -1.424 -3.188 9.328 1.00 0.00 N ATOM 379 CA VAL A 23 -1.885 -2.046 10.111 1.00 0.00 C ATOM 380 C VAL A 23 -2.823 -2.508 11.215 1.00 0.00 C ATOM 381 O VAL A 23 -4.038 -2.560 11.032 1.00 0.00 O ATOM 382 CB VAL A 23 -2.618 -1.063 9.203 1.00 0.00 C ATOM 383 CG1 VAL A 23 -2.930 0.210 9.987 1.00 0.00 C ATOM 384 CG2 VAL A 23 -1.727 -0.720 8.009 1.00 0.00 C ATOM 0 H VAL A 23 -2.039 -3.451 8.558 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.020 -1.557 10.560 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.547 -1.510 8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.454 0.915 9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.559 -0.035 10.843 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.000 0.659 10.336 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.247 -0.018 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.801 -0.268 8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.497 -1.629 7.453 1.00 0.00 H new ATOM 394 N LEU A 24 -2.253 -2.850 12.361 1.00 0.00 N ATOM 395 CA LEU A 24 -3.056 -3.314 13.483 1.00 0.00 C ATOM 396 C LEU A 24 -3.940 -2.183 14.002 1.00 0.00 C ATOM 397 O LEU A 24 -5.108 -2.395 14.331 1.00 0.00 O ATOM 398 CB LEU A 24 -2.140 -3.831 14.607 1.00 0.00 C ATOM 399 CG LEU A 24 -2.820 -4.987 15.368 1.00 0.00 C ATOM 400 CD1 LEU A 24 -4.194 -4.532 15.886 1.00 0.00 C ATOM 401 CD2 LEU A 24 -2.982 -6.217 14.438 1.00 0.00 C ATOM 0 H LEU A 24 -1.249 -2.816 12.538 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.696 -4.130 13.146 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.194 -4.172 14.186 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.908 -3.020 15.297 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.196 -5.270 16.215 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.670 -5.352 16.423 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.067 -3.684 16.558 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.821 -4.237 15.044 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.463 -7.027 14.986 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.596 -5.945 13.579 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.001 -6.545 14.094 1.00 0.00 H new ATOM 413 N GLY A 25 -3.372 -0.986 14.076 1.00 0.00 N ATOM 414 CA GLY A 25 -4.115 0.167 14.564 1.00 0.00 C ATOM 415 C GLY A 25 -5.197 0.581 13.573 1.00 0.00 C ATOM 416 O GLY A 25 -5.530 1.760 13.469 1.00 0.00 O ATOM 0 H GLY A 25 -2.408 -0.790 13.807 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.570 -0.070 15.526 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.432 1.000 14.731 1.00 0.00 H new ATOM 420 N ILE A 26 -5.748 -0.393 12.851 1.00 0.00 N ATOM 421 CA ILE A 26 -6.796 -0.111 11.876 1.00 0.00 C ATOM 422 C ILE A 26 -8.166 -0.182 12.539 1.00 0.00 C ATOM 423 O ILE A 26 -8.484 -1.150 13.229 1.00 0.00 O ATOM 424 CB ILE A 26 -6.727 -1.123 10.726 1.00 0.00 C ATOM 425 CG1 ILE A 26 -7.742 -0.742 9.633 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.048 -2.526 11.255 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.384 0.620 9.016 1.00 0.00 C ATOM 0 H ILE A 26 -5.488 -1.377 12.923 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.644 0.894 11.481 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.723 -1.115 10.303 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.754 -1.507 8.857 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.745 -0.703 10.058 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.998 -3.244 10.436 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.324 -2.800 12.022 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.050 -2.533 11.683 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.112 0.873 8.245 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.396 1.385 9.792 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.390 0.568 8.573 1.00 0.00 H new ATOM 439 N CYS A 27 -8.974 0.854 12.324 1.00 0.00 N ATOM 440 CA CYS A 27 -10.317 0.909 12.898 1.00 0.00 C ATOM 441 C CYS A 27 -11.325 1.314 11.825 1.00 0.00 C ATOM 442 O CYS A 27 -11.045 2.164 10.982 1.00 0.00 O ATOM 443 CB CYS A 27 -10.326 1.897 14.087 1.00 0.00 C ATOM 444 SG CYS A 27 -11.858 2.872 14.111 1.00 0.00 S ATOM 0 H CYS A 27 -8.723 1.665 11.758 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.604 -0.075 13.269 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.226 1.347 15.023 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.467 2.564 14.017 1.00 0.00 H new ATOM 449 N CYS A 28 -12.501 0.697 11.869 1.00 0.00 N ATOM 450 CA CYS A 28 -13.548 1.000 10.902 1.00 0.00 C ATOM 451 C CYS A 28 -12.967 1.095 9.494 1.00 0.00 C ATOM 452 O CYS A 28 -11.806 0.751 9.268 1.00 0.00 O ATOM 453 CB CYS A 28 -14.238 2.319 11.278 1.00 0.00 C ATOM 454 SG CYS A 28 -13.240 3.725 10.716 1.00 0.00 S ATOM 0 H CYS A 28 -12.751 -0.011 12.559 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.282 0.194 10.918 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.229 2.362 10.826 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.378 2.371 12.358 1.00 0.00 H new ATOM 459 N THR A 29 -13.779 1.570 8.551 1.00 0.00 N ATOM 460 CA THR A 29 -13.340 1.719 7.164 1.00 0.00 C ATOM 461 C THR A 29 -13.487 3.169 6.713 1.00 0.00 C ATOM 462 O THR A 29 -13.031 3.541 5.632 1.00 0.00 O ATOM 463 CB THR A 29 -14.171 0.813 6.257 1.00 0.00 C ATOM 464 OG1 THR A 29 -15.442 1.405 6.031 1.00 0.00 O ATOM 465 CG2 THR A 29 -14.353 -0.545 6.928 1.00 0.00 C ATOM 0 H THR A 29 -14.743 1.858 8.721 1.00 0.00 H new ATOM 0 HA THR A 29 -12.290 1.434 7.098 1.00 0.00 H new ATOM 0 HB THR A 29 -13.658 0.682 5.304 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.974 0.824 5.448 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.946 -1.193 6.283 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.377 -0.999 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.866 -0.414 7.881 1.00 0.00 H new ATOM 473 N SER A 30 -14.130 3.983 7.547 1.00 0.00 N ATOM 474 CA SER A 30 -14.333 5.390 7.219 1.00 0.00 C ATOM 475 C SER A 30 -13.002 6.135 7.176 1.00 0.00 C ATOM 476 O SER A 30 -12.899 7.198 6.567 1.00 0.00 O ATOM 477 CB SER A 30 -15.247 6.045 8.255 1.00 0.00 C ATOM 478 OG SER A 30 -15.468 7.402 7.891 1.00 0.00 O ATOM 0 H SER A 30 -14.516 3.695 8.446 1.00 0.00 H new ATOM 0 HA SER A 30 -14.799 5.444 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 30 -16.196 5.511 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.793 5.991 9.244 1.00 0.00 H new ATOM 0 HG SER A 30 -16.055 7.826 8.551 1.00 0.00 H new ATOM 484 N GLU A 31 -11.989 5.566 7.833 1.00 0.00 N ATOM 485 CA GLU A 31 -10.656 6.171 7.872 1.00 0.00 C ATOM 486 C GLU A 31 -9.801 5.650 6.718 1.00 0.00 C ATOM 487 O GLU A 31 -8.596 5.895 6.666 1.00 0.00 O ATOM 488 CB GLU A 31 -9.980 5.866 9.212 1.00 0.00 C ATOM 489 CG GLU A 31 -9.679 4.376 9.311 1.00 0.00 C ATOM 490 CD GLU A 31 -9.267 4.035 10.738 1.00 0.00 C ATOM 491 OE1 GLU A 31 -9.958 4.465 11.651 1.00 0.00 O ATOM 492 OE2 GLU A 31 -8.274 3.347 10.900 1.00 0.00 O ATOM 0 H GLU A 31 -12.066 4.687 8.345 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.759 7.251 7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.058 6.439 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.628 6.171 10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.558 3.797 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.882 4.108 8.617 1.00 0.00 H new ATOM 499 N VAL A 32 -10.436 4.930 5.792 1.00 0.00 N ATOM 500 CA VAL A 32 -9.717 4.384 4.644 1.00 0.00 C ATOM 501 C VAL A 32 -9.095 5.521 3.821 1.00 0.00 C ATOM 502 O VAL A 32 -7.952 5.410 3.373 1.00 0.00 O ATOM 503 CB VAL A 32 -10.661 3.517 3.765 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.125 3.419 2.330 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.778 2.108 4.363 1.00 0.00 C ATOM 0 H VAL A 32 -11.433 4.714 5.814 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.915 3.742 5.008 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.643 3.990 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.800 2.808 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.058 4.417 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.136 2.962 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.441 1.504 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.792 1.645 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.185 2.174 5.372 1.00 0.00 H new ATOM 515 N PRO A 33 -9.814 6.599 3.606 1.00 0.00 N ATOM 516 CA PRO A 33 -9.313 7.756 2.801 1.00 0.00 C ATOM 517 C PRO A 33 -8.034 8.344 3.398 1.00 0.00 C ATOM 518 O PRO A 33 -7.158 8.816 2.676 1.00 0.00 O ATOM 519 CB PRO A 33 -10.475 8.769 2.844 1.00 0.00 C ATOM 520 CG PRO A 33 -11.678 7.958 3.192 1.00 0.00 C ATOM 521 CD PRO A 33 -11.168 6.859 4.116 1.00 0.00 C ATOM 0 HA PRO A 33 -9.045 7.471 1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.294 9.546 3.586 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.600 9.269 1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.434 8.568 3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.141 7.538 2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.152 7.182 5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.795 5.969 4.068 1.00 0.00 H new ATOM 529 N ILE A 34 -7.946 8.308 4.723 1.00 0.00 N ATOM 530 CA ILE A 34 -6.781 8.837 5.419 1.00 0.00 C ATOM 531 C ILE A 34 -5.536 8.036 5.057 1.00 0.00 C ATOM 532 O ILE A 34 -4.465 8.604 4.834 1.00 0.00 O ATOM 533 CB ILE A 34 -7.010 8.794 6.935 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.105 9.797 7.314 1.00 0.00 C ATOM 535 CG2 ILE A 34 -5.716 9.168 7.665 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.560 9.547 8.756 1.00 0.00 C ATOM 0 H ILE A 34 -8.665 7.920 5.334 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.632 9.872 5.111 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.314 7.787 7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.729 10.815 7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.951 9.700 6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.883 9.136 8.742 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.931 8.461 7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.412 10.174 7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.338 10.262 9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.953 8.534 8.843 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.712 9.666 9.431 1.00 0.00 H new ATOM 548 N ILE A 35 -5.674 6.718 5.016 1.00 0.00 N ATOM 549 CA ILE A 35 -4.547 5.857 4.696 1.00 0.00 C ATOM 550 C ILE A 35 -4.031 6.149 3.290 1.00 0.00 C ATOM 551 O ILE A 35 -2.829 6.265 3.075 1.00 0.00 O ATOM 552 CB ILE A 35 -4.977 4.390 4.780 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.322 4.038 6.230 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.833 3.490 4.302 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.009 2.671 6.272 1.00 0.00 C ATOM 0 H ILE A 35 -6.548 6.226 5.199 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.750 6.051 5.414 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.852 4.236 4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.417 4.021 6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.976 4.799 6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.141 2.446 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.584 3.735 3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.958 3.647 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.255 2.419 7.304 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.923 2.705 5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.339 1.914 5.864 1.00 0.00 H new ATOM 567 N GLU A 36 -4.951 6.274 2.341 1.00 0.00 N ATOM 568 CA GLU A 36 -4.572 6.551 0.960 1.00 0.00 C ATOM 569 C GLU A 36 -3.895 7.911 0.852 1.00 0.00 C ATOM 570 O GLU A 36 -2.986 8.102 0.045 1.00 0.00 O ATOM 571 CB GLU A 36 -5.813 6.520 0.065 1.00 0.00 C ATOM 572 CG GLU A 36 -6.368 5.095 0.008 1.00 0.00 C ATOM 573 CD GLU A 36 -7.641 5.067 -0.831 1.00 0.00 C ATOM 574 OE1 GLU A 36 -8.434 5.984 -0.700 1.00 0.00 O ATOM 575 OE2 GLU A 36 -7.803 4.128 -1.593 1.00 0.00 O ATOM 0 H GLU A 36 -5.955 6.189 2.499 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.869 5.785 0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.571 7.201 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.559 6.863 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.625 4.423 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.578 4.737 1.016 1.00 0.00 H new ATOM 582 N ASN A 37 -4.345 8.853 1.673 1.00 0.00 N ATOM 583 CA ASN A 37 -3.780 10.197 1.665 1.00 0.00 C ATOM 584 C ASN A 37 -2.308 10.165 2.070 1.00 0.00 C ATOM 585 O ASN A 37 -1.482 10.881 1.506 1.00 0.00 O ATOM 586 CB ASN A 37 -4.557 11.096 2.631 1.00 0.00 C ATOM 587 CG ASN A 37 -5.905 11.477 2.025 1.00 0.00 C ATOM 588 OD1 ASN A 37 -6.105 11.335 0.819 1.00 0.00 O ATOM 589 ND2 ASN A 37 -6.841 11.957 2.794 1.00 0.00 N ATOM 0 H ASN A 37 -5.095 8.712 2.349 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.857 10.596 0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.709 10.579 3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.980 11.995 2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.744 12.217 2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.671 12.073 3.793 1.00 0.00 H new ATOM 596 N ILE A 38 -1.990 9.337 3.061 1.00 0.00 N ATOM 597 CA ILE A 38 -0.615 9.233 3.542 1.00 0.00 C ATOM 598 C ILE A 38 0.299 8.710 2.436 1.00 0.00 C ATOM 599 O ILE A 38 1.393 9.234 2.224 1.00 0.00 O ATOM 600 CB ILE A 38 -0.556 8.293 4.750 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.289 8.933 5.934 1.00 0.00 C ATOM 602 CG2 ILE A 38 0.906 8.045 5.136 1.00 0.00 C ATOM 603 CD1 ILE A 38 -1.475 7.893 7.040 1.00 0.00 C ATOM 0 H ILE A 38 -2.657 8.734 3.543 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.274 10.225 3.839 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.032 7.347 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.720 9.783 6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.258 9.315 5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.947 7.376 5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.432 7.590 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.381 8.993 5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.996 8.347 7.883 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.061 7.057 6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.500 7.532 7.368 1.00 0.00 H new ATOM 615 N LEU A 39 -0.160 7.683 1.731 1.00 0.00 N ATOM 616 CA LEU A 39 0.623 7.106 0.643 1.00 0.00 C ATOM 617 C LEU A 39 0.824 8.130 -0.469 1.00 0.00 C ATOM 618 O LEU A 39 1.898 8.210 -1.067 1.00 0.00 O ATOM 619 CB LEU A 39 -0.084 5.851 0.094 1.00 0.00 C ATOM 620 CG LEU A 39 0.356 4.607 0.875 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.004 4.759 2.351 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.359 3.382 0.311 1.00 0.00 C ATOM 0 H LEU A 39 -1.062 7.235 1.890 1.00 0.00 H new ATOM 0 HA LEU A 39 1.602 6.820 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.165 5.972 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.150 5.727 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 39 1.435 4.488 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.322 3.869 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.512 5.633 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.074 4.883 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.050 2.494 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.437 3.513 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.102 3.263 -0.741 1.00 0.00 H new ATOM 634 N LYS A 40 -0.212 8.904 -0.749 1.00 0.00 N ATOM 635 CA LYS A 40 -0.131 9.911 -1.796 1.00 0.00 C ATOM 636 C LYS A 40 0.972 10.915 -1.480 1.00 0.00 C ATOM 637 O LYS A 40 1.697 11.354 -2.372 1.00 0.00 O ATOM 638 CB LYS A 40 -1.472 10.631 -1.928 1.00 0.00 C ATOM 639 CG LYS A 40 -1.419 11.592 -3.116 1.00 0.00 C ATOM 640 CD LYS A 40 -2.792 12.232 -3.317 1.00 0.00 C ATOM 641 CE LYS A 40 -2.744 13.174 -4.520 1.00 0.00 C ATOM 642 NZ LYS A 40 -4.099 13.755 -4.749 1.00 0.00 N ATOM 0 H LYS A 40 -1.112 8.856 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 40 0.105 9.419 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.274 9.906 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.694 11.179 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.669 12.363 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.120 11.057 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.545 11.460 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.083 12.782 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.020 13.970 -4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.414 12.633 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.068 14.396 -5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.778 12.990 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.397 14.285 -3.905 1.00 0.00 H new ATOM 656 N SER A 41 1.101 11.266 -0.204 1.00 0.00 N ATOM 657 CA SER A 41 2.127 12.208 0.220 1.00 0.00 C ATOM 658 C SER A 41 3.520 11.663 -0.087 1.00 0.00 C ATOM 659 O SER A 41 4.428 12.415 -0.445 1.00 0.00 O ATOM 660 CB SER A 41 1.999 12.479 1.719 1.00 0.00 C ATOM 661 OG SER A 41 0.846 13.277 1.955 1.00 0.00 O ATOM 0 H SER A 41 0.511 10.914 0.549 1.00 0.00 H new ATOM 0 HA SER A 41 1.988 13.139 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.923 11.539 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.890 12.989 2.085 1.00 0.00 H new ATOM 0 HG SER A 41 0.760 13.451 2.916 1.00 0.00 H new ATOM 667 N LEU A 42 3.680 10.352 0.056 1.00 0.00 N ATOM 668 CA LEU A 42 4.964 9.714 -0.206 1.00 0.00 C ATOM 669 C LEU A 42 5.257 9.691 -1.701 1.00 0.00 C ATOM 670 O LEU A 42 4.344 9.604 -2.523 1.00 0.00 O ATOM 671 CB LEU A 42 4.954 8.283 0.332 1.00 0.00 C ATOM 672 CG LEU A 42 4.636 8.292 1.832 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.551 6.849 2.334 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.738 9.043 2.601 1.00 0.00 C ATOM 0 H LEU A 42 2.941 9.714 0.350 1.00 0.00 H new ATOM 0 HA LEU A 42 5.742 10.288 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.212 7.689 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.922 7.813 0.159 1.00 0.00 H new ATOM 0 HG LEU A 42 3.685 8.798 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.325 6.847 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.763 6.322 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.504 6.348 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.503 9.044 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.696 8.547 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.797 10.070 2.242 1.00 0.00 H new ATOM 686 N ASP A 43 6.541 9.773 -2.046 1.00 0.00 N ATOM 687 CA ASP A 43 6.963 9.758 -3.445 1.00 0.00 C ATOM 688 C ASP A 43 7.561 8.403 -3.801 1.00 0.00 C ATOM 689 O ASP A 43 8.158 7.735 -2.956 1.00 0.00 O ATOM 690 CB ASP A 43 8.000 10.857 -3.689 1.00 0.00 C ATOM 691 CG ASP A 43 9.244 10.601 -2.845 1.00 0.00 C ATOM 692 OD1 ASP A 43 9.218 9.674 -2.052 1.00 0.00 O ATOM 693 OD2 ASP A 43 10.206 11.334 -3.005 1.00 0.00 O ATOM 0 H ASP A 43 7.306 9.850 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 43 6.091 9.938 -4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.268 10.887 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.576 11.830 -3.440 1.00 0.00 H new ATOM 698 N GLY A 44 7.394 8.004 -5.058 1.00 0.00 N ATOM 699 CA GLY A 44 7.913 6.724 -5.537 1.00 0.00 C ATOM 700 C GLY A 44 6.803 5.685 -5.613 1.00 0.00 C ATOM 701 O GLY A 44 6.908 4.704 -6.350 1.00 0.00 O ATOM 0 H GLY A 44 6.902 8.549 -5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.363 6.854 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.701 6.373 -4.870 1.00 0.00 H new ATOM 705 N VAL A 45 5.730 5.906 -4.858 1.00 0.00 N ATOM 706 CA VAL A 45 4.606 4.976 -4.864 1.00 0.00 C ATOM 707 C VAL A 45 3.834 5.083 -6.176 1.00 0.00 C ATOM 708 O VAL A 45 3.481 6.177 -6.614 1.00 0.00 O ATOM 709 CB VAL A 45 3.668 5.284 -3.699 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.462 5.282 -2.391 1.00 0.00 C ATOM 711 CG2 VAL A 45 3.032 6.660 -3.909 1.00 0.00 C ATOM 0 H VAL A 45 5.616 6.711 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 45 4.995 3.963 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 45 2.886 4.526 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.793 5.502 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.916 4.302 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.243 6.041 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.362 6.882 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.813 7.418 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.467 6.661 -4.841 1.00 0.00 H new ATOM 721 N LYS A 46 3.581 3.936 -6.799 1.00 0.00 N ATOM 722 CA LYS A 46 2.854 3.899 -8.066 1.00 0.00 C ATOM 723 C LYS A 46 1.362 3.681 -7.825 1.00 0.00 C ATOM 724 O LYS A 46 0.524 4.422 -8.341 1.00 0.00 O ATOM 725 CB LYS A 46 3.416 2.765 -8.944 1.00 0.00 C ATOM 726 CG LYS A 46 4.596 3.282 -9.788 1.00 0.00 C ATOM 727 CD LYS A 46 4.079 3.959 -11.072 1.00 0.00 C ATOM 728 CE LYS A 46 3.904 2.915 -12.181 1.00 0.00 C ATOM 729 NZ LYS A 46 3.186 3.528 -13.333 1.00 0.00 N ATOM 0 H LYS A 46 3.867 3.022 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 46 2.982 4.854 -8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.744 1.937 -8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.634 2.379 -9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.185 3.991 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.257 2.455 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.128 4.454 -10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.779 4.730 -11.394 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.877 2.543 -12.502 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.344 2.059 -11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.068 2.819 -14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.252 3.862 -13.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.737 4.331 -13.698 1.00 0.00 H new ATOM 743 N GLU A 47 1.037 2.657 -7.046 1.00 0.00 N ATOM 744 CA GLU A 47 -0.357 2.347 -6.754 1.00 0.00 C ATOM 745 C GLU A 47 -0.477 1.609 -5.427 1.00 0.00 C ATOM 746 O GLU A 47 0.496 1.051 -4.923 1.00 0.00 O ATOM 747 CB GLU A 47 -0.942 1.491 -7.877 1.00 0.00 C ATOM 748 CG GLU A 47 0.054 0.391 -8.253 1.00 0.00 C ATOM 749 CD GLU A 47 -0.576 -0.553 -9.273 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.778 -0.748 -9.208 1.00 0.00 O ATOM 751 OE2 GLU A 47 0.156 -1.068 -10.103 1.00 0.00 O ATOM 0 H GLU A 47 1.713 2.032 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.913 3.282 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.885 1.048 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.160 2.112 -8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.960 0.834 -8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.348 -0.165 -7.363 1.00 0.00 H new ATOM 758 N TYR A 48 -1.681 1.614 -4.871 1.00 0.00 N ATOM 759 CA TYR A 48 -1.934 0.944 -3.603 1.00 0.00 C ATOM 760 C TYR A 48 -3.424 0.723 -3.397 1.00 0.00 C ATOM 761 O TYR A 48 -4.254 1.359 -4.046 1.00 0.00 O ATOM 762 CB TYR A 48 -1.363 1.772 -2.449 1.00 0.00 C ATOM 763 CG TYR A 48 -1.768 3.216 -2.626 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.077 3.614 -2.340 1.00 0.00 C ATOM 765 CD2 TYR A 48 -0.833 4.153 -3.083 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.453 4.952 -2.509 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.209 5.490 -3.252 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.519 5.890 -2.965 1.00 0.00 C ATOM 769 OH TYR A 48 -2.891 7.209 -3.132 1.00 0.00 O ATOM 0 H TYR A 48 -2.496 2.074 -5.277 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.442 -0.028 -3.624 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.732 1.393 -1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.277 1.687 -2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.798 2.890 -1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.178 3.844 -3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.464 5.261 -2.288 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.488 6.213 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.969 7.640 -2.255 1.00 0.00 H new ATOM 779 N SER A 49 -3.756 -0.184 -2.484 1.00 0.00 N ATOM 780 CA SER A 49 -5.152 -0.488 -2.189 1.00 0.00 C ATOM 781 C SER A 49 -5.304 -0.922 -0.735 1.00 0.00 C ATOM 782 O SER A 49 -4.448 -1.621 -0.194 1.00 0.00 O ATOM 783 CB SER A 49 -5.645 -1.605 -3.111 1.00 0.00 C ATOM 784 OG SER A 49 -7.067 -1.604 -3.129 1.00 0.00 O ATOM 0 H SER A 49 -3.081 -0.719 -1.938 1.00 0.00 H new ATOM 0 HA SER A 49 -5.748 0.410 -2.354 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.257 -1.459 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.275 -2.569 -2.764 1.00 0.00 H new ATOM 0 HG SER A 49 -7.387 -2.317 -3.720 1.00 0.00 H new ATOM 790 N VAL A 50 -6.401 -0.505 -0.106 1.00 0.00 N ATOM 791 CA VAL A 50 -6.661 -0.860 1.289 1.00 0.00 C ATOM 792 C VAL A 50 -7.630 -2.030 1.362 1.00 0.00 C ATOM 793 O VAL A 50 -8.774 -1.931 0.910 1.00 0.00 O ATOM 794 CB VAL A 50 -7.254 0.340 2.026 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.150 0.115 3.537 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.480 1.602 1.644 1.00 0.00 C ATOM 0 H VAL A 50 -7.121 0.076 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.720 -1.147 1.759 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.302 0.456 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.573 0.971 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.700 -0.786 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.103 -0.001 3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.901 2.460 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.433 1.485 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.554 1.762 0.568 1.00 0.00 H new ATOM 806 N ILE A 51 -7.167 -3.139 1.939 1.00 0.00 N ATOM 807 CA ILE A 51 -8.000 -4.333 2.073 1.00 0.00 C ATOM 808 C ILE A 51 -8.372 -4.550 3.532 1.00 0.00 C ATOM 809 O ILE A 51 -7.670 -5.244 4.276 1.00 0.00 O ATOM 810 CB ILE A 51 -7.255 -5.563 1.548 1.00 0.00 C ATOM 811 CG1 ILE A 51 -6.806 -5.311 0.113 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.180 -6.785 1.569 1.00 0.00 C ATOM 813 CD1 ILE A 51 -5.903 -6.458 -0.337 1.00 0.00 C ATOM 0 H ILE A 51 -6.225 -3.235 2.319 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.907 -4.188 1.487 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.390 -5.750 2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.672 -5.234 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.271 -4.363 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.642 -7.655 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.509 -6.975 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.048 -6.595 0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.578 -6.284 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.032 -6.512 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.454 -7.397 -0.285 1.00 0.00 H new ATOM 825 N VAL A 52 -9.513 -3.978 3.911 1.00 0.00 N ATOM 826 CA VAL A 52 -10.040 -4.119 5.259 1.00 0.00 C ATOM 827 C VAL A 52 -10.649 -5.517 5.440 1.00 0.00 C ATOM 828 O VAL A 52 -10.590 -6.081 6.537 1.00 0.00 O ATOM 829 CB VAL A 52 -11.102 -3.002 5.567 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.109 -1.940 4.457 1.00 0.00 C ATOM 831 CG2 VAL A 52 -12.532 -3.585 5.720 1.00 0.00 C ATOM 0 H VAL A 52 -10.092 -3.408 3.294 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.220 -4.000 5.967 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.813 -2.546 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.851 -1.176 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.123 -1.480 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.358 -2.410 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.233 -2.778 5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.822 -4.084 4.796 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.546 -4.303 6.540 1.00 0.00 H new ATOM 841 N PRO A 53 -11.248 -6.080 4.405 1.00 0.00 N ATOM 842 CA PRO A 53 -11.906 -7.420 4.500 1.00 0.00 C ATOM 843 C PRO A 53 -10.954 -8.500 5.013 1.00 0.00 C ATOM 844 O PRO A 53 -11.353 -9.381 5.775 1.00 0.00 O ATOM 845 CB PRO A 53 -12.365 -7.715 3.058 1.00 0.00 C ATOM 846 CG PRO A 53 -12.456 -6.376 2.399 1.00 0.00 C ATOM 847 CD PRO A 53 -11.347 -5.540 3.031 1.00 0.00 C ATOM 0 HA PRO A 53 -12.730 -7.418 5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.655 -8.361 2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.327 -8.226 3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.321 -6.458 1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.433 -5.922 2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.407 -5.645 2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.596 -4.479 3.034 1.00 0.00 H new ATOM 855 N SER A 54 -9.698 -8.419 4.584 1.00 0.00 N ATOM 856 CA SER A 54 -8.680 -9.389 4.989 1.00 0.00 C ATOM 857 C SER A 54 -7.640 -8.730 5.888 1.00 0.00 C ATOM 858 O SER A 54 -6.662 -9.364 6.284 1.00 0.00 O ATOM 859 CB SER A 54 -7.996 -9.960 3.748 1.00 0.00 C ATOM 860 OG SER A 54 -7.227 -8.940 3.121 1.00 0.00 O ATOM 0 H SER A 54 -9.358 -7.691 3.955 1.00 0.00 H new ATOM 0 HA SER A 54 -9.163 -10.192 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.354 -10.796 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.742 -10.347 3.054 1.00 0.00 H new ATOM 0 HG SER A 54 -6.329 -8.920 3.512 1.00 0.00 H new ATOM 866 N ARG A 55 -7.857 -7.459 6.206 1.00 0.00 N ATOM 867 CA ARG A 55 -6.931 -6.725 7.061 1.00 0.00 C ATOM 868 C ARG A 55 -5.519 -6.772 6.490 1.00 0.00 C ATOM 869 O ARG A 55 -4.571 -7.142 7.183 1.00 0.00 O ATOM 870 CB ARG A 55 -6.929 -7.327 8.467 1.00 0.00 C ATOM 871 CG ARG A 55 -8.275 -7.061 9.141 1.00 0.00 C ATOM 872 CD ARG A 55 -8.281 -7.701 10.530 1.00 0.00 C ATOM 873 NE ARG A 55 -9.552 -7.446 11.197 1.00 0.00 N ATOM 874 CZ ARG A 55 -9.702 -7.668 12.497 1.00 0.00 C ATOM 875 NH1 ARG A 55 -8.704 -8.128 13.200 1.00 0.00 N ATOM 876 NH2 ARG A 55 -10.849 -7.427 13.072 1.00 0.00 N ATOM 0 H ARG A 55 -8.661 -6.918 5.887 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.259 -5.687 7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.743 -8.400 8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.123 -6.893 9.058 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.448 -5.988 9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.084 -7.470 8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.116 -8.775 10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.462 -7.300 11.127 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.340 -7.091 10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.808 -8.317 12.751 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.820 -8.298 14.199 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.630 -7.068 12.522 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.964 -7.598 14.071 1.00 0.00 H new ATOM 890 N THR A 56 -5.386 -6.393 5.221 1.00 0.00 N ATOM 891 CA THR A 56 -4.084 -6.389 4.557 1.00 0.00 C ATOM 892 C THR A 56 -3.901 -5.103 3.760 1.00 0.00 C ATOM 893 O THR A 56 -4.873 -4.464 3.360 1.00 0.00 O ATOM 894 CB THR A 56 -3.978 -7.592 3.616 1.00 0.00 C ATOM 895 OG1 THR A 56 -4.194 -8.789 4.354 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.586 -7.624 2.983 1.00 0.00 C ATOM 0 H THR A 56 -6.161 -6.086 4.633 1.00 0.00 H new ATOM 0 HA THR A 56 -3.304 -6.451 5.316 1.00 0.00 H new ATOM 0 HB THR A 56 -4.730 -7.509 2.831 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.128 -9.560 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.511 -8.481 2.313 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.422 -6.706 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.832 -7.708 3.766 1.00 0.00 H new ATOM 904 N VAL A 57 -2.643 -4.729 3.532 1.00 0.00 N ATOM 905 CA VAL A 57 -2.328 -3.517 2.775 1.00 0.00 C ATOM 906 C VAL A 57 -1.351 -3.842 1.653 1.00 0.00 C ATOM 907 O VAL A 57 -0.347 -4.523 1.869 1.00 0.00 O ATOM 908 CB VAL A 57 -1.718 -2.463 3.704 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.189 -1.284 2.880 1.00 0.00 C ATOM 910 CG2 VAL A 57 -2.788 -1.965 4.680 1.00 0.00 C ATOM 0 H VAL A 57 -1.827 -5.246 3.859 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.248 -3.123 2.343 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.893 -2.909 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.757 -0.539 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.425 -1.638 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.009 -0.836 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.356 -1.215 5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.613 -1.524 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.158 -2.802 5.272 1.00 0.00 H new ATOM 920 N ILE A 58 -1.648 -3.342 0.457 1.00 0.00 N ATOM 921 CA ILE A 58 -0.790 -3.569 -0.705 1.00 0.00 C ATOM 922 C ILE A 58 -0.404 -2.243 -1.342 1.00 0.00 C ATOM 923 O ILE A 58 -1.258 -1.402 -1.625 1.00 0.00 O ATOM 924 CB ILE A 58 -1.521 -4.435 -1.733 1.00 0.00 C ATOM 925 CG1 ILE A 58 -0.590 -4.725 -2.913 1.00 0.00 C ATOM 926 CG2 ILE A 58 -2.772 -3.707 -2.231 1.00 0.00 C ATOM 927 CD1 ILE A 58 -1.297 -5.647 -3.905 1.00 0.00 C ATOM 0 H ILE A 58 -2.475 -2.777 0.266 1.00 0.00 H new ATOM 0 HA ILE A 58 0.113 -4.083 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.817 -5.374 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.307 -3.794 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.329 -5.191 -2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.288 -4.329 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.437 -3.509 -1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.484 -2.764 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.634 -5.854 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.558 -6.582 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.204 -5.164 -4.268 1.00 0.00 H new ATOM 939 N VAL A 59 0.893 -2.067 -1.570 1.00 0.00 N ATOM 940 CA VAL A 59 1.405 -0.844 -2.185 1.00 0.00 C ATOM 941 C VAL A 59 2.612 -1.155 -3.060 1.00 0.00 C ATOM 942 O VAL A 59 3.496 -1.917 -2.672 1.00 0.00 O ATOM 943 CB VAL A 59 1.788 0.166 -1.098 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.687 -0.515 -0.070 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.533 1.352 -1.724 1.00 0.00 C ATOM 0 H VAL A 59 1.610 -2.754 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 59 0.624 -0.413 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 59 0.883 0.530 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.961 0.201 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.154 -1.352 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.589 -0.881 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.802 2.065 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.437 0.995 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.890 1.840 -2.456 1.00 0.00 H new ATOM 955 N VAL A 60 2.650 -0.541 -4.242 1.00 0.00 N ATOM 956 CA VAL A 60 3.761 -0.737 -5.169 1.00 0.00 C ATOM 957 C VAL A 60 4.629 0.514 -5.206 1.00 0.00 C ATOM 958 O VAL A 60 4.140 1.617 -5.451 1.00 0.00 O ATOM 959 CB VAL A 60 3.228 -1.032 -6.571 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.403 -1.240 -7.526 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.371 -2.300 -6.532 1.00 0.00 C ATOM 0 H VAL A 60 1.926 0.094 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 60 4.359 -1.582 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 60 2.622 -0.194 -6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.026 -1.451 -8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.015 -0.339 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.007 -2.079 -7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.990 -2.512 -7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.977 -3.138 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.535 -2.153 -5.848 1.00 0.00 H new ATOM 971 N HIS A 61 5.919 0.332 -4.955 1.00 0.00 N ATOM 972 CA HIS A 61 6.861 1.446 -4.948 1.00 0.00 C ATOM 973 C HIS A 61 8.279 0.949 -5.225 1.00 0.00 C ATOM 974 O HIS A 61 8.579 -0.232 -5.044 1.00 0.00 O ATOM 975 CB HIS A 61 6.817 2.150 -3.588 1.00 0.00 C ATOM 976 CG HIS A 61 7.476 1.286 -2.544 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.795 1.467 -2.155 1.00 0.00 N ATOM 978 CD2 HIS A 61 7.011 0.228 -1.807 1.00 0.00 C ATOM 979 CE1 HIS A 61 9.073 0.540 -1.222 1.00 0.00 C ATOM 980 NE2 HIS A 61 8.020 -0.242 -0.971 1.00 0.00 N ATOM 0 H HIS A 61 6.338 -0.576 -4.753 1.00 0.00 H new ATOM 0 HA HIS A 61 6.578 2.149 -5.732 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.325 3.112 -3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.784 2.352 -3.306 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.437 2.175 -2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.013 -0.179 -1.866 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.032 0.440 -0.735 1.00 0.00 H new ATOM 989 N ASP A 62 9.147 1.860 -5.651 1.00 0.00 N ATOM 990 CA ASP A 62 10.535 1.510 -5.940 1.00 0.00 C ATOM 991 C ASP A 62 11.376 1.590 -4.670 1.00 0.00 C ATOM 992 O ASP A 62 11.518 2.658 -4.074 1.00 0.00 O ATOM 993 CB ASP A 62 11.104 2.467 -6.989 1.00 0.00 C ATOM 994 CG ASP A 62 12.381 1.886 -7.587 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.843 0.876 -7.081 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.878 2.458 -8.543 1.00 0.00 O ATOM 0 H ASP A 62 8.917 2.842 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 62 10.565 0.490 -6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.369 2.636 -7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.313 3.435 -6.534 1.00 0.00 H new ATOM 1001 N SER A 63 11.931 0.456 -4.264 1.00 0.00 N ATOM 1002 CA SER A 63 12.751 0.409 -3.061 1.00 0.00 C ATOM 1003 C SER A 63 13.873 1.439 -3.139 1.00 0.00 C ATOM 1004 O SER A 63 14.409 1.864 -2.116 1.00 0.00 O ATOM 1005 CB SER A 63 13.352 -0.989 -2.899 1.00 0.00 C ATOM 1006 OG SER A 63 14.481 -0.917 -2.035 1.00 0.00 O ATOM 0 H SER A 63 11.830 -0.437 -4.746 1.00 0.00 H new ATOM 0 HA SER A 63 12.121 0.638 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.608 -1.672 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.647 -1.386 -3.870 1.00 0.00 H new ATOM 0 HG SER A 63 14.868 -1.811 -1.927 1.00 0.00 H new ATOM 1012 N LEU A 64 14.226 1.839 -4.357 1.00 0.00 N ATOM 1013 CA LEU A 64 15.285 2.816 -4.545 1.00 0.00 C ATOM 1014 C LEU A 64 14.797 4.213 -4.174 1.00 0.00 C ATOM 1015 O LEU A 64 15.400 4.890 -3.340 1.00 0.00 O ATOM 1016 CB LEU A 64 15.726 2.799 -6.010 1.00 0.00 C ATOM 1017 CG LEU A 64 16.380 1.450 -6.348 1.00 0.00 C ATOM 1018 CD1 LEU A 64 16.508 1.319 -7.869 1.00 0.00 C ATOM 1019 CD2 LEU A 64 17.774 1.351 -5.709 1.00 0.00 C ATOM 0 H LEU A 64 13.797 1.503 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 64 16.125 2.560 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.867 2.968 -6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.430 3.610 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 64 15.757 0.647 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.972 0.363 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.518 1.369 -8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.125 2.131 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.221 0.389 -5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.406 2.155 -6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.685 1.439 -4.626 1.00 0.00 H new ATOM 1031 N LEU A 65 13.704 4.640 -4.795 1.00 0.00 N ATOM 1032 CA LEU A 65 13.150 5.960 -4.519 1.00 0.00 C ATOM 1033 C LEU A 65 12.657 6.041 -3.080 1.00 0.00 C ATOM 1034 O LEU A 65 12.882 7.035 -2.391 1.00 0.00 O ATOM 1035 CB LEU A 65 11.991 6.244 -5.473 1.00 0.00 C ATOM 1036 CG LEU A 65 12.523 6.373 -6.909 1.00 0.00 C ATOM 1037 CD1 LEU A 65 11.349 6.323 -7.890 1.00 0.00 C ATOM 1038 CD2 LEU A 65 13.289 7.701 -7.088 1.00 0.00 C ATOM 0 H LEU A 65 13.188 4.097 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 65 13.934 6.703 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.256 5.441 -5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.482 7.162 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 65 13.207 5.548 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.723 6.414 -8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.823 5.375 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.664 7.144 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.658 7.773 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.620 8.537 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.131 7.732 -6.396 1.00 0.00 H new ATOM 1050 N ILE A 66 11.984 4.988 -2.633 1.00 0.00 N ATOM 1051 CA ILE A 66 11.462 4.946 -1.273 1.00 0.00 C ATOM 1052 C ILE A 66 11.455 3.521 -0.754 1.00 0.00 C ATOM 1053 O ILE A 66 11.030 2.598 -1.449 1.00 0.00 O ATOM 1054 CB ILE A 66 10.045 5.511 -1.241 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.552 5.556 0.206 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.113 4.628 -2.077 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.256 6.363 0.279 1.00 0.00 C ATOM 0 H ILE A 66 11.788 4.156 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 66 12.106 5.551 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 66 10.047 6.518 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.384 4.544 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.310 6.007 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.103 5.037 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.466 4.600 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.106 3.617 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.905 6.395 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.439 7.378 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.499 5.892 -0.348 1.00 0.00 H new ATOM 1069 N SER A 67 11.934 3.339 0.473 1.00 0.00 N ATOM 1070 CA SER A 67 11.984 2.003 1.070 1.00 0.00 C ATOM 1071 C SER A 67 10.713 1.717 1.874 1.00 0.00 C ATOM 1072 O SER A 67 9.982 2.642 2.237 1.00 0.00 O ATOM 1073 CB SER A 67 13.215 1.876 1.981 1.00 0.00 C ATOM 1074 OG SER A 67 12.815 1.985 3.343 1.00 0.00 O ATOM 0 H SER A 67 12.289 4.087 1.069 1.00 0.00 H new ATOM 0 HA SER A 67 12.056 1.273 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.708 0.919 1.812 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.939 2.654 1.741 1.00 0.00 H new ATOM 0 HG SER A 67 13.601 1.902 3.922 1.00 0.00 H new ATOM 1080 N PRO A 68 10.439 0.464 2.169 1.00 0.00 N ATOM 1081 CA PRO A 68 9.231 0.066 2.963 1.00 0.00 C ATOM 1082 C PRO A 68 9.174 0.771 4.322 1.00 0.00 C ATOM 1083 O PRO A 68 8.094 1.083 4.828 1.00 0.00 O ATOM 1084 CB PRO A 68 9.391 -1.455 3.147 1.00 0.00 C ATOM 1085 CG PRO A 68 10.296 -1.891 2.044 1.00 0.00 C ATOM 1086 CD PRO A 68 11.238 -0.717 1.780 1.00 0.00 C ATOM 0 HA PRO A 68 8.306 0.344 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.817 -1.691 4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.428 -1.962 3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.855 -2.783 2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.727 -2.143 1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.151 -0.795 2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.538 -0.671 0.733 1.00 0.00 H new ATOM 1094 N PHE A 69 10.343 1.003 4.912 1.00 0.00 N ATOM 1095 CA PHE A 69 10.416 1.650 6.217 1.00 0.00 C ATOM 1096 C PHE A 69 9.722 3.004 6.187 1.00 0.00 C ATOM 1097 O PHE A 69 9.030 3.376 7.134 1.00 0.00 O ATOM 1098 CB PHE A 69 11.878 1.835 6.630 1.00 0.00 C ATOM 1099 CG PHE A 69 12.496 0.491 6.932 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.390 -0.057 8.215 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.177 -0.208 5.927 1.00 0.00 C ATOM 1102 CE1 PHE A 69 12.964 -1.302 8.496 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.753 -1.454 6.207 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.647 -2.000 7.492 1.00 0.00 C ATOM 0 H PHE A 69 11.247 0.754 4.510 1.00 0.00 H new ATOM 0 HA PHE A 69 9.911 1.012 6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.432 2.329 5.832 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.939 2.479 7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.864 0.482 8.990 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.258 0.214 4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.880 -1.724 9.486 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.278 -1.993 5.432 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.092 -2.960 7.709 1.00 0.00 H new ATOM 1114 N GLN A 70 9.908 3.739 5.099 1.00 0.00 N ATOM 1115 CA GLN A 70 9.292 5.050 4.969 1.00 0.00 C ATOM 1116 C GLN A 70 7.773 4.924 4.944 1.00 0.00 C ATOM 1117 O GLN A 70 7.065 5.709 5.574 1.00 0.00 O ATOM 1118 CB GLN A 70 9.779 5.720 3.681 1.00 0.00 C ATOM 1119 CG GLN A 70 9.216 7.138 3.578 1.00 0.00 C ATOM 1120 CD GLN A 70 9.769 8.004 4.706 1.00 0.00 C ATOM 1121 OE1 GLN A 70 10.927 7.854 5.092 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.007 8.909 5.258 1.00 0.00 N ATOM 0 H GLN A 70 10.475 3.452 4.301 1.00 0.00 H new ATOM 0 HA GLN A 70 9.576 5.660 5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.868 5.752 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.467 5.133 2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.478 7.573 2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.128 7.110 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.047 9.032 4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.372 9.493 6.011 1.00 0.00 H new ATOM 1131 N ILE A 71 7.275 3.938 4.205 1.00 0.00 N ATOM 1132 CA ILE A 71 5.835 3.734 4.103 1.00 0.00 C ATOM 1133 C ILE A 71 5.248 3.365 5.462 1.00 0.00 C ATOM 1134 O ILE A 71 4.208 3.887 5.862 1.00 0.00 O ATOM 1135 CB ILE A 71 5.539 2.624 3.091 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.928 3.097 1.689 1.00 0.00 C ATOM 1137 CG2 ILE A 71 4.044 2.290 3.112 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.902 1.910 0.724 1.00 0.00 C ATOM 0 H ILE A 71 7.840 3.275 3.674 1.00 0.00 H new ATOM 0 HA ILE A 71 5.375 4.663 3.766 1.00 0.00 H new ATOM 0 HB ILE A 71 6.114 1.736 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.238 3.870 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.922 3.543 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.838 1.500 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.760 1.954 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.469 3.179 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.179 2.247 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.609 1.152 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.899 1.484 0.698 1.00 0.00 H new ATOM 1150 N ALA A 72 5.920 2.461 6.163 1.00 0.00 N ATOM 1151 CA ALA A 72 5.452 2.028 7.475 1.00 0.00 C ATOM 1152 C ALA A 72 5.550 3.163 8.485 1.00 0.00 C ATOM 1153 O ALA A 72 4.667 3.343 9.322 1.00 0.00 O ATOM 1154 CB ALA A 72 6.284 0.841 7.955 1.00 0.00 C ATOM 0 H ALA A 72 6.783 2.016 5.850 1.00 0.00 H new ATOM 0 HA ALA A 72 4.407 1.730 7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.930 0.522 8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.185 0.018 7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.331 1.135 8.025 1.00 0.00 H new ATOM 1160 N LYS A 73 6.632 3.924 8.399 1.00 0.00 N ATOM 1161 CA LYS A 73 6.843 5.039 9.309 1.00 0.00 C ATOM 1162 C LYS A 73 5.770 6.100 9.109 1.00 0.00 C ATOM 1163 O LYS A 73 5.300 6.705 10.069 1.00 0.00 O ATOM 1164 CB LYS A 73 8.224 5.650 9.071 1.00 0.00 C ATOM 1165 CG LYS A 73 8.498 6.726 10.130 1.00 0.00 C ATOM 1166 CD LYS A 73 9.885 7.345 9.909 1.00 0.00 C ATOM 1167 CE LYS A 73 10.981 6.402 10.423 1.00 0.00 C ATOM 1168 NZ LYS A 73 12.289 7.119 10.415 1.00 0.00 N ATOM 0 H LYS A 73 7.374 3.790 7.712 1.00 0.00 H new ATOM 0 HA LYS A 73 6.783 4.669 10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.989 4.875 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.273 6.086 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.733 7.501 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.441 6.289 11.127 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.036 7.544 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.949 8.303 10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.744 6.065 11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.036 5.513 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.035 6.484 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.514 7.420 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.231 7.955 11.032 1.00 0.00 H new ATOM 1182 N ALA A 74 5.390 6.326 7.854 1.00 0.00 N ATOM 1183 CA ALA A 74 4.376 7.325 7.544 1.00 0.00 C ATOM 1184 C ALA A 74 3.043 6.956 8.183 1.00 0.00 C ATOM 1185 O ALA A 74 2.320 7.818 8.678 1.00 0.00 O ATOM 1186 CB ALA A 74 4.206 7.437 6.026 1.00 0.00 C ATOM 0 H ALA A 74 5.766 5.835 7.043 1.00 0.00 H new ATOM 0 HA ALA A 74 4.701 8.284 7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.447 8.185 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.153 7.733 5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.897 6.473 5.622 1.00 0.00 H new ATOM 1192 N LEU A 75 2.725 5.668 8.169 1.00 0.00 N ATOM 1193 CA LEU A 75 1.475 5.191 8.752 1.00 0.00 C ATOM 1194 C LEU A 75 1.473 5.399 10.263 1.00 0.00 C ATOM 1195 O LEU A 75 0.451 5.751 10.849 1.00 0.00 O ATOM 1196 CB LEU A 75 1.287 3.709 8.433 1.00 0.00 C ATOM 1197 CG LEU A 75 1.080 3.531 6.921 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.110 2.037 6.581 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.267 4.145 6.480 1.00 0.00 C ATOM 0 H LEU A 75 3.310 4.938 7.763 1.00 0.00 H new ATOM 0 HA LEU A 75 0.652 5.761 8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.159 3.142 8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.428 3.315 8.977 1.00 0.00 H new ATOM 0 HG LEU A 75 1.880 4.046 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.964 1.905 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.074 1.617 6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.314 1.525 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.395 4.009 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.082 3.651 7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.276 5.210 6.714 1.00 0.00 H new ATOM 1211 N ASN A 76 2.623 5.167 10.886 1.00 0.00 N ATOM 1212 CA ASN A 76 2.746 5.314 12.332 1.00 0.00 C ATOM 1213 C ASN A 76 2.459 6.752 12.758 1.00 0.00 C ATOM 1214 O ASN A 76 1.902 6.987 13.830 1.00 0.00 O ATOM 1215 CB ASN A 76 4.152 4.920 12.780 1.00 0.00 C ATOM 1216 CG ASN A 76 4.350 3.416 12.627 1.00 0.00 C ATOM 1217 OD1 ASN A 76 5.128 2.961 11.684 1.00 0.00 O flip ATOM 1218 ND2 ASN A 76 3.780 2.635 13.387 1.00 0.00 N flip ATOM 0 H ASN A 76 3.480 4.878 10.415 1.00 0.00 H new ATOM 0 HA ASN A 76 2.016 4.657 12.804 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.894 5.454 12.187 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.306 5.211 13.819 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.172 2.993 14.124 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.915 1.630 13.281 1.00 0.00 H new ATOM 1225 N GLU A 77 2.846 7.709 11.920 1.00 0.00 N ATOM 1226 CA GLU A 77 2.625 9.117 12.236 1.00 0.00 C ATOM 1227 C GLU A 77 1.184 9.348 12.680 1.00 0.00 C ATOM 1228 O GLU A 77 0.924 10.137 13.588 1.00 0.00 O ATOM 1229 CB GLU A 77 2.919 9.979 11.006 1.00 0.00 C ATOM 1230 CG GLU A 77 4.412 9.918 10.675 1.00 0.00 C ATOM 1231 CD GLU A 77 5.217 10.611 11.766 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.643 11.422 12.473 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.395 10.318 11.882 1.00 0.00 O ATOM 0 H GLU A 77 3.309 7.539 11.027 1.00 0.00 H new ATOM 0 HA GLU A 77 3.295 9.396 13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.334 9.628 10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.621 11.010 11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.730 8.880 10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.599 10.397 9.714 1.00 0.00 H new ATOM 1240 N ALA A 78 0.250 8.651 12.042 1.00 0.00 N ATOM 1241 CA ALA A 78 -1.161 8.786 12.390 1.00 0.00 C ATOM 1242 C ALA A 78 -1.443 8.122 13.734 1.00 0.00 C ATOM 1243 O ALA A 78 -2.596 7.864 14.081 1.00 0.00 O ATOM 1244 CB ALA A 78 -2.030 8.146 11.305 1.00 0.00 C ATOM 0 H ALA A 78 0.441 7.992 11.287 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.401 9.847 12.464 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.082 8.251 11.572 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.846 8.642 10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.782 7.088 11.217 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.383 7.841 14.481 1.00 0.00 N ATOM 1251 CA ARG A 79 -0.518 7.197 15.783 1.00 0.00 C ATOM 1252 C ARG A 79 -0.940 5.733 15.618 1.00 0.00 C ATOM 1253 O ARG A 79 -1.663 5.187 16.455 1.00 0.00 O ATOM 1254 CB ARG A 79 -1.563 7.957 16.634 1.00 0.00 C ATOM 1255 CG ARG A 79 -1.111 8.037 18.097 1.00 0.00 C ATOM 1256 CD ARG A 79 -1.044 6.631 18.690 1.00 0.00 C ATOM 1257 NE ARG A 79 -0.659 6.700 20.096 1.00 0.00 N ATOM 1258 CZ ARG A 79 0.617 6.665 20.469 1.00 0.00 C ATOM 1259 NH1 ARG A 79 1.562 6.572 19.570 1.00 0.00 N ATOM 1260 NH2 ARG A 79 0.927 6.727 21.733 1.00 0.00 N ATOM 0 H ARG A 79 0.578 8.048 14.209 1.00 0.00 H new ATOM 0 HA ARG A 79 0.447 7.222 16.289 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.703 8.962 16.235 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.527 7.452 16.572 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.134 8.516 18.161 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.806 8.651 18.670 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.012 6.140 18.593 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.324 6.028 18.137 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.385 6.777 20.809 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.321 6.526 18.580 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.540 6.545 19.859 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.191 6.802 22.435 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.905 6.700 22.020 1.00 0.00 H new ATOM 1274 N LEU A 80 -0.484 5.102 14.539 1.00 0.00 N ATOM 1275 CA LEU A 80 -0.809 3.701 14.278 1.00 0.00 C ATOM 1276 C LEU A 80 0.406 2.823 14.570 1.00 0.00 C ATOM 1277 O LEU A 80 1.385 3.278 15.162 1.00 0.00 O ATOM 1278 CB LEU A 80 -1.258 3.534 12.813 1.00 0.00 C ATOM 1279 CG LEU A 80 -2.766 3.790 12.690 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -3.093 5.198 13.193 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -3.182 3.662 11.225 1.00 0.00 C ATOM 0 H LEU A 80 0.110 5.536 13.833 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.625 3.392 14.931 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.710 4.228 12.176 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.023 2.528 12.465 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.308 3.059 13.290 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.165 5.376 13.104 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.795 5.289 14.238 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.552 5.932 12.596 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.253 3.843 11.134 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.638 4.393 10.627 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.952 2.658 10.868 1.00 0.00 H new ATOM 1293 N GLU A 81 0.322 1.567 14.158 1.00 0.00 N ATOM 1294 CA GLU A 81 1.400 0.610 14.376 1.00 0.00 C ATOM 1295 C GLU A 81 1.507 -0.349 13.193 1.00 0.00 C ATOM 1296 O GLU A 81 1.114 -1.512 13.284 1.00 0.00 O ATOM 1297 CB GLU A 81 1.137 -0.176 15.664 1.00 0.00 C ATOM 1298 CG GLU A 81 -0.341 -0.575 15.732 1.00 0.00 C ATOM 1299 CD GLU A 81 -0.593 -1.418 16.978 1.00 0.00 C ATOM 1300 OE1 GLU A 81 0.374 -1.781 17.628 1.00 0.00 O ATOM 1301 OE2 GLU A 81 -1.747 -1.686 17.266 1.00 0.00 O ATOM 0 H GLU A 81 -0.486 1.184 13.668 1.00 0.00 H new ATOM 0 HA GLU A 81 2.341 1.152 14.469 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.766 -1.066 15.693 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.401 0.429 16.531 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.967 0.317 15.753 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.617 -1.137 14.840 1.00 0.00 H new ATOM 1308 N ALA A 82 2.049 0.148 12.085 1.00 0.00 N ATOM 1309 CA ALA A 82 2.213 -0.670 10.889 1.00 0.00 C ATOM 1310 C ALA A 82 3.465 -1.533 11.007 1.00 0.00 C ATOM 1311 O ALA A 82 4.392 -1.197 11.743 1.00 0.00 O ATOM 1312 CB ALA A 82 2.323 0.224 9.653 1.00 0.00 C ATOM 0 H ALA A 82 2.380 1.108 11.991 1.00 0.00 H new ATOM 0 HA ALA A 82 1.342 -1.317 10.789 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.445 -0.396 8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.418 0.823 9.555 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.185 0.883 9.756 1.00 0.00 H new ATOM 1318 N ASN A 83 3.486 -2.646 10.279 1.00 0.00 N ATOM 1319 CA ASN A 83 4.635 -3.550 10.309 1.00 0.00 C ATOM 1320 C ASN A 83 4.756 -4.294 8.983 1.00 0.00 C ATOM 1321 O ASN A 83 3.755 -4.705 8.404 1.00 0.00 O ATOM 1322 CB ASN A 83 4.471 -4.557 11.453 1.00 0.00 C ATOM 1323 CG ASN A 83 3.857 -3.865 12.661 1.00 0.00 C ATOM 1324 OD1 ASN A 83 4.574 -3.307 13.492 1.00 0.00 O ATOM 1325 ND2 ASN A 83 2.561 -3.860 12.802 1.00 0.00 N ATOM 0 H ASN A 83 2.728 -2.943 9.665 1.00 0.00 H new ATOM 0 HA ASN A 83 5.540 -2.964 10.469 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.837 -5.384 11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.439 -4.982 11.718 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.137 -3.392 13.603 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.971 -4.324 12.111 1.00 0.00 H new ATOM 1332 N VAL A 84 5.983 -4.474 8.510 1.00 0.00 N ATOM 1333 CA VAL A 84 6.208 -5.176 7.250 1.00 0.00 C ATOM 1334 C VAL A 84 6.355 -6.671 7.499 1.00 0.00 C ATOM 1335 O VAL A 84 7.348 -7.119 8.070 1.00 0.00 O ATOM 1336 CB VAL A 84 7.476 -4.648 6.584 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.533 -5.128 5.133 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.467 -3.121 6.618 1.00 0.00 C ATOM 0 H VAL A 84 6.831 -4.148 8.974 1.00 0.00 H new ATOM 0 HA VAL A 84 5.353 -5.004 6.597 1.00 0.00 H new ATOM 0 HB VAL A 84 8.350 -5.020 7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.439 -4.750 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.540 -6.218 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.661 -4.759 4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.372 -2.741 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.593 -2.750 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.430 -2.780 7.653 1.00 0.00 H new ATOM 1348 N ARG A 85 5.358 -7.437 7.066 1.00 0.00 N ATOM 1349 CA ARG A 85 5.380 -8.887 7.245 1.00 0.00 C ATOM 1350 C ARG A 85 5.950 -9.259 8.610 1.00 0.00 C ATOM 1351 O ARG A 85 7.163 -9.393 8.770 1.00 0.00 O ATOM 1352 CB ARG A 85 6.225 -9.536 6.144 1.00 0.00 C ATOM 1353 CG ARG A 85 5.942 -11.050 6.084 1.00 0.00 C ATOM 1354 CD ARG A 85 4.783 -11.334 5.126 1.00 0.00 C ATOM 1355 NE ARG A 85 5.165 -10.976 3.766 1.00 0.00 N ATOM 1356 CZ ARG A 85 5.915 -11.790 3.031 1.00 0.00 C ATOM 1357 NH1 ARG A 85 6.327 -12.925 3.527 1.00 0.00 N ATOM 1358 NH2 ARG A 85 6.245 -11.451 1.814 1.00 0.00 N ATOM 0 H ARG A 85 4.528 -7.081 6.591 1.00 0.00 H new ATOM 0 HA ARG A 85 4.355 -9.253 7.184 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.998 -9.077 5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.284 -9.363 6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.835 -11.581 5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.700 -11.422 7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.512 -12.389 5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.903 -10.766 5.427 1.00 0.00 H new ATOM 0 HE ARG A 85 4.852 -10.088 3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.073 -13.187 4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.903 -13.549 2.962 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.927 -10.562 1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.821 -12.075 1.249 1.00 0.00 H new ATOM 1372 N VAL A 86 5.071 -9.421 9.588 1.00 0.00 N ATOM 1373 CA VAL A 86 5.503 -9.775 10.933 1.00 0.00 C ATOM 1374 C VAL A 86 6.049 -11.199 10.960 1.00 0.00 C ATOM 1375 O VAL A 86 5.434 -12.121 10.425 1.00 0.00 O ATOM 1376 CB VAL A 86 4.328 -9.659 11.905 1.00 0.00 C ATOM 1377 CG1 VAL A 86 3.855 -8.205 11.961 1.00 0.00 C ATOM 1378 CG2 VAL A 86 3.179 -10.548 11.424 1.00 0.00 C ATOM 0 H VAL A 86 4.063 -9.314 9.478 1.00 0.00 H new ATOM 0 HA VAL A 86 6.293 -9.088 11.235 1.00 0.00 H new ATOM 0 HB VAL A 86 4.645 -9.978 12.898 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.017 -8.121 12.654 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.672 -7.569 12.301 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.538 -7.887 10.968 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.341 -10.466 12.116 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.862 -10.228 10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.514 -11.584 11.381 1.00 0.00 H new ATOM 1388 N ASN A 87 7.211 -11.369 11.588 1.00 0.00 N ATOM 1389 CA ASN A 87 7.845 -12.682 11.688 1.00 0.00 C ATOM 1390 C ASN A 87 8.429 -12.890 13.081 1.00 0.00 C ATOM 1391 O ASN A 87 9.356 -12.190 13.486 1.00 0.00 O ATOM 1392 CB ASN A 87 8.957 -12.804 10.645 1.00 0.00 C ATOM 1393 CG ASN A 87 9.626 -14.168 10.759 1.00 0.00 C ATOM 1394 OD1 ASN A 87 10.647 -14.305 11.433 1.00 0.00 O ATOM 1395 ND2 ASN A 87 9.108 -15.193 10.140 1.00 0.00 N ATOM 0 H ASN A 87 7.732 -10.615 12.035 1.00 0.00 H new ATOM 0 HA ASN A 87 7.088 -13.445 11.505 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.545 -12.674 9.644 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.694 -12.014 10.792 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.549 -16.110 10.214 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.262 -15.078 9.582 1.00 0.00 H new ATOM 1402 N GLY A 88 7.877 -13.860 13.808 1.00 0.00 N ATOM 1403 CA GLY A 88 8.342 -14.167 15.160 1.00 0.00 C ATOM 1404 C GLY A 88 9.250 -15.392 15.155 1.00 0.00 C ATOM 1405 O GLY A 88 9.551 -15.957 16.205 1.00 0.00 O ATOM 0 H GLY A 88 7.108 -14.446 13.484 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.880 -13.311 15.567 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.487 -14.345 15.812 1.00 0.00 H new ATOM 1409 N GLU A 89 9.679 -15.801 13.965 1.00 0.00 N ATOM 1410 CA GLU A 89 10.548 -16.965 13.839 1.00 0.00 C ATOM 1411 C GLU A 89 11.896 -16.703 14.503 1.00 0.00 C ATOM 1412 O GLU A 89 12.465 -17.587 15.142 1.00 0.00 O ATOM 1413 CB GLU A 89 10.763 -17.303 12.361 1.00 0.00 C ATOM 1414 CG GLU A 89 11.542 -18.616 12.243 1.00 0.00 C ATOM 1415 CD GLU A 89 11.772 -18.954 10.773 1.00 0.00 C ATOM 1416 OE1 GLU A 89 12.677 -18.382 10.190 1.00 0.00 O ATOM 1417 OE2 GLU A 89 11.042 -19.783 10.256 1.00 0.00 O ATOM 0 H GLU A 89 9.442 -15.348 13.082 1.00 0.00 H new ATOM 0 HA GLU A 89 10.067 -17.807 14.337 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.802 -17.392 11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.310 -16.498 11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.498 -18.529 12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.990 -19.421 12.728 1.00 0.00 H new ATOM 1424 N THR A 90 12.402 -15.480 14.346 1.00 0.00 N ATOM 1425 CA THR A 90 13.690 -15.101 14.933 1.00 0.00 C ATOM 1426 C THR A 90 13.478 -14.164 16.116 1.00 0.00 C ATOM 1427 O THR A 90 12.808 -13.138 15.996 1.00 0.00 O ATOM 1428 CB THR A 90 14.557 -14.405 13.881 1.00 0.00 C ATOM 1429 OG1 THR A 90 13.860 -13.283 13.360 1.00 0.00 O ATOM 1430 CG2 THR A 90 14.869 -15.385 12.749 1.00 0.00 C ATOM 0 H THR A 90 11.943 -14.736 13.820 1.00 0.00 H new ATOM 0 HA THR A 90 14.193 -16.004 15.280 1.00 0.00 H new ATOM 0 HB THR A 90 15.488 -14.072 14.339 1.00 0.00 H new ATOM 0 HG1 THR A 90 13.229 -12.949 14.031 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.486 -14.890 11.999 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.405 -16.245 13.150 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.938 -15.719 12.290 1.00 0.00 H new ATOM 1438 N SER A 91 14.057 -14.526 17.258 1.00 0.00 N ATOM 1439 CA SER A 91 13.930 -13.713 18.464 1.00 0.00 C ATOM 1440 C SER A 91 15.126 -13.934 19.383 1.00 0.00 C ATOM 1441 O SER A 91 15.747 -14.996 19.365 1.00 0.00 O ATOM 1442 CB SER A 91 12.642 -14.076 19.202 1.00 0.00 C ATOM 1443 OG SER A 91 11.539 -13.931 18.318 1.00 0.00 O ATOM 0 H SER A 91 14.615 -15.372 17.373 1.00 0.00 H new ATOM 0 HA SER A 91 13.898 -12.663 18.174 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.696 -15.101 19.570 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.513 -13.432 20.072 1.00 0.00 H new ATOM 0 HG SER A 91 10.711 -14.165 18.787 1.00 0.00 H new ATOM 1449 N PHE A 92 15.442 -12.923 20.187 1.00 0.00 N ATOM 1450 CA PHE A 92 16.564 -13.015 21.115 1.00 0.00 C ATOM 1451 C PHE A 92 16.359 -12.074 22.297 1.00 0.00 C ATOM 1452 O PHE A 92 15.634 -11.084 22.196 1.00 0.00 O ATOM 1453 CB PHE A 92 17.866 -12.661 20.395 1.00 0.00 C ATOM 1454 CG PHE A 92 17.811 -11.223 19.935 1.00 0.00 C ATOM 1455 CD1 PHE A 92 18.258 -10.201 20.780 1.00 0.00 C ATOM 1456 CD2 PHE A 92 17.312 -10.914 18.664 1.00 0.00 C ATOM 1457 CE1 PHE A 92 18.209 -8.869 20.355 1.00 0.00 C ATOM 1458 CE2 PHE A 92 17.262 -9.581 18.239 1.00 0.00 C ATOM 1459 CZ PHE A 92 17.710 -8.559 19.084 1.00 0.00 C ATOM 0 H PHE A 92 14.940 -12.035 20.215 1.00 0.00 H new ATOM 0 HA PHE A 92 16.623 -14.038 21.487 1.00 0.00 H new ATOM 0 HB2 PHE A 92 18.715 -12.808 21.062 1.00 0.00 H new ATOM 0 HB3 PHE A 92 18.013 -13.322 19.541 1.00 0.00 H new ATOM 0 HD1 PHE A 92 18.641 -10.441 21.761 1.00 0.00 H new ATOM 0 HD2 PHE A 92 16.966 -11.703 18.012 1.00 0.00 H new ATOM 0 HE1 PHE A 92 18.556 -8.081 21.007 1.00 0.00 H new ATOM 0 HE2 PHE A 92 16.878 -9.341 17.259 1.00 0.00 H new ATOM 0 HZ PHE A 92 17.671 -7.531 18.756 1.00 0.00 H new ATOM 1469 N LYS A 93 17.001 -12.389 23.415 1.00 0.00 N ATOM 1470 CA LYS A 93 16.883 -11.564 24.612 1.00 0.00 C ATOM 1471 C LYS A 93 17.941 -11.959 25.635 1.00 0.00 C ATOM 1472 O LYS A 93 18.901 -12.658 25.309 1.00 0.00 O ATOM 1473 CB LYS A 93 15.488 -11.726 25.223 1.00 0.00 C ATOM 1474 CG LYS A 93 15.256 -13.193 25.591 1.00 0.00 C ATOM 1475 CD LYS A 93 13.836 -13.365 26.133 1.00 0.00 C ATOM 1476 CE LYS A 93 13.625 -14.821 26.551 1.00 0.00 C ATOM 1477 NZ LYS A 93 13.683 -15.695 25.343 1.00 0.00 N ATOM 0 H LYS A 93 17.605 -13.204 23.519 1.00 0.00 H new ATOM 0 HA LYS A 93 17.035 -10.521 24.332 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.393 -11.099 26.109 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.729 -11.394 24.515 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.402 -13.826 24.716 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.983 -13.511 26.339 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.678 -12.704 26.985 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.108 -13.084 25.372 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.390 -15.120 27.267 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.662 -14.932 27.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.249 -16.615 25.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.166 -15.243 24.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.675 -15.837 25.065 1.00 0.00 H new ATOM 1491 N ASN A 94 17.758 -11.508 26.874 1.00 0.00 N ATOM 1492 CA ASN A 94 18.699 -11.824 27.943 1.00 0.00 C ATOM 1493 C ASN A 94 20.137 -11.672 27.459 1.00 0.00 C ATOM 1494 O ASN A 94 20.971 -12.552 27.670 1.00 0.00 O ATOM 1495 CB ASN A 94 18.471 -13.254 28.441 1.00 0.00 C ATOM 1496 CG ASN A 94 18.864 -14.254 27.362 1.00 0.00 C ATOM 1497 OD1 ASN A 94 18.065 -14.556 26.474 1.00 0.00 O ATOM 1498 ND2 ASN A 94 20.056 -14.784 27.377 1.00 0.00 N ATOM 0 H ASN A 94 16.971 -10.926 27.160 1.00 0.00 H new ATOM 0 HA ASN A 94 18.530 -11.126 28.763 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.058 -13.431 29.343 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.424 -13.391 28.710 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.327 -15.449 26.653 1.00 0.00 H new ATOM 0 HD22 ASN A 94 20.716 -14.533 28.113 1.00 0.00 H new ATOM 1505 N LYS A 95 20.419 -10.549 26.808 1.00 0.00 N ATOM 1506 CA LYS A 95 21.760 -10.291 26.295 1.00 0.00 C ATOM 1507 C LYS A 95 22.759 -10.160 27.440 1.00 0.00 C ATOM 1508 O LYS A 95 23.913 -10.568 27.321 1.00 0.00 O ATOM 1509 CB LYS A 95 21.757 -9.011 25.456 1.00 0.00 C ATOM 1510 CG LYS A 95 21.351 -7.823 26.333 1.00 0.00 C ATOM 1511 CD LYS A 95 21.253 -6.563 25.473 1.00 0.00 C ATOM 1512 CE LYS A 95 21.008 -5.352 26.373 1.00 0.00 C ATOM 1513 NZ LYS A 95 19.737 -5.543 27.129 1.00 0.00 N ATOM 0 H LYS A 95 19.743 -9.808 26.624 1.00 0.00 H new ATOM 0 HA LYS A 95 22.060 -11.132 25.670 1.00 0.00 H new ATOM 0 HB2 LYS A 95 22.746 -8.841 25.031 1.00 0.00 H new ATOM 0 HB3 LYS A 95 21.064 -9.113 24.621 1.00 0.00 H new ATOM 0 HG2 LYS A 95 20.393 -8.023 26.814 1.00 0.00 H new ATOM 0 HG3 LYS A 95 22.083 -7.677 27.128 1.00 0.00 H new ATOM 0 HD2 LYS A 95 22.172 -6.426 24.903 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.442 -6.664 24.752 1.00 0.00 H new ATOM 0 HE2 LYS A 95 21.840 -5.226 27.066 1.00 0.00 H new ATOM 0 HE3 LYS A 95 20.953 -4.444 25.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 19.428 -4.632 27.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 19.004 -5.908 26.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.891 -6.222 27.902 1.00 0.00 H new ATOM 1527 N TRP A 96 22.305 -9.587 28.550 1.00 0.00 N ATOM 1528 CA TRP A 96 23.167 -9.406 29.711 1.00 0.00 C ATOM 1529 C TRP A 96 23.436 -10.742 30.394 1.00 0.00 C ATOM 1530 O TRP A 96 22.757 -11.701 30.065 1.00 0.00 O ATOM 1531 CB TRP A 96 22.509 -8.445 30.703 1.00 0.00 C ATOM 1532 CG TRP A 96 21.200 -9.009 31.150 1.00 0.00 C ATOM 1533 CD1 TRP A 96 20.010 -8.789 30.543 1.00 0.00 C ATOM 1534 CD2 TRP A 96 20.924 -9.882 32.283 1.00 0.00 C ATOM 1535 NE1 TRP A 96 19.023 -9.469 31.232 1.00 0.00 N ATOM 1536 CE2 TRP A 96 19.536 -10.157 32.313 1.00 0.00 C ATOM 1537 CE3 TRP A 96 21.734 -10.453 33.281 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 18.973 -10.973 33.296 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 21.172 -11.275 34.271 1.00 0.00 C ATOM 1540 CH2 TRP A 96 19.793 -11.534 34.280 1.00 0.00 C ATOM 1541 OXT TRP A 96 24.317 -10.788 31.237 1.00 0.00 O ATOM 0 H TRP A 96 21.352 -9.243 28.669 1.00 0.00 H new ATOM 0 HA TRP A 96 24.116 -8.988 29.374 1.00 0.00 H new ATOM 0 HB2 TRP A 96 23.162 -8.289 31.562 1.00 0.00 H new ATOM 0 HB3 TRP A 96 22.357 -7.472 30.237 1.00 0.00 H new ATOM 0 HD1 TRP A 96 19.857 -8.181 29.664 1.00 0.00 H new ATOM 0 HE1 TRP A 96 18.036 -9.463 30.973 1.00 0.00 H new ATOM 0 HE3 TRP A 96 22.796 -10.258 33.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 17.911 -11.170 33.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 21.805 -11.710 35.030 1.00 0.00 H new ATOM 0 HH2 TRP A 96 19.366 -12.165 35.045 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -11.792 4.381 12.378 1.00 0.00 ZN HETATM 1554 O HOH A 301 -12.387 6.367 13.118 1.00 0.00 O