USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 GLN : amide:sc= -0.214 X(o=0.67,f=1.1) USER MOD Set 1.2: A 37 ASN : amide:sc= 0.887 K(o=0.67,f=-0.0018) USER MOD Set 2.1: A 26 TYR OH : rot 166:sc= 0 USER MOD Set 2.2: A 39 THR OG1 : rot -169:sc= 1.42 USER MOD Set 3.1: A 4 TYR OH : rot 180:sc= 0.685 USER MOD Set 3.2: A 61 ASN : amide:sc= 0.565 K(o=1.4,f=-4.9!) USER MOD Set 3.3: A 64 GLN : amide:sc= 0.112 K(o=1.4,f=-1.4!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.222) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -90:sc= 0.707 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.46) USER MOD Single : A 12 ASN : amide:sc= 0.489 K(o=0.49,f=-0.018) USER MOD Single : A 19 ASN : amide:sc= 0.998 K(o=1,f=-1.5) USER MOD Single : A 24 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.13) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -62:sc= 0.135 USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.19) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0448) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.622 K(o=0.62,f=-4.7!) USER MOD Single : A 77 ASN : amide:sc= 1.32 K(o=1.3,f=-0.17) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 87 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.22) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -154:sc= 0.21 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -12:sc= 0.00258 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 1.33 (180deg=1.33) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 105 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00507) USER MOD Single : A 108 HIS : no HE2:sc= -0.047 X(o=-0.047,f=-0.44) USER MOD Single : A 109 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -20.350 -4.344 0.589 1.00 0.00 N ATOM 2 CA GLU A 1 -20.055 -4.474 2.040 1.00 0.00 C ATOM 3 C GLU A 1 -19.936 -5.955 2.425 1.00 0.00 C ATOM 4 O GLU A 1 -20.894 -6.715 2.277 1.00 0.00 O ATOM 5 CB GLU A 1 -21.122 -3.749 2.884 1.00 0.00 C ATOM 6 CG GLU A 1 -20.778 -3.712 4.379 1.00 0.00 C ATOM 7 CD GLU A 1 -21.860 -2.949 5.165 1.00 0.00 C ATOM 8 OE1 GLU A 1 -21.752 -1.708 5.304 1.00 0.00 O ATOM 9 OE2 GLU A 1 -22.827 -3.588 5.647 1.00 0.00 O ATOM 0 H1 GLU A 1 -20.428 -3.337 0.340 1.00 0.00 H new ATOM 0 H2 GLU A 1 -19.582 -4.778 0.038 1.00 0.00 H new ATOM 0 H3 GLU A 1 -21.246 -4.825 0.372 1.00 0.00 H new ATOM 0 HA GLU A 1 -19.098 -3.995 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -21.236 -2.729 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -22.083 -4.245 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -20.691 -4.728 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -19.810 -3.232 4.523 1.00 0.00 H new ATOM 18 N GLU A 2 -18.756 -6.381 2.882 1.00 0.00 N ATOM 19 CA GLU A 2 -18.449 -7.764 3.296 1.00 0.00 C ATOM 20 C GLU A 2 -17.266 -7.813 4.288 1.00 0.00 C ATOM 21 O GLU A 2 -16.644 -6.784 4.567 1.00 0.00 O ATOM 22 CB GLU A 2 -18.177 -8.641 2.053 1.00 0.00 C ATOM 23 CG GLU A 2 -16.941 -8.227 1.239 1.00 0.00 C ATOM 24 CD GLU A 2 -16.779 -9.130 0.001 1.00 0.00 C ATOM 25 OE1 GLU A 2 -16.193 -10.234 0.121 1.00 0.00 O ATOM 26 OE2 GLU A 2 -17.238 -8.743 -1.101 1.00 0.00 O ATOM 0 H GLU A 2 -17.956 -5.756 2.980 1.00 0.00 H new ATOM 0 HA GLU A 2 -19.317 -8.164 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.055 -9.676 2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -19.052 -8.609 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.036 -7.187 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.050 -8.293 1.863 1.00 0.00 H new ATOM 33 N LYS A 3 -16.936 -9.008 4.804 1.00 0.00 N ATOM 34 CA LYS A 3 -15.820 -9.252 5.741 1.00 0.00 C ATOM 35 C LYS A 3 -15.006 -10.490 5.334 1.00 0.00 C ATOM 36 O LYS A 3 -15.557 -11.463 4.815 1.00 0.00 O ATOM 37 CB LYS A 3 -16.353 -9.409 7.181 1.00 0.00 C ATOM 38 CG LYS A 3 -17.049 -8.144 7.711 1.00 0.00 C ATOM 39 CD LYS A 3 -17.394 -8.180 9.211 1.00 0.00 C ATOM 40 CE LYS A 3 -18.504 -9.174 9.594 1.00 0.00 C ATOM 41 NZ LYS A 3 -17.992 -10.541 9.884 1.00 0.00 N ATOM 0 H LYS A 3 -17.452 -9.858 4.576 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.156 -8.389 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.055 -10.242 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.525 -9.664 7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.406 -7.285 7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.967 -7.986 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.493 -8.430 9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.697 -7.181 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.033 -8.798 10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.229 -9.229 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.637 -11.021 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.934 -11.085 8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.046 -10.474 10.312 1.00 0.00 H new ATOM 55 N TYR A 4 -13.698 -10.440 5.582 1.00 0.00 N ATOM 56 CA TYR A 4 -12.700 -11.454 5.208 1.00 0.00 C ATOM 57 C TYR A 4 -11.421 -11.329 6.062 1.00 0.00 C ATOM 58 O TYR A 4 -11.283 -10.392 6.853 1.00 0.00 O ATOM 59 CB TYR A 4 -12.390 -11.332 3.701 1.00 0.00 C ATOM 60 CG TYR A 4 -12.099 -9.926 3.201 1.00 0.00 C ATOM 61 CD1 TYR A 4 -10.814 -9.364 3.343 1.00 0.00 C ATOM 62 CD2 TYR A 4 -13.122 -9.184 2.575 1.00 0.00 C ATOM 63 CE1 TYR A 4 -10.551 -8.070 2.851 1.00 0.00 C ATOM 64 CE2 TYR A 4 -12.865 -7.891 2.086 1.00 0.00 C ATOM 65 CZ TYR A 4 -11.576 -7.332 2.215 1.00 0.00 C ATOM 66 OH TYR A 4 -11.314 -6.095 1.712 1.00 0.00 O ATOM 0 H TYR A 4 -13.279 -9.652 6.075 1.00 0.00 H new ATOM 0 HA TYR A 4 -13.110 -12.445 5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -11.532 -11.964 3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -13.237 -11.729 3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.030 -9.926 3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -14.108 -9.611 2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.566 -7.641 2.960 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -13.654 -7.326 1.612 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.127 -5.727 1.308 1.00 0.00 H new ATOM 76 N THR A 5 -10.481 -12.268 5.901 1.00 0.00 N ATOM 77 CA THR A 5 -9.238 -12.394 6.690 1.00 0.00 C ATOM 78 C THR A 5 -8.027 -12.695 5.788 1.00 0.00 C ATOM 79 O THR A 5 -8.110 -13.492 4.850 1.00 0.00 O ATOM 80 CB THR A 5 -9.366 -13.499 7.759 1.00 0.00 C ATOM 81 OG1 THR A 5 -9.869 -14.703 7.217 1.00 0.00 O ATOM 82 CG2 THR A 5 -10.298 -13.117 8.909 1.00 0.00 C ATOM 0 H THR A 5 -10.564 -12.994 5.189 1.00 0.00 H new ATOM 0 HA THR A 5 -9.078 -11.436 7.185 1.00 0.00 H new ATOM 0 HB THR A 5 -8.350 -13.630 8.132 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.934 -15.378 7.924 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.345 -13.936 9.627 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.918 -12.223 9.403 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.296 -12.919 8.518 1.00 0.00 H new ATOM 90 N THR A 6 -6.882 -12.059 6.068 1.00 0.00 N ATOM 91 CA THR A 6 -5.644 -12.163 5.267 1.00 0.00 C ATOM 92 C THR A 6 -4.741 -13.285 5.786 1.00 0.00 C ATOM 93 O THR A 6 -3.874 -13.062 6.635 1.00 0.00 O ATOM 94 CB THR A 6 -4.889 -10.817 5.230 1.00 0.00 C ATOM 95 OG1 THR A 6 -5.721 -9.814 4.685 1.00 0.00 O ATOM 96 CG2 THR A 6 -3.603 -10.854 4.397 1.00 0.00 C ATOM 0 H THR A 6 -6.783 -11.443 6.875 1.00 0.00 H new ATOM 0 HA THR A 6 -5.932 -12.413 4.246 1.00 0.00 H new ATOM 0 HB THR A 6 -4.616 -10.605 6.264 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.595 -9.777 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.128 -9.873 4.418 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.922 -11.596 4.813 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.844 -11.119 3.367 1.00 0.00 H new ATOM 104 N LYS A 7 -4.963 -14.505 5.283 1.00 0.00 N ATOM 105 CA LYS A 7 -4.138 -15.698 5.529 1.00 0.00 C ATOM 106 C LYS A 7 -4.218 -16.687 4.361 1.00 0.00 C ATOM 107 O LYS A 7 -5.272 -17.258 4.088 1.00 0.00 O ATOM 108 CB LYS A 7 -4.493 -16.374 6.875 1.00 0.00 C ATOM 109 CG LYS A 7 -5.930 -16.230 7.427 1.00 0.00 C ATOM 110 CD LYS A 7 -7.073 -16.773 6.555 1.00 0.00 C ATOM 111 CE LYS A 7 -7.032 -18.293 6.329 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.337 -19.062 7.564 1.00 0.00 N ATOM 0 H LYS A 7 -5.754 -14.698 4.668 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.103 -15.365 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.284 -17.439 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.809 -15.985 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.973 -16.733 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.118 -15.172 7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.024 -16.513 7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.044 -16.273 5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.748 -18.561 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.045 -18.576 5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.296 -20.081 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.639 -18.829 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.289 -18.815 7.901 1.00 0.00 H new ATOM 126 N TYR A 8 -3.091 -16.904 3.687 1.00 0.00 N ATOM 127 CA TYR A 8 -2.968 -17.832 2.556 1.00 0.00 C ATOM 128 C TYR A 8 -1.591 -18.505 2.585 1.00 0.00 C ATOM 129 O TYR A 8 -0.574 -17.815 2.609 1.00 0.00 O ATOM 130 CB TYR A 8 -3.181 -17.067 1.237 1.00 0.00 C ATOM 131 CG TYR A 8 -4.582 -16.506 1.050 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.593 -17.318 0.498 1.00 0.00 C ATOM 133 CD2 TYR A 8 -4.882 -15.186 1.447 1.00 0.00 C ATOM 134 CE1 TYR A 8 -6.898 -16.812 0.334 1.00 0.00 C ATOM 135 CE2 TYR A 8 -6.186 -14.676 1.285 1.00 0.00 C ATOM 136 CZ TYR A 8 -7.197 -15.488 0.726 1.00 0.00 C ATOM 137 OH TYR A 8 -8.455 -14.990 0.569 1.00 0.00 O ATOM 0 H TYR A 8 -2.216 -16.431 3.914 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.729 -18.609 2.632 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.466 -16.246 1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.957 -17.734 0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.367 -18.331 0.200 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.110 -14.564 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.670 -17.436 -0.091 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.412 -13.664 1.588 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.483 -14.065 0.892 1.00 0.00 H new ATOM 147 N ASP A 9 -1.557 -19.843 2.607 1.00 0.00 N ATOM 148 CA ASP A 9 -0.341 -20.678 2.703 1.00 0.00 C ATOM 149 C ASP A 9 0.688 -20.195 3.758 1.00 0.00 C ATOM 150 O ASP A 9 1.892 -20.114 3.500 1.00 0.00 O ATOM 151 CB ASP A 9 0.243 -20.883 1.292 1.00 0.00 C ATOM 152 CG ASP A 9 1.317 -21.986 1.231 1.00 0.00 C ATOM 153 OD1 ASP A 9 1.140 -23.051 1.873 1.00 0.00 O ATOM 154 OD2 ASP A 9 2.318 -21.820 0.492 1.00 0.00 O ATOM 0 H ASP A 9 -2.409 -20.402 2.557 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.629 -21.653 3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.565 -21.134 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.676 -19.945 0.946 1.00 0.00 H new ATOM 159 N ASN A 10 0.197 -19.847 4.957 1.00 0.00 N ATOM 160 CA ASN A 10 0.956 -19.235 6.060 1.00 0.00 C ATOM 161 C ASN A 10 1.718 -17.955 5.667 1.00 0.00 C ATOM 162 O ASN A 10 2.941 -17.850 5.808 1.00 0.00 O ATOM 163 CB ASN A 10 1.791 -20.309 6.788 1.00 0.00 C ATOM 164 CG ASN A 10 2.429 -19.798 8.072 1.00 0.00 C ATOM 165 OD1 ASN A 10 1.853 -19.020 8.822 1.00 0.00 O ATOM 166 ND2 ASN A 10 3.634 -20.225 8.382 1.00 0.00 N ATOM 0 H ASN A 10 -0.784 -19.991 5.196 1.00 0.00 H new ATOM 0 HA ASN A 10 0.243 -18.850 6.789 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.153 -21.162 7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.573 -20.669 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.082 -19.908 9.242 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.120 -20.873 7.763 1.00 0.00 H new ATOM 173 N VAL A 11 0.952 -16.964 5.204 1.00 0.00 N ATOM 174 CA VAL A 11 1.419 -15.603 4.898 1.00 0.00 C ATOM 175 C VAL A 11 0.364 -14.597 5.349 1.00 0.00 C ATOM 176 O VAL A 11 -0.833 -14.836 5.182 1.00 0.00 O ATOM 177 CB VAL A 11 1.700 -15.409 3.391 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.457 -14.095 3.183 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.554 -16.522 2.775 1.00 0.00 C ATOM 0 H VAL A 11 -0.044 -17.088 5.025 1.00 0.00 H new ATOM 0 HA VAL A 11 2.356 -15.444 5.432 1.00 0.00 H new ATOM 0 HB VAL A 11 0.726 -15.416 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.657 -13.955 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.854 -13.265 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.400 -14.128 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.709 -16.317 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.518 -16.563 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.043 -17.478 2.889 1.00 0.00 H new ATOM 189 N ASN A 12 0.809 -13.473 5.912 1.00 0.00 N ATOM 190 CA ASN A 12 -0.040 -12.443 6.507 1.00 0.00 C ATOM 191 C ASN A 12 0.505 -11.029 6.261 1.00 0.00 C ATOM 192 O ASN A 12 1.673 -10.847 5.918 1.00 0.00 O ATOM 193 CB ASN A 12 -0.089 -12.651 8.023 1.00 0.00 C ATOM 194 CG ASN A 12 -0.647 -13.988 8.480 1.00 0.00 C ATOM 195 OD1 ASN A 12 0.071 -14.861 8.948 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.935 -14.209 8.375 1.00 0.00 N ATOM 0 H ASN A 12 1.802 -13.248 5.968 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.024 -12.531 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.920 -12.543 8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.691 -11.856 8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.326 -15.100 8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.546 -13.490 7.987 1.00 0.00 H new ATOM 203 N LEU A 13 -0.323 -10.020 6.544 1.00 0.00 N ATOM 204 CA LEU A 13 0.031 -8.604 6.443 1.00 0.00 C ATOM 205 C LEU A 13 1.288 -8.197 7.221 1.00 0.00 C ATOM 206 O LEU A 13 2.080 -7.407 6.722 1.00 0.00 O ATOM 207 CB LEU A 13 -1.163 -7.752 6.912 1.00 0.00 C ATOM 208 CG LEU A 13 -1.796 -6.961 5.764 1.00 0.00 C ATOM 209 CD1 LEU A 13 -2.956 -6.137 6.331 1.00 0.00 C ATOM 210 CD2 LEU A 13 -0.803 -5.991 5.127 1.00 0.00 C ATOM 0 H LEU A 13 -1.282 -10.170 6.857 1.00 0.00 H new ATOM 0 HA LEU A 13 0.266 -8.426 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.915 -8.400 7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.832 -7.061 7.688 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.127 -7.670 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.422 -5.565 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.693 -6.805 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.579 -5.454 7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.292 -5.450 4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.454 -5.283 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.046 -6.548 4.731 1.00 0.00 H new ATOM 222 N ASP A 14 1.508 -8.729 8.421 1.00 0.00 N ATOM 223 CA ASP A 14 2.705 -8.387 9.198 1.00 0.00 C ATOM 224 C ASP A 14 4.008 -8.835 8.524 1.00 0.00 C ATOM 225 O ASP A 14 5.014 -8.133 8.606 1.00 0.00 O ATOM 226 CB ASP A 14 2.592 -8.935 10.617 1.00 0.00 C ATOM 227 CG ASP A 14 2.627 -10.467 10.710 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.567 -11.100 10.501 1.00 0.00 O ATOM 229 OD2 ASP A 14 3.700 -11.034 11.023 1.00 0.00 O ATOM 0 H ASP A 14 0.882 -9.393 8.876 1.00 0.00 H new ATOM 0 HA ASP A 14 2.755 -7.299 9.245 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.406 -8.528 11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.662 -8.578 11.058 1.00 0.00 H new ATOM 234 N GLU A 15 3.972 -9.945 7.783 1.00 0.00 N ATOM 235 CA GLU A 15 5.074 -10.360 6.911 1.00 0.00 C ATOM 236 C GLU A 15 5.200 -9.427 5.693 1.00 0.00 C ATOM 237 O GLU A 15 6.310 -9.184 5.240 1.00 0.00 O ATOM 238 CB GLU A 15 4.889 -11.829 6.482 1.00 0.00 C ATOM 239 CG GLU A 15 6.109 -12.440 5.764 1.00 0.00 C ATOM 240 CD GLU A 15 7.376 -12.634 6.627 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.265 -12.924 7.844 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.497 -12.534 6.067 1.00 0.00 O ATOM 0 H GLU A 15 3.176 -10.583 7.771 1.00 0.00 H new ATOM 0 HA GLU A 15 6.006 -10.285 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.665 -12.427 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.023 -11.896 5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.819 -13.409 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.364 -11.803 4.917 1.00 0.00 H new ATOM 249 N ILE A 16 4.103 -8.845 5.186 1.00 0.00 N ATOM 250 CA ILE A 16 4.124 -7.951 4.001 1.00 0.00 C ATOM 251 C ILE A 16 5.009 -6.723 4.244 1.00 0.00 C ATOM 252 O ILE A 16 6.021 -6.553 3.565 1.00 0.00 O ATOM 253 CB ILE A 16 2.682 -7.636 3.496 1.00 0.00 C ATOM 254 CG1 ILE A 16 2.018 -8.915 2.942 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.602 -6.535 2.434 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.752 -9.532 1.736 1.00 0.00 C ATOM 0 H ILE A 16 3.172 -8.976 5.581 1.00 0.00 H new ATOM 0 HA ILE A 16 4.597 -8.476 3.171 1.00 0.00 H new ATOM 0 HB ILE A 16 2.151 -7.262 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.962 -9.657 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.994 -8.683 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.562 -6.385 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.003 -5.607 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.184 -6.829 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.223 -10.426 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.785 -8.809 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.768 -9.798 2.026 1.00 0.00 H new ATOM 268 N LEU A 17 4.727 -5.932 5.276 1.00 0.00 N ATOM 269 CA LEU A 17 5.549 -4.763 5.640 1.00 0.00 C ATOM 270 C LEU A 17 6.955 -5.171 6.115 1.00 0.00 C ATOM 271 O LEU A 17 7.922 -4.452 5.854 1.00 0.00 O ATOM 272 CB LEU A 17 4.877 -3.890 6.726 1.00 0.00 C ATOM 273 CG LEU A 17 3.724 -4.537 7.515 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.445 -3.792 8.809 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.433 -4.416 6.718 1.00 0.00 C ATOM 0 H LEU A 17 3.924 -6.077 5.888 1.00 0.00 H new ATOM 0 HA LEU A 17 5.643 -4.174 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.644 -3.580 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.499 -2.985 6.250 1.00 0.00 H new ATOM 0 HG LEU A 17 4.019 -5.569 7.707 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.625 -4.277 9.339 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.338 -3.802 9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.171 -2.761 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.616 -4.874 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.209 -3.363 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.548 -4.924 5.760 1.00 0.00 H new ATOM 287 N ALA A 18 7.076 -6.307 6.810 1.00 0.00 N ATOM 288 CA ALA A 18 8.359 -6.806 7.310 1.00 0.00 C ATOM 289 C ALA A 18 9.282 -7.366 6.202 1.00 0.00 C ATOM 290 O ALA A 18 10.492 -7.493 6.414 1.00 0.00 O ATOM 291 CB ALA A 18 8.097 -7.879 8.370 1.00 0.00 C ATOM 0 H ALA A 18 6.284 -6.907 7.042 1.00 0.00 H new ATOM 0 HA ALA A 18 8.889 -5.956 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.047 -8.257 8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.525 -7.447 9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.532 -8.699 7.926 1.00 0.00 H new ATOM 297 N ASN A 19 8.729 -7.693 5.029 1.00 0.00 N ATOM 298 CA ASN A 19 9.401 -8.389 3.934 1.00 0.00 C ATOM 299 C ASN A 19 9.250 -7.607 2.622 1.00 0.00 C ATOM 300 O ASN A 19 8.343 -7.846 1.822 1.00 0.00 O ATOM 301 CB ASN A 19 8.875 -9.829 3.818 1.00 0.00 C ATOM 302 CG ASN A 19 9.897 -10.759 3.204 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.560 -10.429 2.233 1.00 0.00 O ATOM 304 ND2 ASN A 19 10.083 -11.927 3.767 1.00 0.00 N ATOM 0 H ASN A 19 7.758 -7.469 4.811 1.00 0.00 H new ATOM 0 HA ASN A 19 10.468 -8.447 4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.600 -10.195 4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.969 -9.836 3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.785 -12.567 3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.526 -12.197 4.578 1.00 0.00 H new ATOM 311 N ASP A 20 10.155 -6.657 2.382 1.00 0.00 N ATOM 312 CA ASP A 20 10.156 -5.839 1.165 1.00 0.00 C ATOM 313 C ASP A 20 10.166 -6.660 -0.140 1.00 0.00 C ATOM 314 O ASP A 20 9.647 -6.193 -1.154 1.00 0.00 O ATOM 315 CB ASP A 20 11.334 -4.858 1.192 1.00 0.00 C ATOM 316 CG ASP A 20 12.702 -5.548 1.046 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.196 -6.130 2.040 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.283 -5.505 -0.064 1.00 0.00 O ATOM 0 H ASP A 20 10.911 -6.431 3.028 1.00 0.00 H new ATOM 0 HA ASP A 20 9.214 -5.291 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.213 -4.133 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.313 -4.301 2.129 1.00 0.00 H new ATOM 323 N ARG A 21 10.694 -7.892 -0.113 1.00 0.00 N ATOM 324 CA ARG A 21 10.641 -8.846 -1.238 1.00 0.00 C ATOM 325 C ARG A 21 9.204 -9.170 -1.662 1.00 0.00 C ATOM 326 O ARG A 21 8.916 -9.240 -2.856 1.00 0.00 O ATOM 327 CB ARG A 21 11.370 -10.167 -0.913 1.00 0.00 C ATOM 328 CG ARG A 21 12.744 -10.009 -0.236 1.00 0.00 C ATOM 329 CD ARG A 21 13.450 -11.356 -0.004 1.00 0.00 C ATOM 330 NE ARG A 21 13.638 -12.144 -1.242 1.00 0.00 N ATOM 331 CZ ARG A 21 14.572 -11.996 -2.165 1.00 0.00 C ATOM 332 NH1 ARG A 21 15.488 -11.072 -2.094 1.00 0.00 N ATOM 333 NH2 ARG A 21 14.600 -12.789 -3.198 1.00 0.00 N ATOM 0 H ARG A 21 11.179 -8.263 0.704 1.00 0.00 H new ATOM 0 HA ARG A 21 11.150 -8.347 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.730 -10.766 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.501 -10.728 -1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.378 -9.373 -0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.617 -9.501 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.423 -11.174 0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.869 -11.944 0.707 1.00 0.00 H new ATOM 0 HE ARG A 21 12.964 -12.893 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.502 -10.428 -1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.191 -10.993 -2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.901 -13.525 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.321 -12.674 -3.910 1.00 0.00 H new ATOM 347 N LEU A 22 8.299 -9.332 -0.689 1.00 0.00 N ATOM 348 CA LEU A 22 6.855 -9.462 -0.917 1.00 0.00 C ATOM 349 C LEU A 22 6.259 -8.108 -1.311 1.00 0.00 C ATOM 350 O LEU A 22 5.531 -8.013 -2.298 1.00 0.00 O ATOM 351 CB LEU A 22 6.148 -9.960 0.361 1.00 0.00 C ATOM 352 CG LEU A 22 6.719 -11.234 1.000 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.994 -11.552 2.301 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.549 -12.457 0.115 1.00 0.00 C ATOM 0 H LEU A 22 8.555 -9.377 0.297 1.00 0.00 H new ATOM 0 HA LEU A 22 6.704 -10.182 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.179 -9.162 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.098 -10.136 0.125 1.00 0.00 H new ATOM 0 HG LEU A 22 7.778 -11.031 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.413 -12.458 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.116 -10.723 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.934 -11.703 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.970 -13.329 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.489 -12.624 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.066 -12.296 -0.831 1.00 0.00 H new ATOM 366 N LEU A 23 6.603 -7.052 -0.563 1.00 0.00 N ATOM 367 CA LEU A 23 6.057 -5.705 -0.737 1.00 0.00 C ATOM 368 C LEU A 23 6.241 -5.192 -2.180 1.00 0.00 C ATOM 369 O LEU A 23 5.298 -4.686 -2.782 1.00 0.00 O ATOM 370 CB LEU A 23 6.697 -4.767 0.311 1.00 0.00 C ATOM 371 CG LEU A 23 5.816 -3.623 0.813 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.212 -2.827 -0.340 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.725 -4.168 1.721 1.00 0.00 C ATOM 0 H LEU A 23 7.283 -7.114 0.195 1.00 0.00 H new ATOM 0 HA LEU A 23 4.980 -5.728 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.002 -5.367 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.603 -4.340 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 23 6.444 -2.938 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.593 -2.023 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.011 -2.402 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.600 -3.486 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.102 -3.347 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.111 -4.877 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.180 -4.672 2.574 1.00 0.00 H new ATOM 385 N ASN A 24 7.419 -5.407 -2.777 1.00 0.00 N ATOM 386 CA ASN A 24 7.733 -5.038 -4.166 1.00 0.00 C ATOM 387 C ASN A 24 6.712 -5.573 -5.190 1.00 0.00 C ATOM 388 O ASN A 24 6.410 -4.881 -6.161 1.00 0.00 O ATOM 389 CB ASN A 24 9.164 -5.486 -4.518 1.00 0.00 C ATOM 390 CG ASN A 24 10.186 -4.402 -4.214 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.582 -3.627 -5.072 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.627 -4.292 -2.985 1.00 0.00 N ATOM 0 H ASN A 24 8.201 -5.853 -2.297 1.00 0.00 H new ATOM 0 HA ASN A 24 7.668 -3.952 -4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.411 -6.387 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.214 -5.746 -5.575 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.298 -3.562 -2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.299 -4.937 -2.266 1.00 0.00 H new ATOM 399 N LYS A 25 6.126 -6.755 -4.953 1.00 0.00 N ATOM 400 CA LYS A 25 5.074 -7.353 -5.798 1.00 0.00 C ATOM 401 C LYS A 25 3.763 -6.568 -5.666 1.00 0.00 C ATOM 402 O LYS A 25 3.142 -6.196 -6.662 1.00 0.00 O ATOM 403 CB LYS A 25 4.844 -8.833 -5.412 1.00 0.00 C ATOM 404 CG LYS A 25 6.135 -9.670 -5.318 1.00 0.00 C ATOM 405 CD LYS A 25 5.923 -11.086 -4.761 1.00 0.00 C ATOM 406 CE LYS A 25 4.992 -11.928 -5.640 1.00 0.00 C ATOM 407 NZ LYS A 25 4.949 -13.345 -5.191 1.00 0.00 N ATOM 0 H LYS A 25 6.373 -7.337 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 25 5.406 -7.307 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.329 -8.871 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.181 -9.290 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.581 -9.744 -6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.851 -9.145 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.887 -11.587 -4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.507 -11.019 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.987 -11.507 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.330 -11.884 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.310 -13.885 -5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.904 -13.754 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.603 -13.388 -4.211 1.00 0.00 H new ATOM 421 N TYR A 26 3.391 -6.263 -4.421 1.00 0.00 N ATOM 422 CA TYR A 26 2.170 -5.545 -4.046 1.00 0.00 C ATOM 423 C TYR A 26 2.165 -4.110 -4.600 1.00 0.00 C ATOM 424 O TYR A 26 1.130 -3.645 -5.075 1.00 0.00 O ATOM 425 CB TYR A 26 2.008 -5.551 -2.509 1.00 0.00 C ATOM 426 CG TYR A 26 1.542 -6.862 -1.879 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.200 -8.080 -2.137 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.434 -6.859 -1.010 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.720 -9.290 -1.601 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.051 -8.062 -0.461 1.00 0.00 C ATOM 431 CZ TYR A 26 0.574 -9.286 -0.776 1.00 0.00 C ATOM 432 OH TYR A 26 0.062 -10.454 -0.299 1.00 0.00 O ATOM 0 H TYR A 26 3.956 -6.520 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 26 1.319 -6.060 -4.490 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.965 -5.280 -2.064 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.297 -4.770 -2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.086 -8.086 -2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.049 -5.925 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.227 -10.218 -1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.903 -8.047 0.202 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.574 -10.262 0.422 1.00 0.00 H new ATOM 442 N VAL A 27 3.315 -3.421 -4.601 1.00 0.00 N ATOM 443 CA VAL A 27 3.457 -2.075 -5.199 1.00 0.00 C ATOM 444 C VAL A 27 3.545 -2.094 -6.719 1.00 0.00 C ATOM 445 O VAL A 27 2.912 -1.260 -7.359 1.00 0.00 O ATOM 446 CB VAL A 27 4.628 -1.264 -4.611 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.375 -1.026 -3.126 1.00 0.00 C ATOM 448 CG2 VAL A 27 5.983 -1.950 -4.759 1.00 0.00 C ATOM 0 H VAL A 27 4.177 -3.777 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 27 2.532 -1.567 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 27 4.671 -0.332 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.200 -0.453 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.445 -0.471 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.298 -1.984 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.759 -1.321 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.963 -2.911 -4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.197 -2.109 -5.816 1.00 0.00 H new ATOM 458 N GLN A 28 4.235 -3.065 -7.327 1.00 0.00 N ATOM 459 CA GLN A 28 4.291 -3.207 -8.795 1.00 0.00 C ATOM 460 C GLN A 28 2.899 -3.186 -9.439 1.00 0.00 C ATOM 461 O GLN A 28 2.742 -2.613 -10.512 1.00 0.00 O ATOM 462 CB GLN A 28 5.038 -4.489 -9.191 1.00 0.00 C ATOM 463 CG GLN A 28 6.371 -4.189 -9.899 1.00 0.00 C ATOM 464 CD GLN A 28 7.328 -5.380 -9.855 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.254 -5.444 -9.056 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.156 -6.370 -10.705 1.00 0.00 N ATOM 0 H GLN A 28 4.769 -3.773 -6.823 1.00 0.00 H new ATOM 0 HA GLN A 28 4.838 -2.343 -9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.228 -5.087 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.406 -5.088 -9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.177 -3.919 -10.937 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.844 -3.327 -9.429 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.391 -6.337 -11.379 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.788 -7.171 -10.690 1.00 0.00 H new ATOM 475 N CYS A 29 1.881 -3.695 -8.737 1.00 0.00 N ATOM 476 CA CYS A 29 0.475 -3.646 -9.133 1.00 0.00 C ATOM 477 C CYS A 29 -0.033 -2.280 -9.654 1.00 0.00 C ATOM 478 O CYS A 29 -0.950 -2.241 -10.480 1.00 0.00 O ATOM 479 CB CYS A 29 -0.356 -4.093 -7.928 1.00 0.00 C ATOM 480 SG CYS A 29 -2.137 -4.240 -8.200 1.00 0.00 S ATOM 0 H CYS A 29 2.022 -4.169 -7.845 1.00 0.00 H new ATOM 0 HA CYS A 29 0.367 -4.309 -9.992 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.020 -5.059 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.190 -3.385 -7.116 1.00 0.00 H new ATOM 485 N LEU A 30 0.573 -1.169 -9.212 1.00 0.00 N ATOM 486 CA LEU A 30 0.330 0.179 -9.740 1.00 0.00 C ATOM 487 C LEU A 30 1.608 0.942 -10.174 1.00 0.00 C ATOM 488 O LEU A 30 1.503 2.025 -10.755 1.00 0.00 O ATOM 489 CB LEU A 30 -0.592 0.981 -8.788 1.00 0.00 C ATOM 490 CG LEU A 30 -0.176 1.245 -7.322 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.362 0.036 -6.402 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.263 1.727 -7.186 1.00 0.00 C ATOM 0 H LEU A 30 1.262 -1.184 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.205 0.055 -10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.765 1.952 -9.252 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.552 0.465 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.856 2.036 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.049 0.297 -5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.412 -0.256 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.243 -0.795 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.493 1.894 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.939 0.973 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.388 2.659 -7.737 1.00 0.00 H new ATOM 504 N LEU A 31 2.805 0.393 -9.917 1.00 0.00 N ATOM 505 CA LEU A 31 4.102 0.988 -10.277 1.00 0.00 C ATOM 506 C LEU A 31 4.494 0.682 -11.737 1.00 0.00 C ATOM 507 O LEU A 31 4.850 1.607 -12.470 1.00 0.00 O ATOM 508 CB LEU A 31 5.165 0.584 -9.216 1.00 0.00 C ATOM 509 CG LEU A 31 6.528 0.018 -9.668 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.437 1.068 -10.297 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.278 -0.542 -8.458 1.00 0.00 C ATOM 0 H LEU A 31 2.900 -0.503 -9.439 1.00 0.00 H new ATOM 0 HA LEU A 31 4.031 2.075 -10.252 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.366 1.465 -8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.706 -0.158 -8.563 1.00 0.00 H new ATOM 0 HG LEU A 31 6.303 -0.746 -10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.378 0.604 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.950 1.492 -11.175 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.634 1.859 -9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.240 -0.941 -8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.440 0.253 -7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.689 -1.338 -8.001 1.00 0.00 H new ATOM 523 N GLU A 32 4.411 -0.576 -12.192 1.00 0.00 N ATOM 524 CA GLU A 32 4.705 -0.907 -13.600 1.00 0.00 C ATOM 525 C GLU A 32 3.523 -0.556 -14.537 1.00 0.00 C ATOM 526 O GLU A 32 2.410 -0.265 -14.093 1.00 0.00 O ATOM 527 CB GLU A 32 5.207 -2.352 -13.791 1.00 0.00 C ATOM 528 CG GLU A 32 4.214 -3.388 -13.283 1.00 0.00 C ATOM 529 CD GLU A 32 4.540 -4.850 -13.637 1.00 0.00 C ATOM 530 OE1 GLU A 32 5.698 -5.173 -13.995 1.00 0.00 O ATOM 531 OE2 GLU A 32 3.642 -5.711 -13.479 1.00 0.00 O ATOM 0 H GLU A 32 4.146 -1.375 -11.616 1.00 0.00 H new ATOM 0 HA GLU A 32 5.539 -0.270 -13.895 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.401 -2.528 -14.849 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.155 -2.476 -13.268 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.149 -3.301 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.229 -3.147 -13.682 1.00 0.00 H new ATOM 538 N ASP A 33 3.743 -0.611 -15.853 1.00 0.00 N ATOM 539 CA ASP A 33 2.737 -0.368 -16.905 1.00 0.00 C ATOM 540 C ASP A 33 1.806 -1.573 -17.192 1.00 0.00 C ATOM 541 O ASP A 33 1.160 -1.658 -18.239 1.00 0.00 O ATOM 542 CB ASP A 33 3.452 0.133 -18.167 1.00 0.00 C ATOM 543 CG ASP A 33 4.382 -0.903 -18.827 1.00 0.00 C ATOM 544 OD1 ASP A 33 5.341 -1.370 -18.164 1.00 0.00 O ATOM 545 OD2 ASP A 33 4.200 -1.201 -20.034 1.00 0.00 O ATOM 0 H ASP A 33 4.661 -0.834 -16.236 1.00 0.00 H new ATOM 0 HA ASP A 33 2.056 0.399 -16.538 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.703 0.445 -18.894 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.036 1.017 -17.912 1.00 0.00 H new ATOM 550 N ASP A 34 1.731 -2.503 -16.243 1.00 0.00 N ATOM 551 CA ASP A 34 0.925 -3.733 -16.240 1.00 0.00 C ATOM 552 C ASP A 34 0.332 -4.019 -14.839 1.00 0.00 C ATOM 553 O ASP A 34 0.621 -3.320 -13.868 1.00 0.00 O ATOM 554 CB ASP A 34 1.794 -4.915 -16.717 1.00 0.00 C ATOM 555 CG ASP A 34 1.939 -4.968 -18.247 1.00 0.00 C ATOM 556 OD1 ASP A 34 0.919 -5.209 -18.938 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.076 -4.839 -18.761 1.00 0.00 O ATOM 0 H ASP A 34 2.274 -2.414 -15.384 1.00 0.00 H new ATOM 0 HA ASP A 34 0.086 -3.601 -16.924 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.783 -4.839 -16.265 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.354 -5.848 -16.366 1.00 0.00 H new ATOM 562 N GLU A 35 -0.503 -5.059 -14.725 1.00 0.00 N ATOM 563 CA GLU A 35 -1.186 -5.456 -13.476 1.00 0.00 C ATOM 564 C GLU A 35 -1.079 -6.962 -13.155 1.00 0.00 C ATOM 565 O GLU A 35 -1.722 -7.465 -12.235 1.00 0.00 O ATOM 566 CB GLU A 35 -2.642 -4.951 -13.502 1.00 0.00 C ATOM 567 CG GLU A 35 -3.505 -5.589 -14.602 1.00 0.00 C ATOM 568 CD GLU A 35 -4.943 -5.034 -14.565 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.212 -3.986 -15.204 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.821 -5.646 -13.911 1.00 0.00 O ATOM 0 H GLU A 35 -0.731 -5.665 -15.513 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.663 -4.976 -12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.102 -5.148 -12.534 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.638 -3.870 -13.639 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.060 -5.393 -15.578 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.525 -6.671 -14.472 1.00 0.00 H new ATOM 577 N SER A 36 -0.222 -7.691 -13.877 1.00 0.00 N ATOM 578 CA SER A 36 0.051 -9.121 -13.643 1.00 0.00 C ATOM 579 C SER A 36 0.608 -9.408 -12.235 1.00 0.00 C ATOM 580 O SER A 36 0.379 -10.480 -11.669 1.00 0.00 O ATOM 581 CB SER A 36 1.040 -9.612 -14.705 1.00 0.00 C ATOM 582 OG SER A 36 1.138 -11.027 -14.705 1.00 0.00 O ATOM 0 H SER A 36 0.312 -7.302 -14.654 1.00 0.00 H new ATOM 0 HA SER A 36 -0.897 -9.655 -13.714 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.721 -9.268 -15.689 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.022 -9.178 -14.518 1.00 0.00 H new ATOM 0 HG SER A 36 1.775 -11.311 -15.394 1.00 0.00 H new ATOM 588 N ASN A 37 1.309 -8.433 -11.639 1.00 0.00 N ATOM 589 CA ASN A 37 1.927 -8.546 -10.314 1.00 0.00 C ATOM 590 C ASN A 37 0.968 -8.309 -9.129 1.00 0.00 C ATOM 591 O ASN A 37 1.369 -8.501 -7.980 1.00 0.00 O ATOM 592 CB ASN A 37 3.165 -7.634 -10.271 1.00 0.00 C ATOM 593 CG ASN A 37 4.351 -8.306 -10.944 1.00 0.00 C ATOM 594 OD1 ASN A 37 4.950 -9.229 -10.411 1.00 0.00 O ATOM 595 ND2 ASN A 37 4.727 -7.891 -12.131 1.00 0.00 N ATOM 0 H ASN A 37 1.464 -7.525 -12.076 1.00 0.00 H new ATOM 0 HA ASN A 37 2.228 -9.585 -10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.945 -6.690 -10.769 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.413 -7.398 -9.236 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.514 -8.338 -12.602 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.233 -7.122 -12.583 1.00 0.00 H new ATOM 602 N CYS A 38 -0.292 -7.932 -9.373 1.00 0.00 N ATOM 603 CA CYS A 38 -1.308 -7.831 -8.319 1.00 0.00 C ATOM 604 C CYS A 38 -1.635 -9.218 -7.724 1.00 0.00 C ATOM 605 O CYS A 38 -2.291 -10.042 -8.371 1.00 0.00 O ATOM 606 CB CYS A 38 -2.572 -7.163 -8.874 1.00 0.00 C ATOM 607 SG CYS A 38 -2.352 -5.572 -9.710 1.00 0.00 S ATOM 0 H CYS A 38 -0.635 -7.689 -10.302 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.910 -7.215 -7.513 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.042 -7.853 -9.575 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.271 -7.020 -8.050 1.00 0.00 H new ATOM 612 N THR A 39 -1.170 -9.498 -6.502 1.00 0.00 N ATOM 613 CA THR A 39 -1.426 -10.765 -5.789 1.00 0.00 C ATOM 614 C THR A 39 -2.872 -10.854 -5.273 1.00 0.00 C ATOM 615 O THR A 39 -3.590 -9.852 -5.234 1.00 0.00 O ATOM 616 CB THR A 39 -0.449 -10.941 -4.616 1.00 0.00 C ATOM 617 OG1 THR A 39 -0.626 -9.885 -3.708 1.00 0.00 O ATOM 618 CG2 THR A 39 1.016 -10.936 -5.054 1.00 0.00 C ATOM 0 H THR A 39 -0.596 -8.845 -5.968 1.00 0.00 H new ATOM 0 HA THR A 39 -1.273 -11.568 -6.510 1.00 0.00 H new ATOM 0 HB THR A 39 -0.668 -11.910 -4.167 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.107 -9.887 -3.057 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.657 -11.064 -4.182 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.189 -11.753 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.248 -9.987 -5.538 1.00 0.00 H new ATOM 626 N ALA A 40 -3.309 -12.049 -4.852 1.00 0.00 N ATOM 627 CA ALA A 40 -4.683 -12.304 -4.396 1.00 0.00 C ATOM 628 C ALA A 40 -5.147 -11.395 -3.235 1.00 0.00 C ATOM 629 O ALA A 40 -6.314 -10.998 -3.196 1.00 0.00 O ATOM 630 CB ALA A 40 -4.796 -13.786 -4.016 1.00 0.00 C ATOM 0 H ALA A 40 -2.712 -12.875 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.354 -12.059 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.809 -13.998 -3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.570 -14.403 -4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.089 -14.012 -3.218 1.00 0.00 H new ATOM 636 N ASP A 41 -4.242 -11.023 -2.322 1.00 0.00 N ATOM 637 CA ASP A 41 -4.506 -10.036 -1.263 1.00 0.00 C ATOM 638 C ASP A 41 -4.013 -8.627 -1.640 1.00 0.00 C ATOM 639 O ASP A 41 -4.698 -7.645 -1.350 1.00 0.00 O ATOM 640 CB ASP A 41 -3.859 -10.505 0.045 1.00 0.00 C ATOM 641 CG ASP A 41 -4.221 -9.570 1.212 1.00 0.00 C ATOM 642 OD1 ASP A 41 -5.320 -9.738 1.794 1.00 0.00 O ATOM 643 OD2 ASP A 41 -3.397 -8.691 1.557 1.00 0.00 O ATOM 0 H ASP A 41 -3.295 -11.402 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.586 -9.964 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.187 -11.519 0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.776 -10.540 -0.074 1.00 0.00 H new ATOM 648 N GLY A 42 -2.881 -8.509 -2.346 1.00 0.00 N ATOM 649 CA GLY A 42 -2.288 -7.230 -2.752 1.00 0.00 C ATOM 650 C GLY A 42 -3.187 -6.382 -3.643 1.00 0.00 C ATOM 651 O GLY A 42 -3.274 -5.169 -3.449 1.00 0.00 O ATOM 0 H GLY A 42 -2.342 -9.317 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.037 -6.658 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.354 -7.426 -3.278 1.00 0.00 H new ATOM 655 N LYS A 43 -3.923 -7.019 -4.561 1.00 0.00 N ATOM 656 CA LYS A 43 -4.986 -6.404 -5.359 1.00 0.00 C ATOM 657 C LYS A 43 -6.067 -5.764 -4.496 1.00 0.00 C ATOM 658 O LYS A 43 -6.520 -4.663 -4.799 1.00 0.00 O ATOM 659 CB LYS A 43 -5.579 -7.502 -6.271 1.00 0.00 C ATOM 660 CG LYS A 43 -6.858 -7.078 -7.006 1.00 0.00 C ATOM 661 CD LYS A 43 -8.102 -7.716 -6.369 1.00 0.00 C ATOM 662 CE LYS A 43 -9.325 -6.894 -6.763 1.00 0.00 C ATOM 663 NZ LYS A 43 -10.567 -7.415 -6.137 1.00 0.00 N ATOM 0 H LYS A 43 -3.790 -8.007 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.567 -5.593 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.829 -7.794 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.794 -8.384 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.951 -5.992 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.792 -7.370 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.214 -8.746 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.999 -7.745 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.176 -5.856 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.434 -6.902 -7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.394 -7.045 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.569 -8.454 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.609 -7.111 -5.143 1.00 0.00 H new ATOM 677 N GLU A 44 -6.499 -6.435 -3.434 1.00 0.00 N ATOM 678 CA GLU A 44 -7.556 -5.911 -2.580 1.00 0.00 C ATOM 679 C GLU A 44 -7.014 -4.788 -1.682 1.00 0.00 C ATOM 680 O GLU A 44 -7.620 -3.720 -1.608 1.00 0.00 O ATOM 681 CB GLU A 44 -8.162 -7.066 -1.765 1.00 0.00 C ATOM 682 CG GLU A 44 -9.547 -6.724 -1.206 1.00 0.00 C ATOM 683 CD GLU A 44 -10.604 -6.462 -2.302 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.545 -7.095 -3.385 1.00 0.00 O ATOM 685 OE2 GLU A 44 -11.502 -5.612 -2.092 1.00 0.00 O ATOM 0 H GLU A 44 -6.133 -7.342 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.346 -5.472 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.237 -7.952 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.493 -7.316 -0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.887 -7.543 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.467 -5.842 -0.571 1.00 0.00 H new ATOM 692 N LEU A 45 -5.828 -4.988 -1.091 1.00 0.00 N ATOM 693 CA LEU A 45 -5.090 -4.013 -0.281 1.00 0.00 C ATOM 694 C LEU A 45 -4.876 -2.698 -1.046 1.00 0.00 C ATOM 695 O LEU A 45 -5.318 -1.647 -0.589 1.00 0.00 O ATOM 696 CB LEU A 45 -3.782 -4.691 0.200 1.00 0.00 C ATOM 697 CG LEU A 45 -2.738 -3.769 0.873 1.00 0.00 C ATOM 698 CD1 LEU A 45 -1.969 -4.478 2.000 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.708 -3.254 -0.140 1.00 0.00 C ATOM 0 H LEU A 45 -5.335 -5.877 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.662 -3.720 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.045 -5.481 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.311 -5.172 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.309 -2.940 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.249 -3.788 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.670 -4.808 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.442 -5.342 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.990 -2.609 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.184 -4.099 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.217 -2.687 -0.920 1.00 0.00 H new ATOM 711 N LYS A 46 -4.299 -2.736 -2.252 1.00 0.00 N ATOM 712 CA LYS A 46 -4.065 -1.523 -3.059 1.00 0.00 C ATOM 713 C LYS A 46 -5.355 -0.855 -3.540 1.00 0.00 C ATOM 714 O LYS A 46 -5.349 0.346 -3.792 1.00 0.00 O ATOM 715 CB LYS A 46 -3.095 -1.817 -4.220 1.00 0.00 C ATOM 716 CG LYS A 46 -3.741 -2.623 -5.358 1.00 0.00 C ATOM 717 CD LYS A 46 -4.225 -1.775 -6.546 1.00 0.00 C ATOM 718 CE LYS A 46 -5.165 -2.604 -7.434 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.594 -1.844 -8.638 1.00 0.00 N ATOM 0 H LYS A 46 -3.982 -3.597 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.594 -0.794 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.719 -0.875 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.235 -2.367 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.021 -3.356 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.588 -3.180 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.743 -0.887 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.371 -1.430 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.661 -3.520 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.042 -2.900 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.227 -2.435 -9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.096 -0.982 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.759 -1.583 -9.200 1.00 0.00 H new ATOM 733 N SER A 47 -6.443 -1.619 -3.683 1.00 0.00 N ATOM 734 CA SER A 47 -7.759 -1.118 -4.111 1.00 0.00 C ATOM 735 C SER A 47 -8.487 -0.365 -2.989 1.00 0.00 C ATOM 736 O SER A 47 -9.195 0.608 -3.256 1.00 0.00 O ATOM 737 CB SER A 47 -8.620 -2.281 -4.619 1.00 0.00 C ATOM 738 OG SER A 47 -9.828 -1.807 -5.188 1.00 0.00 O ATOM 0 H SER A 47 -6.436 -2.623 -3.502 1.00 0.00 H new ATOM 0 HA SER A 47 -7.593 -0.406 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.064 -2.853 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.843 -2.960 -3.796 1.00 0.00 H new ATOM 0 HG SER A 47 -10.360 -2.566 -5.506 1.00 0.00 H new ATOM 744 N VAL A 48 -8.260 -0.743 -1.723 1.00 0.00 N ATOM 745 CA VAL A 48 -8.802 -0.031 -0.552 1.00 0.00 C ATOM 746 C VAL A 48 -7.888 1.095 -0.033 1.00 0.00 C ATOM 747 O VAL A 48 -8.376 2.009 0.630 1.00 0.00 O ATOM 748 CB VAL A 48 -9.175 -1.022 0.567 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.952 -1.698 1.167 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.887 -0.343 1.733 1.00 0.00 C ATOM 0 H VAL A 48 -7.693 -1.555 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.710 0.468 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.828 -1.747 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.265 -2.387 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.423 -2.249 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.290 -0.943 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.128 -1.085 2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.237 0.419 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.806 0.123 1.377 1.00 0.00 H new ATOM 760 N ILE A 49 -6.584 1.093 -0.355 1.00 0.00 N ATOM 761 CA ILE A 49 -5.671 2.183 0.037 1.00 0.00 C ATOM 762 C ILE A 49 -6.233 3.567 -0.359 1.00 0.00 C ATOM 763 O ILE A 49 -6.278 4.442 0.506 1.00 0.00 O ATOM 764 CB ILE A 49 -4.220 1.981 -0.489 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.458 0.981 0.411 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.409 3.297 -0.542 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.052 0.587 -0.065 1.00 0.00 C ATOM 0 H ILE A 49 -6.136 0.347 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.607 2.149 1.125 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.317 1.598 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.375 1.410 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.057 0.075 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.406 3.092 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.906 4.004 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.342 3.724 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.613 -0.117 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.118 0.121 -1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.426 1.477 -0.127 1.00 0.00 H new ATOM 779 N PRO A 50 -6.705 3.794 -1.607 1.00 0.00 N ATOM 780 CA PRO A 50 -7.258 5.090 -2.003 1.00 0.00 C ATOM 781 C PRO A 50 -8.651 5.350 -1.401 1.00 0.00 C ATOM 782 O PRO A 50 -9.034 6.503 -1.215 1.00 0.00 O ATOM 783 CB PRO A 50 -7.308 5.060 -3.535 1.00 0.00 C ATOM 784 CG PRO A 50 -7.470 3.576 -3.856 1.00 0.00 C ATOM 785 CD PRO A 50 -6.682 2.891 -2.753 1.00 0.00 C ATOM 0 HA PRO A 50 -6.638 5.905 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.141 5.648 -3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.398 5.469 -3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.518 3.275 -3.848 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.076 3.333 -4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.127 1.929 -2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.658 2.694 -3.072 1.00 0.00 H new ATOM 793 N ASP A 51 -9.409 4.311 -1.032 1.00 0.00 N ATOM 794 CA ASP A 51 -10.689 4.449 -0.313 1.00 0.00 C ATOM 795 C ASP A 51 -10.502 5.044 1.094 1.00 0.00 C ATOM 796 O ASP A 51 -11.343 5.821 1.552 1.00 0.00 O ATOM 797 CB ASP A 51 -11.414 3.095 -0.227 1.00 0.00 C ATOM 798 CG ASP A 51 -12.561 2.980 -1.241 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.312 3.041 -2.468 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.720 2.827 -0.793 1.00 0.00 O ATOM 0 H ASP A 51 -9.153 3.342 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.303 5.145 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.698 2.291 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.808 2.960 0.780 1.00 0.00 H new ATOM 805 N ALA A 52 -9.367 4.774 1.749 1.00 0.00 N ATOM 806 CA ALA A 52 -8.974 5.453 2.988 1.00 0.00 C ATOM 807 C ALA A 52 -8.705 6.966 2.808 1.00 0.00 C ATOM 808 O ALA A 52 -8.608 7.694 3.796 1.00 0.00 O ATOM 809 CB ALA A 52 -7.773 4.721 3.598 1.00 0.00 C ATOM 0 H ALA A 52 -8.693 4.076 1.433 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.817 5.407 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.473 5.219 4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.048 3.689 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.942 4.734 2.892 1.00 0.00 H new ATOM 815 N LEU A 53 -8.641 7.449 1.559 1.00 0.00 N ATOM 816 CA LEU A 53 -8.414 8.850 1.174 1.00 0.00 C ATOM 817 C LEU A 53 -9.667 9.493 0.534 1.00 0.00 C ATOM 818 O LEU A 53 -9.710 10.711 0.350 1.00 0.00 O ATOM 819 CB LEU A 53 -7.220 8.936 0.195 1.00 0.00 C ATOM 820 CG LEU A 53 -6.019 8.009 0.469 1.00 0.00 C ATOM 821 CD1 LEU A 53 -4.977 8.111 -0.643 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.332 8.303 1.800 1.00 0.00 C ATOM 0 H LEU A 53 -8.752 6.841 0.747 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.191 9.408 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.589 8.724 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.859 9.965 0.191 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.433 7.001 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.142 7.446 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.429 7.823 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.615 9.137 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.495 7.618 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.965 9.329 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.045 8.171 2.614 1.00 0.00 H new ATOM 834 N SER A 54 -10.689 8.687 0.212 1.00 0.00 N ATOM 835 CA SER A 54 -11.904 9.090 -0.522 1.00 0.00 C ATOM 836 C SER A 54 -13.169 9.053 0.349 1.00 0.00 C ATOM 837 O SER A 54 -14.043 9.916 0.236 1.00 0.00 O ATOM 838 CB SER A 54 -12.091 8.150 -1.722 1.00 0.00 C ATOM 839 OG SER A 54 -12.960 8.731 -2.682 1.00 0.00 O ATOM 0 H SER A 54 -10.695 7.699 0.464 1.00 0.00 H new ATOM 0 HA SER A 54 -11.766 10.122 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.124 7.939 -2.179 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.499 7.197 -1.384 1.00 0.00 H new ATOM 0 HG SER A 54 -13.066 8.119 -3.440 1.00 0.00 H new ATOM 845 N ASN A 55 -13.241 8.082 1.267 1.00 0.00 N ATOM 846 CA ASN A 55 -14.343 7.857 2.212 1.00 0.00 C ATOM 847 C ASN A 55 -13.824 7.341 3.570 1.00 0.00 C ATOM 848 O ASN A 55 -14.559 6.683 4.302 1.00 0.00 O ATOM 849 CB ASN A 55 -15.415 6.935 1.575 1.00 0.00 C ATOM 850 CG ASN A 55 -14.864 5.875 0.635 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.856 6.033 -0.578 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.380 4.772 1.150 1.00 0.00 N ATOM 0 H ASN A 55 -12.494 7.396 1.377 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.828 8.809 2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.970 6.441 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.127 7.553 1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.998 4.049 0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.385 4.636 2.161 1.00 0.00 H new ATOM 859 N GLU A 56 -12.554 7.604 3.911 1.00 0.00 N ATOM 860 CA GLU A 56 -11.907 7.209 5.178 1.00 0.00 C ATOM 861 C GLU A 56 -12.091 5.715 5.535 1.00 0.00 C ATOM 862 O GLU A 56 -12.179 5.340 6.706 1.00 0.00 O ATOM 863 CB GLU A 56 -12.334 8.167 6.310 1.00 0.00 C ATOM 864 CG GLU A 56 -11.972 9.630 6.012 1.00 0.00 C ATOM 865 CD GLU A 56 -12.326 10.539 7.205 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.468 11.059 7.263 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.463 10.752 8.093 1.00 0.00 O ATOM 0 H GLU A 56 -11.924 8.115 3.293 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.830 7.309 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.410 8.087 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.856 7.860 7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.907 9.708 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.505 9.967 5.123 1.00 0.00 H new ATOM 874 N CYS A 57 -12.167 4.852 4.509 1.00 0.00 N ATOM 875 CA CYS A 57 -12.447 3.415 4.624 1.00 0.00 C ATOM 876 C CYS A 57 -13.787 3.096 5.340 1.00 0.00 C ATOM 877 O CYS A 57 -13.935 2.057 5.978 1.00 0.00 O ATOM 878 CB CYS A 57 -11.232 2.717 5.267 1.00 0.00 C ATOM 879 SG CYS A 57 -10.776 1.073 4.636 1.00 0.00 S ATOM 0 H CYS A 57 -12.030 5.148 3.543 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.592 3.013 3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.369 3.372 5.153 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.424 2.626 6.336 1.00 0.00 H new ATOM 884 N ALA A 58 -14.789 3.979 5.281 1.00 0.00 N ATOM 885 CA ALA A 58 -16.041 3.808 6.024 1.00 0.00 C ATOM 886 C ALA A 58 -16.890 2.598 5.583 1.00 0.00 C ATOM 887 O ALA A 58 -17.638 2.045 6.393 1.00 0.00 O ATOM 888 CB ALA A 58 -16.838 5.116 5.918 1.00 0.00 C ATOM 0 H ALA A 58 -14.755 4.829 4.719 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.782 3.587 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.776 5.016 6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.256 5.933 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.049 5.330 4.870 1.00 0.00 H new ATOM 894 N LYS A 59 -16.751 2.155 4.324 1.00 0.00 N ATOM 895 CA LYS A 59 -17.420 0.952 3.782 1.00 0.00 C ATOM 896 C LYS A 59 -16.622 -0.356 3.971 1.00 0.00 C ATOM 897 O LYS A 59 -17.077 -1.422 3.552 1.00 0.00 O ATOM 898 CB LYS A 59 -17.771 1.184 2.296 1.00 0.00 C ATOM 899 CG LYS A 59 -18.635 2.428 2.018 1.00 0.00 C ATOM 900 CD LYS A 59 -19.967 2.436 2.785 1.00 0.00 C ATOM 901 CE LYS A 59 -20.816 3.641 2.360 1.00 0.00 C ATOM 902 NZ LYS A 59 -22.104 3.691 3.102 1.00 0.00 N ATOM 0 H LYS A 59 -16.162 2.628 3.639 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.331 0.809 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.844 1.270 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.295 0.305 1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.068 3.320 2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.840 2.486 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.512 1.512 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.777 2.476 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.258 4.561 2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.014 3.588 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.653 4.518 2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.647 2.824 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.914 3.766 4.122 1.00 0.00 H new ATOM 916 N CYS A 60 -15.434 -0.283 4.572 1.00 0.00 N ATOM 917 CA CYS A 60 -14.509 -1.391 4.784 1.00 0.00 C ATOM 918 C CYS A 60 -14.904 -2.317 5.947 1.00 0.00 C ATOM 919 O CYS A 60 -15.717 -1.977 6.809 1.00 0.00 O ATOM 920 CB CYS A 60 -13.144 -0.778 5.103 1.00 0.00 C ATOM 921 SG CYS A 60 -12.447 0.252 3.793 1.00 0.00 S ATOM 0 H CYS A 60 -15.075 0.597 4.942 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.510 -2.005 3.883 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.234 -0.177 6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.443 -1.583 5.324 1.00 0.00 H new ATOM 926 N ASN A 61 -14.218 -3.458 6.015 1.00 0.00 N ATOM 927 CA ASN A 61 -14.087 -4.283 7.219 1.00 0.00 C ATOM 928 C ASN A 61 -12.955 -3.756 8.117 1.00 0.00 C ATOM 929 O ASN A 61 -11.965 -3.204 7.631 1.00 0.00 O ATOM 930 CB ASN A 61 -13.856 -5.759 6.825 1.00 0.00 C ATOM 931 CG ASN A 61 -12.695 -6.019 5.874 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.480 -5.322 4.896 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.910 -7.045 6.107 1.00 0.00 N ATOM 0 H ASN A 61 -13.723 -3.846 5.212 1.00 0.00 H new ATOM 0 HA ASN A 61 -15.013 -4.225 7.792 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.692 -6.336 7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.769 -6.140 6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.135 -7.248 5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.075 -7.639 6.920 1.00 0.00 H new ATOM 940 N GLU A 62 -13.071 -3.972 9.431 1.00 0.00 N ATOM 941 CA GLU A 62 -12.124 -3.480 10.451 1.00 0.00 C ATOM 942 C GLU A 62 -10.654 -3.842 10.177 1.00 0.00 C ATOM 943 O GLU A 62 -9.748 -3.063 10.483 1.00 0.00 O ATOM 944 CB GLU A 62 -12.561 -3.967 11.846 1.00 0.00 C ATOM 945 CG GLU A 62 -12.504 -5.492 12.044 1.00 0.00 C ATOM 946 CD GLU A 62 -13.041 -5.885 13.434 1.00 0.00 C ATOM 947 OE1 GLU A 62 -12.249 -5.931 14.406 1.00 0.00 O ATOM 948 OE2 GLU A 62 -14.261 -6.154 13.565 1.00 0.00 O ATOM 0 H GLU A 62 -13.843 -4.506 9.830 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.161 -2.392 10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.927 -3.493 12.596 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.581 -3.629 12.031 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.091 -5.986 11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.477 -5.839 11.935 1.00 0.00 H new ATOM 955 N LYS A 63 -10.417 -5.000 9.546 1.00 0.00 N ATOM 956 CA LYS A 63 -9.071 -5.485 9.209 1.00 0.00 C ATOM 957 C LYS A 63 -8.373 -4.606 8.175 1.00 0.00 C ATOM 958 O LYS A 63 -7.183 -4.342 8.312 1.00 0.00 O ATOM 959 CB LYS A 63 -9.142 -6.930 8.715 1.00 0.00 C ATOM 960 CG LYS A 63 -9.657 -7.868 9.820 1.00 0.00 C ATOM 961 CD LYS A 63 -9.389 -9.340 9.487 1.00 0.00 C ATOM 962 CE LYS A 63 -8.158 -9.937 10.195 1.00 0.00 C ATOM 963 NZ LYS A 63 -6.894 -9.187 9.954 1.00 0.00 N ATOM 0 H LYS A 63 -11.161 -5.633 9.252 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.475 -5.439 10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.800 -6.989 7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.154 -7.255 8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.176 -7.616 10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.728 -7.715 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.268 -9.927 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.257 -9.438 8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.350 -9.970 11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.026 -10.967 9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.114 -9.650 10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.685 -9.177 8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.999 -8.210 10.296 1.00 0.00 H new ATOM 977 N GLN A 64 -9.110 -4.117 7.178 1.00 0.00 N ATOM 978 CA GLN A 64 -8.612 -3.130 6.213 1.00 0.00 C ATOM 979 C GLN A 64 -8.499 -1.735 6.839 1.00 0.00 C ATOM 980 O GLN A 64 -7.473 -1.083 6.661 1.00 0.00 O ATOM 981 CB GLN A 64 -9.532 -3.066 4.986 1.00 0.00 C ATOM 982 CG GLN A 64 -9.589 -4.365 4.170 1.00 0.00 C ATOM 983 CD GLN A 64 -8.364 -4.638 3.298 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.220 -4.371 3.637 1.00 0.00 O ATOM 985 NE2 GLN A 64 -8.578 -5.183 2.124 1.00 0.00 N ATOM 0 H GLN A 64 -10.077 -4.395 7.014 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.617 -3.451 5.906 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.540 -2.813 5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.196 -2.257 4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.720 -5.201 4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.471 -4.336 3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.529 -5.409 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.793 -5.380 1.503 1.00 0.00 H new ATOM 994 N LYS A 65 -9.508 -1.302 7.614 1.00 0.00 N ATOM 995 CA LYS A 65 -9.512 0.003 8.316 1.00 0.00 C ATOM 996 C LYS A 65 -8.256 0.232 9.163 1.00 0.00 C ATOM 997 O LYS A 65 -7.666 1.311 9.106 1.00 0.00 O ATOM 998 CB LYS A 65 -10.763 0.169 9.197 1.00 0.00 C ATOM 999 CG LYS A 65 -12.056 0.223 8.373 1.00 0.00 C ATOM 1000 CD LYS A 65 -13.336 0.419 9.199 1.00 0.00 C ATOM 1001 CE LYS A 65 -13.345 1.758 9.948 1.00 0.00 C ATOM 1002 NZ LYS A 65 -14.621 1.968 10.682 1.00 0.00 N ATOM 0 H LYS A 65 -10.354 -1.849 7.775 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.524 0.756 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.820 -0.660 9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.672 1.082 9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.977 1.036 7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.146 -0.701 7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.203 0.368 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.432 -0.397 9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.512 1.788 10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.194 2.573 9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.591 2.883 11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.414 1.964 10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.752 1.204 11.375 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.827 -0.773 9.927 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.526 -0.753 10.610 1.00 0.00 C ATOM 1018 C GLU A 66 -5.359 -1.064 9.659 1.00 0.00 C ATOM 1019 O GLU A 66 -4.350 -0.361 9.681 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.527 -1.746 11.787 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.533 -1.397 12.899 1.00 0.00 C ATOM 1022 CD GLU A 66 -7.347 0.022 13.476 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.192 0.495 13.607 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -8.362 0.688 13.794 1.00 0.00 O ATOM 0 H GLU A 66 -8.367 -1.623 10.092 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.377 0.259 10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.751 -2.743 11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.526 -1.786 12.216 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.545 -1.490 12.505 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.437 -2.124 13.706 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.498 -2.094 8.818 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.443 -2.647 7.966 1.00 0.00 C ATOM 1033 C GLY A 67 -3.825 -1.654 6.986 1.00 0.00 C ATOM 1034 O GLY A 67 -2.621 -1.416 7.043 1.00 0.00 O ATOM 0 H GLY A 67 -6.386 -2.585 8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.654 -3.047 8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.853 -3.485 7.402 1.00 0.00 H new ATOM 1038 N THR A 68 -4.602 -1.021 6.106 1.00 0.00 N ATOM 1039 CA THR A 68 -4.021 -0.059 5.151 1.00 0.00 C ATOM 1040 C THR A 68 -3.461 1.175 5.852 1.00 0.00 C ATOM 1041 O THR A 68 -2.395 1.648 5.466 1.00 0.00 O ATOM 1042 CB THR A 68 -5.014 0.375 4.069 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.208 0.864 4.637 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.321 -0.801 3.151 1.00 0.00 C ATOM 0 H THR A 68 -5.611 -1.148 6.029 1.00 0.00 H new ATOM 0 HA THR A 68 -3.203 -0.592 4.666 1.00 0.00 H new ATOM 0 HB THR A 68 -4.559 1.181 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.639 0.153 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.028 -0.488 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.400 -1.144 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.755 -1.614 3.734 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.109 1.643 6.929 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.660 2.764 7.776 1.00 0.00 C ATOM 1054 C LYS A 69 -2.271 2.532 8.389 1.00 0.00 C ATOM 1055 O LYS A 69 -1.425 3.423 8.325 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.743 3.024 8.838 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.399 4.165 9.810 1.00 0.00 C ATOM 1058 CD LYS A 69 -5.576 4.524 10.736 1.00 0.00 C ATOM 1059 CE LYS A 69 -6.130 3.353 11.565 1.00 0.00 C ATOM 1060 NZ LYS A 69 -5.156 2.843 12.566 1.00 0.00 N ATOM 0 H LYS A 69 -4.990 1.240 7.247 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.536 3.654 7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.682 3.258 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.906 2.110 9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.540 3.876 10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.106 5.047 9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.256 5.312 11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.384 4.935 10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.037 3.674 12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.413 2.542 10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.433 1.886 12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.207 2.813 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.146 3.473 13.393 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.997 1.344 8.945 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.653 0.974 9.445 1.00 0.00 C ATOM 1076 C LYS A 70 0.337 0.685 8.316 1.00 0.00 C ATOM 1077 O LYS A 70 1.470 1.159 8.366 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.718 -0.133 10.526 1.00 0.00 C ATOM 1079 CG LYS A 70 -1.394 -1.471 10.163 1.00 0.00 C ATOM 1080 CD LYS A 70 -0.450 -2.629 9.792 1.00 0.00 C ATOM 1081 CE LYS A 70 0.218 -3.284 11.014 1.00 0.00 C ATOM 1082 NZ LYS A 70 -0.741 -4.066 11.842 1.00 0.00 N ATOM 0 H LYS A 70 -2.695 0.609 9.064 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.248 1.850 9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.303 -0.351 10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.238 0.278 11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.007 -1.786 11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.070 -1.298 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.012 -3.386 9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.323 -2.257 9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.020 -3.941 10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.677 -2.511 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.220 -4.594 12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.414 -3.418 12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.260 -4.733 11.236 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.058 -0.042 7.274 1.00 0.00 N ATOM 1097 CA VAL A 71 0.809 -0.366 6.115 1.00 0.00 C ATOM 1098 C VAL A 71 1.327 0.872 5.390 1.00 0.00 C ATOM 1099 O VAL A 71 2.524 0.943 5.119 1.00 0.00 O ATOM 1100 CB VAL A 71 0.079 -1.320 5.154 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.832 -1.552 3.836 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.104 -2.669 5.862 1.00 0.00 C ATOM 0 H VAL A 71 -0.997 -0.433 7.198 1.00 0.00 H new ATOM 0 HA VAL A 71 1.693 -0.870 6.506 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.874 -0.858 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.261 -2.234 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.961 -0.601 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.810 -1.985 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.620 -3.362 5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.872 -3.077 6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.694 -2.528 6.768 1.00 0.00 H new ATOM 1112 N LEU A 72 0.477 1.878 5.167 1.00 0.00 N ATOM 1113 CA LEU A 72 0.843 3.175 4.583 1.00 0.00 C ATOM 1114 C LEU A 72 2.066 3.795 5.259 1.00 0.00 C ATOM 1115 O LEU A 72 2.974 4.248 4.565 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.420 4.064 4.580 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.313 5.586 4.790 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.665 6.167 4.388 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.074 5.963 6.259 1.00 0.00 C ATOM 0 H LEU A 72 -0.515 1.812 5.394 1.00 0.00 H new ATOM 0 HA LEU A 72 1.172 3.054 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.920 3.907 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.084 3.680 5.354 1.00 0.00 H new ATOM 0 HG LEU A 72 0.526 5.965 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.649 7.249 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.867 5.929 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.446 5.739 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.007 7.047 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.902 5.599 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.856 5.511 6.604 1.00 0.00 H new ATOM 1131 N LYS A 73 2.134 3.747 6.597 1.00 0.00 N ATOM 1132 CA LYS A 73 3.207 4.368 7.385 1.00 0.00 C ATOM 1133 C LYS A 73 4.539 3.640 7.189 1.00 0.00 C ATOM 1134 O LYS A 73 5.571 4.272 6.967 1.00 0.00 O ATOM 1135 CB LYS A 73 2.774 4.362 8.866 1.00 0.00 C ATOM 1136 CG LYS A 73 3.791 4.988 9.836 1.00 0.00 C ATOM 1137 CD LYS A 73 4.188 6.436 9.508 1.00 0.00 C ATOM 1138 CE LYS A 73 3.022 7.439 9.512 1.00 0.00 C ATOM 1139 NZ LYS A 73 2.405 7.593 10.859 1.00 0.00 N ATOM 0 H LYS A 73 1.437 3.270 7.169 1.00 0.00 H new ATOM 0 HA LYS A 73 3.367 5.393 7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.829 4.898 8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.587 3.333 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.376 4.959 10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.691 4.372 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.935 6.766 10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.662 6.455 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.381 8.409 9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.262 7.110 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.625 8.279 10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.037 6.674 11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.121 7.933 11.532 1.00 0.00 H new ATOM 1153 N HIS A 74 4.506 2.307 7.213 1.00 0.00 N ATOM 1154 CA HIS A 74 5.661 1.445 6.922 1.00 0.00 C ATOM 1155 C HIS A 74 6.152 1.646 5.488 1.00 0.00 C ATOM 1156 O HIS A 74 7.348 1.810 5.281 1.00 0.00 O ATOM 1157 CB HIS A 74 5.314 -0.033 7.155 1.00 0.00 C ATOM 1158 CG HIS A 74 4.949 -0.380 8.573 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.691 -0.257 9.120 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.742 -0.997 9.502 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.694 -0.821 10.337 1.00 0.00 C ATOM 1162 NE2 HIS A 74 4.945 -1.252 10.608 1.00 0.00 N ATOM 0 H HIS A 74 3.661 1.782 7.439 1.00 0.00 H new ATOM 0 HA HIS A 74 6.462 1.729 7.605 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.482 -0.303 6.504 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.166 -0.643 6.854 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.890 0.189 8.674 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.789 -1.239 9.394 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.839 -0.915 10.991 1.00 0.00 H new ATOM 1171 N LEU A 75 5.250 1.684 4.507 1.00 0.00 N ATOM 1172 CA LEU A 75 5.601 1.862 3.096 1.00 0.00 C ATOM 1173 C LEU A 75 6.325 3.195 2.854 1.00 0.00 C ATOM 1174 O LEU A 75 7.380 3.199 2.225 1.00 0.00 O ATOM 1175 CB LEU A 75 4.323 1.760 2.238 1.00 0.00 C ATOM 1176 CG LEU A 75 4.178 0.434 1.476 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.337 -0.800 2.373 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.811 0.403 0.791 1.00 0.00 C ATOM 0 H LEU A 75 4.247 1.591 4.669 1.00 0.00 H new ATOM 0 HA LEU A 75 6.294 1.072 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.455 1.892 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.314 2.581 1.521 1.00 0.00 H new ATOM 0 HG LEU A 75 4.984 0.390 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.223 -1.703 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.326 -0.791 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.575 -0.784 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.698 -0.535 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.026 0.484 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.734 1.238 0.095 1.00 0.00 H new ATOM 1190 N ILE A 76 5.829 4.312 3.402 1.00 0.00 N ATOM 1191 CA ILE A 76 6.525 5.610 3.299 1.00 0.00 C ATOM 1192 C ILE A 76 7.868 5.613 4.058 1.00 0.00 C ATOM 1193 O ILE A 76 8.844 6.182 3.573 1.00 0.00 O ATOM 1194 CB ILE A 76 5.572 6.769 3.687 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.106 8.164 3.320 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.081 6.789 5.140 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.939 8.879 4.396 1.00 0.00 C ATOM 0 H ILE A 76 4.951 4.348 3.921 1.00 0.00 H new ATOM 0 HA ILE A 76 6.802 5.776 2.258 1.00 0.00 H new ATOM 0 HB ILE A 76 4.705 6.537 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.715 8.071 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.257 8.799 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.422 7.645 5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.535 5.870 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.936 6.867 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.259 9.851 4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.335 9.016 5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.815 8.277 4.638 1.00 0.00 H new ATOM 1209 N ASN A 77 7.959 4.915 5.199 1.00 0.00 N ATOM 1210 CA ASN A 77 9.206 4.757 5.969 1.00 0.00 C ATOM 1211 C ASN A 77 10.282 3.910 5.260 1.00 0.00 C ATOM 1212 O ASN A 77 11.470 4.224 5.349 1.00 0.00 O ATOM 1213 CB ASN A 77 8.883 4.138 7.345 1.00 0.00 C ATOM 1214 CG ASN A 77 8.621 5.198 8.397 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.457 5.454 9.250 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.489 5.861 8.344 1.00 0.00 N ATOM 0 H ASN A 77 7.161 4.438 5.620 1.00 0.00 H new ATOM 0 HA ASN A 77 9.629 5.756 6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.010 3.492 7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.714 3.509 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.299 6.600 9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.800 5.637 7.626 1.00 0.00 H new ATOM 1223 N HIS A 78 9.876 2.831 4.579 1.00 0.00 N ATOM 1224 CA HIS A 78 10.772 1.755 4.110 1.00 0.00 C ATOM 1225 C HIS A 78 10.928 1.655 2.588 1.00 0.00 C ATOM 1226 O HIS A 78 11.925 1.114 2.106 1.00 0.00 O ATOM 1227 CB HIS A 78 10.263 0.416 4.659 1.00 0.00 C ATOM 1228 CG HIS A 78 10.452 0.259 6.151 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.666 0.094 6.797 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.470 0.259 7.106 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.429 -0.001 8.121 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.099 0.099 8.331 1.00 0.00 N ATOM 0 H HIS A 78 8.899 2.674 4.332 1.00 0.00 H new ATOM 0 HA HIS A 78 11.764 2.003 4.486 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.203 0.316 4.424 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.781 -0.396 4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.408 0.364 6.937 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.179 -0.135 8.887 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.635 0.063 9.239 1.00 0.00 H new ATOM 1241 N LYS A 79 9.978 2.204 1.831 1.00 0.00 N ATOM 1242 CA LYS A 79 9.977 2.298 0.363 1.00 0.00 C ATOM 1243 C LYS A 79 9.623 3.724 -0.088 1.00 0.00 C ATOM 1244 O LYS A 79 8.700 3.896 -0.876 1.00 0.00 O ATOM 1245 CB LYS A 79 9.039 1.208 -0.213 1.00 0.00 C ATOM 1246 CG LYS A 79 9.670 -0.186 -0.353 1.00 0.00 C ATOM 1247 CD LYS A 79 10.584 -0.326 -1.584 1.00 0.00 C ATOM 1248 CE LYS A 79 11.949 0.360 -1.419 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.983 -0.215 -2.322 1.00 0.00 N ATOM 0 H LYS A 79 9.142 2.618 2.243 1.00 0.00 H new ATOM 0 HA LYS A 79 10.974 2.107 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.161 1.130 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.690 1.532 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.247 -0.407 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.876 -0.931 -0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.742 -1.385 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.077 0.096 -2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.844 1.426 -1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.279 0.264 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.886 0.279 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.104 -1.226 -2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.683 -0.100 -3.311 1.00 0.00 H new ATOM 1263 N PRO A 80 10.353 4.758 0.372 1.00 0.00 N ATOM 1264 CA PRO A 80 10.020 6.164 0.106 1.00 0.00 C ATOM 1265 C PRO A 80 10.016 6.511 -1.394 1.00 0.00 C ATOM 1266 O PRO A 80 9.115 7.194 -1.878 1.00 0.00 O ATOM 1267 CB PRO A 80 11.068 6.973 0.878 1.00 0.00 C ATOM 1268 CG PRO A 80 12.260 6.022 0.982 1.00 0.00 C ATOM 1269 CD PRO A 80 11.610 4.648 1.100 1.00 0.00 C ATOM 0 HA PRO A 80 9.004 6.392 0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.333 7.890 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.702 7.265 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.903 6.088 0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.880 6.249 1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.246 3.873 0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.439 4.381 2.143 1.00 0.00 H new ATOM 1277 N ASP A 81 10.993 5.994 -2.145 1.00 0.00 N ATOM 1278 CA ASP A 81 11.110 6.197 -3.599 1.00 0.00 C ATOM 1279 C ASP A 81 9.952 5.572 -4.408 1.00 0.00 C ATOM 1280 O ASP A 81 9.507 6.149 -5.401 1.00 0.00 O ATOM 1281 CB ASP A 81 12.458 5.628 -4.061 1.00 0.00 C ATOM 1282 CG ASP A 81 12.716 5.889 -5.555 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.064 7.040 -5.916 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.596 4.940 -6.365 1.00 0.00 O ATOM 0 H ASP A 81 11.737 5.414 -1.758 1.00 0.00 H new ATOM 0 HA ASP A 81 11.052 7.269 -3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.260 6.073 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.482 4.555 -3.872 1.00 0.00 H new ATOM 1289 N VAL A 82 9.439 4.408 -3.984 1.00 0.00 N ATOM 1290 CA VAL A 82 8.264 3.763 -4.606 1.00 0.00 C ATOM 1291 C VAL A 82 6.952 4.354 -4.087 1.00 0.00 C ATOM 1292 O VAL A 82 6.032 4.587 -4.871 1.00 0.00 O ATOM 1293 CB VAL A 82 8.288 2.236 -4.424 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.056 1.599 -5.075 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.540 1.622 -5.066 1.00 0.00 C ATOM 0 H VAL A 82 9.825 3.883 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 82 8.321 3.970 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 82 8.293 2.039 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.089 0.518 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.153 1.997 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.048 1.828 -6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.530 0.542 -4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.549 1.846 -6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.431 2.042 -4.600 1.00 0.00 H new ATOM 1305 N TRP A 83 6.869 4.677 -2.794 1.00 0.00 N ATOM 1306 CA TRP A 83 5.761 5.432 -2.206 1.00 0.00 C ATOM 1307 C TRP A 83 5.466 6.724 -2.977 1.00 0.00 C ATOM 1308 O TRP A 83 4.302 7.006 -3.253 1.00 0.00 O ATOM 1309 CB TRP A 83 6.076 5.742 -0.737 1.00 0.00 C ATOM 1310 CG TRP A 83 5.266 6.866 -0.175 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.712 8.126 0.029 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.839 6.898 0.115 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.671 8.926 0.456 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.488 8.223 0.515 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.805 5.943 0.045 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.174 8.578 0.846 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.475 6.299 0.333 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.165 7.610 0.730 1.00 0.00 C ATOM 0 H TRP A 83 7.583 4.416 -2.114 1.00 0.00 H new ATOM 0 HA TRP A 83 4.864 4.816 -2.268 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.903 4.847 -0.140 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.134 5.986 -0.645 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.729 8.457 -0.120 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.766 9.913 0.697 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.037 4.925 -0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.942 9.577 1.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.690 5.562 0.249 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.141 7.875 0.948 1.00 0.00 H new ATOM 1329 N ALA A 84 6.493 7.462 -3.409 1.00 0.00 N ATOM 1330 CA ALA A 84 6.331 8.654 -4.242 1.00 0.00 C ATOM 1331 C ALA A 84 5.502 8.410 -5.523 1.00 0.00 C ATOM 1332 O ALA A 84 4.803 9.309 -5.987 1.00 0.00 O ATOM 1333 CB ALA A 84 7.720 9.210 -4.563 1.00 0.00 C ATOM 0 H ALA A 84 7.465 7.247 -3.188 1.00 0.00 H new ATOM 0 HA ALA A 84 5.752 9.386 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.621 10.100 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.231 9.469 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.299 8.457 -5.098 1.00 0.00 H new ATOM 1339 N GLN A 85 5.532 7.191 -6.072 1.00 0.00 N ATOM 1340 CA GLN A 85 4.751 6.777 -7.246 1.00 0.00 C ATOM 1341 C GLN A 85 3.283 6.484 -6.888 1.00 0.00 C ATOM 1342 O GLN A 85 2.383 6.811 -7.664 1.00 0.00 O ATOM 1343 CB GLN A 85 5.413 5.552 -7.914 1.00 0.00 C ATOM 1344 CG GLN A 85 6.935 5.751 -8.031 1.00 0.00 C ATOM 1345 CD GLN A 85 7.629 4.827 -9.027 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.119 4.500 -10.091 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.833 4.384 -8.731 1.00 0.00 N ATOM 0 H GLN A 85 6.117 6.442 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 85 4.744 7.606 -7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.202 4.656 -7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.985 5.396 -8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.131 6.784 -8.319 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.383 5.604 -7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.271 4.648 -7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.328 3.777 -9.384 1.00 0.00 H new ATOM 1356 N LEU A 86 3.042 5.941 -5.686 1.00 0.00 N ATOM 1357 CA LEU A 86 1.701 5.780 -5.097 1.00 0.00 C ATOM 1358 C LEU A 86 1.041 7.154 -4.928 1.00 0.00 C ATOM 1359 O LEU A 86 0.069 7.455 -5.623 1.00 0.00 O ATOM 1360 CB LEU A 86 1.810 5.040 -3.737 1.00 0.00 C ATOM 1361 CG LEU A 86 0.541 4.467 -3.073 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.456 5.544 -2.651 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.165 3.433 -3.945 1.00 0.00 C ATOM 0 H LEU A 86 3.787 5.594 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 86 1.078 5.181 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.508 4.214 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.265 5.730 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 86 0.905 3.972 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.326 5.075 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.016 6.216 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.771 6.112 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.051 3.064 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.461 3.893 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.511 2.602 -4.144 1.00 0.00 H new ATOM 1375 N LYS A 87 1.609 8.026 -4.079 1.00 0.00 N ATOM 1376 CA LYS A 87 1.014 9.332 -3.735 1.00 0.00 C ATOM 1377 C LYS A 87 0.835 10.262 -4.938 1.00 0.00 C ATOM 1378 O LYS A 87 -0.066 11.086 -4.941 1.00 0.00 O ATOM 1379 CB LYS A 87 1.777 10.055 -2.615 1.00 0.00 C ATOM 1380 CG LYS A 87 3.292 10.136 -2.828 1.00 0.00 C ATOM 1381 CD LYS A 87 3.985 11.264 -2.062 1.00 0.00 C ATOM 1382 CE LYS A 87 3.859 12.625 -2.766 1.00 0.00 C ATOM 1383 NZ LYS A 87 2.902 13.526 -2.079 1.00 0.00 N ATOM 0 H LYS A 87 2.496 7.846 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 87 0.018 9.086 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.382 11.066 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.582 9.545 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.738 9.187 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.489 10.263 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.556 11.336 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.040 11.019 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.838 13.102 -2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.535 12.471 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.888 14.448 -2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.950 13.107 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.196 13.655 -1.090 1.00 0.00 H new ATOM 1397 N ALA A 88 1.669 10.142 -5.964 1.00 0.00 N ATOM 1398 CA ALA A 88 1.581 10.970 -7.170 1.00 0.00 C ATOM 1399 C ALA A 88 0.331 10.656 -8.009 1.00 0.00 C ATOM 1400 O ALA A 88 -0.363 11.568 -8.461 1.00 0.00 O ATOM 1401 CB ALA A 88 2.846 10.763 -8.004 1.00 0.00 C ATOM 0 H ALA A 88 2.431 9.465 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 88 1.495 12.012 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.792 11.374 -8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.719 11.054 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.930 9.713 -8.283 1.00 0.00 H new ATOM 1407 N LYS A 89 0.026 9.365 -8.199 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.191 8.901 -8.881 1.00 0.00 C ATOM 1409 C LYS A 89 -2.429 9.040 -7.983 1.00 0.00 C ATOM 1410 O LYS A 89 -3.503 9.400 -8.464 1.00 0.00 O ATOM 1411 CB LYS A 89 -0.967 7.438 -9.320 1.00 0.00 C ATOM 1412 CG LYS A 89 -1.999 6.902 -10.330 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.647 7.095 -11.818 1.00 0.00 C ATOM 1414 CE LYS A 89 -1.530 8.550 -12.300 1.00 0.00 C ATOM 1415 NZ LYS A 89 -0.133 9.065 -12.253 1.00 0.00 N ATOM 0 H LYS A 89 0.625 8.604 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.382 9.521 -9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.027 7.353 -9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.981 6.802 -8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.140 5.837 -10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.955 7.389 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.701 6.591 -12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.407 6.594 -12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.904 8.620 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.167 9.184 -11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.114 10.049 -12.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.219 9.026 -11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.473 8.480 -12.862 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.273 8.769 -6.685 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.371 8.704 -5.712 1.00 0.00 C ATOM 1431 C TYR A 90 -3.732 10.067 -5.089 1.00 0.00 C ATOM 1432 O TYR A 90 -4.846 10.227 -4.591 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.016 7.678 -4.619 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.237 6.207 -4.971 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.187 5.719 -6.297 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.457 5.299 -3.919 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.350 4.346 -6.563 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.587 3.920 -4.179 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.555 3.439 -5.504 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.726 2.114 -5.765 1.00 0.00 O ATOM 0 H TYR A 90 -1.360 8.584 -6.270 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.263 8.389 -6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.968 7.812 -4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.603 7.909 -3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.022 6.406 -7.114 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.527 5.662 -2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.318 3.987 -7.581 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.712 3.228 -3.359 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.250 1.704 -5.045 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.831 11.052 -5.135 1.00 0.00 N ATOM 1451 CA ASP A 91 -3.009 12.391 -4.556 1.00 0.00 C ATOM 1452 C ASP A 91 -2.220 13.462 -5.352 1.00 0.00 C ATOM 1453 O ASP A 91 -1.197 13.976 -4.882 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.617 12.381 -3.067 1.00 0.00 C ATOM 1455 CG ASP A 91 -3.040 13.685 -2.353 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.683 14.564 -2.979 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.689 13.862 -1.163 1.00 0.00 O ATOM 0 H ASP A 91 -1.926 10.938 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.063 12.661 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.084 11.529 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.539 12.250 -2.976 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.655 13.802 -6.582 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.909 14.667 -7.508 1.00 0.00 C ATOM 1464 C PRO A 92 -1.728 16.128 -7.043 1.00 0.00 C ATOM 1465 O PRO A 92 -0.975 16.878 -7.669 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.669 14.581 -8.838 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.099 14.269 -8.405 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.892 13.351 -7.204 1.00 0.00 C ATOM 0 HA PRO A 92 -0.880 14.316 -7.582 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.612 15.516 -9.395 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.265 13.801 -9.483 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.647 15.172 -8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.664 13.778 -9.197 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.729 13.419 -6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.819 12.309 -7.514 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.369 16.537 -5.943 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.222 17.856 -5.305 1.00 0.00 C ATOM 1478 C ASP A 93 -1.578 17.784 -3.901 1.00 0.00 C ATOM 1479 O ASP A 93 -1.314 18.821 -3.285 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.597 18.542 -5.252 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.085 18.969 -6.646 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.571 19.981 -7.182 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.002 18.317 -7.203 1.00 0.00 O ATOM 0 H ASP A 93 -3.031 15.937 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.535 18.446 -5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.324 17.862 -4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.540 19.417 -4.605 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.291 16.578 -3.392 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.730 16.346 -2.053 1.00 0.00 C ATOM 1490 C GLY A 94 -1.647 16.770 -0.891 1.00 0.00 C ATOM 1491 O GLY A 94 -1.155 17.053 0.204 1.00 0.00 O ATOM 0 H GLY A 94 -1.446 15.715 -3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.500 15.286 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.213 16.886 -1.970 1.00 0.00 H new ATOM 1495 N THR A 95 -2.958 16.864 -1.123 1.00 0.00 N ATOM 1496 CA THR A 95 -3.958 17.415 -0.190 1.00 0.00 C ATOM 1497 C THR A 95 -4.088 16.621 1.118 1.00 0.00 C ATOM 1498 O THR A 95 -4.405 17.212 2.154 1.00 0.00 O ATOM 1499 CB THR A 95 -5.330 17.514 -0.884 1.00 0.00 C ATOM 1500 OG1 THR A 95 -5.199 18.217 -2.105 1.00 0.00 O ATOM 1501 CG2 THR A 95 -6.378 18.277 -0.068 1.00 0.00 C ATOM 0 H THR A 95 -3.374 16.547 -1.999 1.00 0.00 H new ATOM 0 HA THR A 95 -3.602 18.407 0.088 1.00 0.00 H new ATOM 0 HB THR A 95 -5.661 16.484 -1.017 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.073 18.276 -2.544 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.318 18.306 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.533 17.774 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.030 19.295 0.110 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.807 15.312 1.112 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.926 14.441 2.294 1.00 0.00 C ATOM 1511 C TYR A 96 -2.737 13.489 2.497 1.00 0.00 C ATOM 1512 O TYR A 96 -2.440 13.161 3.645 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.263 13.681 2.290 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.744 13.278 0.915 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.131 12.208 0.240 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.742 14.041 0.280 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.509 11.911 -1.079 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -7.121 13.743 -1.041 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.505 12.673 -1.727 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.866 12.381 -3.006 1.00 0.00 O ATOM 0 H TYR A 96 -3.487 14.820 0.278 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.907 15.109 3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.161 12.786 2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.024 14.304 2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.373 11.618 0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.217 14.855 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.034 11.094 -1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.883 14.332 -1.531 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.224 11.749 -3.391 1.00 0.00 H new ATOM 1530 N SER A 97 -1.986 13.118 1.453 1.00 0.00 N ATOM 1531 CA SER A 97 -0.756 12.319 1.600 1.00 0.00 C ATOM 1532 C SER A 97 0.286 12.991 2.505 1.00 0.00 C ATOM 1533 O SER A 97 1.004 12.318 3.250 1.00 0.00 O ATOM 1534 CB SER A 97 -0.123 12.017 0.238 1.00 0.00 C ATOM 1535 OG SER A 97 -0.911 11.101 -0.501 1.00 0.00 O ATOM 0 H SER A 97 -2.209 13.359 0.487 1.00 0.00 H new ATOM 0 HA SER A 97 -1.063 11.387 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.010 12.942 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.877 11.608 0.381 1.00 0.00 H new ATOM 0 HG SER A 97 -0.485 10.927 -1.366 1.00 0.00 H new ATOM 1541 N LYS A 98 0.347 14.332 2.491 1.00 0.00 N ATOM 1542 CA LYS A 98 1.308 15.121 3.279 1.00 0.00 C ATOM 1543 C LYS A 98 1.175 14.928 4.796 1.00 0.00 C ATOM 1544 O LYS A 98 2.174 15.037 5.503 1.00 0.00 O ATOM 1545 CB LYS A 98 1.215 16.610 2.882 1.00 0.00 C ATOM 1546 CG LYS A 98 2.567 17.341 2.960 1.00 0.00 C ATOM 1547 CD LYS A 98 3.498 16.932 1.805 1.00 0.00 C ATOM 1548 CE LYS A 98 4.846 17.653 1.882 1.00 0.00 C ATOM 1549 NZ LYS A 98 5.731 17.235 0.764 1.00 0.00 N ATOM 0 H LYS A 98 -0.278 14.906 1.925 1.00 0.00 H new ATOM 0 HA LYS A 98 2.302 14.745 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.826 16.686 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.500 17.110 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.401 18.418 2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.048 17.118 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.660 15.854 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.018 17.159 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.690 18.731 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.327 17.433 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.646 17.723 0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.882 16.207 0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.285 17.482 -0.143 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.025 14.585 5.290 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.355 14.381 6.717 1.00 0.00 C ATOM 1565 C LYS A 99 0.549 13.365 7.436 1.00 0.00 C ATOM 1566 O LYS A 99 0.740 13.480 8.646 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.832 13.947 6.840 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.883 14.959 6.338 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.412 15.914 7.419 1.00 0.00 C ATOM 1570 CE LYS A 99 -2.358 16.847 8.030 1.00 0.00 C ATOM 1571 NZ LYS A 99 -1.922 17.909 7.083 1.00 0.00 N ATOM 0 H LYS A 99 -0.830 14.435 4.682 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.182 15.336 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.963 13.016 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.039 13.729 7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.446 15.549 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.723 14.411 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.208 16.522 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.859 15.323 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.765 17.310 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.492 16.260 8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.210 18.513 7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.509 17.470 6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.742 18.487 6.809 1.00 0.00 H new ATOM 1585 N TYR A 100 1.117 12.404 6.705 1.00 0.00 N ATOM 1586 CA TYR A 100 1.983 11.337 7.229 1.00 0.00 C ATOM 1587 C TYR A 100 3.274 11.144 6.412 1.00 0.00 C ATOM 1588 O TYR A 100 4.259 10.657 6.964 1.00 0.00 O ATOM 1589 CB TYR A 100 1.178 10.036 7.363 1.00 0.00 C ATOM 1590 CG TYR A 100 0.285 9.775 6.174 1.00 0.00 C ATOM 1591 CD1 TYR A 100 0.782 9.086 5.056 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -1.011 10.322 6.153 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -0.013 8.964 3.908 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -1.801 10.213 4.997 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.311 9.522 3.870 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.116 9.341 2.788 1.00 0.00 O ATOM 0 H TYR A 100 0.984 12.342 5.696 1.00 0.00 H new ATOM 0 HA TYR A 100 2.323 11.643 8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.866 9.199 7.485 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.569 10.082 8.266 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.771 8.653 5.080 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.398 10.826 7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.370 8.439 3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.784 10.659 4.971 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.972 9.794 2.937 1.00 0.00 H new ATOM 1606 N GLU A 101 3.334 11.597 5.154 1.00 0.00 N ATOM 1607 CA GLU A 101 4.601 11.774 4.419 1.00 0.00 C ATOM 1608 C GLU A 101 5.580 12.689 5.184 1.00 0.00 C ATOM 1609 O GLU A 101 6.765 12.375 5.322 1.00 0.00 O ATOM 1610 CB GLU A 101 4.282 12.368 3.039 1.00 0.00 C ATOM 1611 CG GLU A 101 5.483 12.516 2.093 1.00 0.00 C ATOM 1612 CD GLU A 101 5.187 13.566 1.007 1.00 0.00 C ATOM 1613 OE1 GLU A 101 4.100 13.517 0.387 1.00 0.00 O ATOM 1614 OE2 GLU A 101 6.023 14.476 0.796 1.00 0.00 O ATOM 0 H GLU A 101 2.508 11.852 4.613 1.00 0.00 H new ATOM 0 HA GLU A 101 5.088 10.805 4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.535 11.739 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.829 13.349 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.366 12.810 2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.708 11.556 1.628 1.00 0.00 H new ATOM 1621 N ASP A 102 5.070 13.796 5.738 1.00 0.00 N ATOM 1622 CA ASP A 102 5.830 14.771 6.532 1.00 0.00 C ATOM 1623 C ASP A 102 6.499 14.169 7.784 1.00 0.00 C ATOM 1624 O ASP A 102 7.483 14.728 8.277 1.00 0.00 O ATOM 1625 CB ASP A 102 4.905 15.938 6.902 1.00 0.00 C ATOM 1626 CG ASP A 102 5.646 17.088 7.607 1.00 0.00 C ATOM 1627 OD1 ASP A 102 6.451 17.785 6.945 1.00 0.00 O ATOM 1628 OD2 ASP A 102 5.393 17.324 8.814 1.00 0.00 O ATOM 0 H ASP A 102 4.086 14.046 5.643 1.00 0.00 H new ATOM 0 HA ASP A 102 6.656 15.124 5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.429 16.319 5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.109 15.573 7.551 1.00 0.00 H new ATOM 1633 N ARG A 103 6.005 13.026 8.296 1.00 0.00 N ATOM 1634 CA ARG A 103 6.610 12.323 9.440 1.00 0.00 C ATOM 1635 C ARG A 103 8.057 11.897 9.184 1.00 0.00 C ATOM 1636 O ARG A 103 8.828 11.807 10.142 1.00 0.00 O ATOM 1637 CB ARG A 103 5.757 11.101 9.843 1.00 0.00 C ATOM 1638 CG ARG A 103 6.109 10.511 11.220 1.00 0.00 C ATOM 1639 CD ARG A 103 6.023 11.495 12.399 1.00 0.00 C ATOM 1640 NE ARG A 103 6.615 10.926 13.624 1.00 0.00 N ATOM 1641 CZ ARG A 103 7.905 10.832 13.910 1.00 0.00 C ATOM 1642 NH1 ARG A 103 8.846 11.168 13.068 1.00 0.00 N ATOM 1643 NH2 ARG A 103 8.283 10.389 15.075 1.00 0.00 N ATOM 0 H ARG A 103 5.174 12.564 7.927 1.00 0.00 H new ATOM 0 HA ARG A 103 6.631 13.037 10.263 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.706 11.390 9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.875 10.325 9.087 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.442 9.672 11.419 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.121 10.109 11.177 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.539 12.420 12.140 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.980 11.753 12.584 1.00 0.00 H new ATOM 0 HE ARG A 103 5.964 10.568 14.323 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.600 11.521 12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.826 11.077 13.336 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.586 10.114 15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.276 10.317 15.295 1.00 0.00 H new ATOM 1657 N GLU A 104 8.420 11.674 7.918 1.00 0.00 N ATOM 1658 CA GLU A 104 9.755 11.225 7.501 1.00 0.00 C ATOM 1659 C GLU A 104 10.431 12.187 6.511 1.00 0.00 C ATOM 1660 O GLU A 104 11.629 12.452 6.642 1.00 0.00 O ATOM 1661 CB GLU A 104 9.694 9.826 6.857 1.00 0.00 C ATOM 1662 CG GLU A 104 8.777 8.799 7.532 1.00 0.00 C ATOM 1663 CD GLU A 104 9.024 8.598 9.040 1.00 0.00 C ATOM 1664 OE1 GLU A 104 10.176 8.748 9.516 1.00 0.00 O ATOM 1665 OE2 GLU A 104 8.041 8.255 9.741 1.00 0.00 O ATOM 0 H GLU A 104 7.780 11.803 7.134 1.00 0.00 H new ATOM 0 HA GLU A 104 10.351 11.197 8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.373 9.941 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.704 9.417 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.742 9.108 7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.898 7.840 7.028 1.00 0.00 H new ATOM 1672 N LYS A 105 9.670 12.731 5.544 1.00 0.00 N ATOM 1673 CA LYS A 105 10.130 13.649 4.478 1.00 0.00 C ATOM 1674 C LYS A 105 11.452 13.202 3.811 1.00 0.00 C ATOM 1675 O LYS A 105 12.399 13.971 3.654 1.00 0.00 O ATOM 1676 CB LYS A 105 10.118 15.101 5.016 1.00 0.00 C ATOM 1677 CG LYS A 105 9.740 16.184 3.986 1.00 0.00 C ATOM 1678 CD LYS A 105 10.734 16.360 2.823 1.00 0.00 C ATOM 1679 CE LYS A 105 10.382 17.531 1.895 1.00 0.00 C ATOM 1680 NZ LYS A 105 10.609 18.855 2.535 1.00 0.00 N ATOM 0 H LYS A 105 8.671 12.536 5.479 1.00 0.00 H new ATOM 0 HA LYS A 105 9.428 13.612 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 105 9.418 15.156 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.106 15.331 5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.761 15.943 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 105 9.641 17.137 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.734 16.515 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.766 15.440 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.981 17.463 0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.337 17.451 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.389 19.611 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 9.994 18.948 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.604 18.933 2.829 1.00 0.00 H new ATOM 1694 N GLU A 106 11.517 11.928 3.414 1.00 0.00 N ATOM 1695 CA GLU A 106 12.670 11.340 2.700 1.00 0.00 C ATOM 1696 C GLU A 106 12.885 11.928 1.287 1.00 0.00 C ATOM 1697 O GLU A 106 13.995 11.873 0.747 1.00 0.00 O ATOM 1698 CB GLU A 106 12.479 9.817 2.596 1.00 0.00 C ATOM 1699 CG GLU A 106 12.593 9.079 3.939 1.00 0.00 C ATOM 1700 CD GLU A 106 14.043 9.067 4.464 1.00 0.00 C ATOM 1701 OE1 GLU A 106 14.840 8.195 4.036 1.00 0.00 O ATOM 1702 OE2 GLU A 106 14.401 9.923 5.308 1.00 0.00 O ATOM 0 H GLU A 106 10.763 11.261 3.579 1.00 0.00 H new ATOM 0 HA GLU A 106 13.559 11.586 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.500 9.613 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.222 9.414 1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.945 9.557 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.240 8.054 3.822 1.00 0.00 H new ATOM 1709 N LEU A 107 11.832 12.505 0.690 1.00 0.00 N ATOM 1710 CA LEU A 107 11.833 13.149 -0.630 1.00 0.00 C ATOM 1711 C LEU A 107 12.540 14.521 -0.598 1.00 0.00 C ATOM 1712 O LEU A 107 11.920 15.587 -0.654 1.00 0.00 O ATOM 1713 CB LEU A 107 10.398 13.208 -1.204 1.00 0.00 C ATOM 1714 CG LEU A 107 9.825 11.899 -1.792 1.00 0.00 C ATOM 1715 CD1 LEU A 107 10.699 11.343 -2.921 1.00 0.00 C ATOM 1716 CD2 LEU A 107 9.604 10.793 -0.758 1.00 0.00 C ATOM 0 H LEU A 107 10.915 12.536 1.135 1.00 0.00 H new ATOM 0 HA LEU A 107 12.421 12.539 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.730 13.545 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 107 10.376 13.968 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 107 8.850 12.191 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 107 10.257 10.423 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 107 10.764 12.076 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 107 11.698 11.134 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 107 9.200 9.909 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 107 10.553 10.543 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.901 11.138 -0.000 1.00 0.00 H new ATOM 1728 N HIS A 108 13.868 14.464 -0.483 1.00 0.00 N ATOM 1729 CA HIS A 108 14.825 15.565 -0.665 1.00 0.00 C ATOM 1730 C HIS A 108 14.720 16.241 -2.051 1.00 0.00 C ATOM 1731 O HIS A 108 14.145 15.683 -2.992 1.00 0.00 O ATOM 1732 CB HIS A 108 16.242 15.010 -0.409 1.00 0.00 C ATOM 1733 CG HIS A 108 16.631 13.870 -1.326 1.00 0.00 C ATOM 1734 ND1 HIS A 108 16.466 12.516 -1.070 1.00 0.00 N ATOM 1735 CD2 HIS A 108 17.189 13.992 -2.571 1.00 0.00 C ATOM 1736 CE1 HIS A 108 16.916 11.832 -2.143 1.00 0.00 C ATOM 1737 NE2 HIS A 108 17.361 12.711 -3.067 1.00 0.00 N ATOM 0 H HIS A 108 14.338 13.591 -0.244 1.00 0.00 H new ATOM 0 HA HIS A 108 14.591 16.355 0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 108 16.964 15.818 -0.524 1.00 0.00 H new ATOM 0 HB3 HIS A 108 16.307 14.670 0.625 1.00 0.00 H new ATOM 0 HD1 HIS A 108 16.074 12.109 -0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 108 17.446 14.914 -3.071 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.920 10.757 -2.246 1.00 0.00 H new ATOM 1746 N GLN A 109 15.329 17.426 -2.183 1.00 0.00 N ATOM 1747 CA GLN A 109 15.368 18.253 -3.404 1.00 0.00 C ATOM 1748 C GLN A 109 16.750 18.914 -3.559 1.00 0.00 C ATOM 1749 O GLN A 109 17.462 18.568 -4.527 1.00 0.00 O ATOM 1750 CB GLN A 109 14.203 19.264 -3.351 1.00 0.00 C ATOM 1751 CG GLN A 109 13.897 19.972 -4.685 1.00 0.00 C ATOM 1752 CD GLN A 109 14.896 21.067 -5.083 1.00 0.00 C ATOM 1753 OE1 GLN A 109 15.598 20.980 -6.083 1.00 0.00 O ATOM 1754 NE2 GLN A 109 14.979 22.160 -4.348 1.00 0.00 N ATOM 1755 OXT GLN A 109 17.133 19.725 -2.686 1.00 0.00 O ATOM 0 H GLN A 109 15.832 17.858 -1.408 1.00 0.00 H new ATOM 0 HA GLN A 109 15.232 17.640 -4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 109 13.305 18.744 -3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 109 14.431 20.020 -2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.866 19.224 -5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 109 12.902 20.413 -4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.405 22.256 -3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.617 22.908 -4.617 1.00 0.00 H new TER 1764 GLN A 109