USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 801 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 26 CYS SG : rot 180:sc= -3.89! USER MOD Set 1.2: A 28 HIS : no HD1:sc= -1.72 X(o=-7.2,f=-7.5) USER MOD Set 1.3: A 53 TYR OH : rot 39:sc= -1.6 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0152 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.0351 USER MOD Single : A 3 SER OG : rot 34:sc= 0.705 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 131:sc= -0.155 (180deg=-1.04) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= -0.308 (180deg=-3.24!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.928 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.346 K(o=-0.35,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc=-0.00579 (180deg=-0.132) USER MOD Single : A 49 TYR OH : rot -21:sc= -0.515 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.758 K(o=0.76,f=-3.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.94) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 130:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 76 ASN : amide:sc= -2.05 K(o=-2.1,f=-1.3) USER MOD Single : A 78 GLN : amide:sc= -0.52 K(o=-0.52,f=-0.0077) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.1) USER MOD Single : A 84 GLN : amide:sc= -1.61! X(o=-1.6!,f=-1.6) USER MOD Single : A 85 LYS NZ :NH3+ 149:sc= -0.228 (180deg=-1.31!) USER MOD Single : A 87 ASN : amide:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 90 GLN : amide:sc= -0.438 K(o=-0.44,f=-1.6) USER MOD Single : A 91 TYR OH : rot 153:sc= 0.241 USER MOD Single : A 95 LYS NZ :NH3+ -149:sc= -0.254 (180deg=-1.44!) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.258 21.427 -12.502 1.00 0.00 N ATOM 2 CA GLY A 1 -14.503 20.616 -11.564 1.00 0.00 C ATOM 3 C GLY A 1 -13.011 20.869 -11.649 1.00 0.00 C ATOM 4 O GLY A 1 -12.577 22.001 -11.860 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.121 21.779 -12.040 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.677 22.232 -12.811 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.518 20.851 -13.328 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.846 20.824 -10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.701 19.562 -11.758 1.00 0.00 H new ATOM 8 N SER A 2 -12.223 19.811 -11.484 1.00 0.00 N ATOM 9 CA SER A 2 -10.770 19.924 -11.538 1.00 0.00 C ATOM 10 C SER A 2 -10.151 18.674 -12.155 1.00 0.00 C ATOM 11 O SER A 2 -10.549 17.552 -11.843 1.00 0.00 O ATOM 12 CB SER A 2 -10.202 20.149 -10.136 1.00 0.00 C ATOM 13 OG SER A 2 -10.176 21.529 -9.811 1.00 0.00 O ATOM 0 H SER A 2 -12.566 18.866 -11.312 1.00 0.00 H new ATOM 0 HA SER A 2 -10.520 20.780 -12.165 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.806 19.611 -9.405 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.193 19.740 -10.079 1.00 0.00 H new ATOM 0 HG SER A 2 -10.864 22.000 -10.327 1.00 0.00 H new ATOM 19 N SER A 3 -9.174 18.877 -13.033 1.00 0.00 N ATOM 20 CA SER A 3 -8.501 17.768 -13.698 1.00 0.00 C ATOM 21 C SER A 3 -7.064 17.630 -13.205 1.00 0.00 C ATOM 22 O SER A 3 -6.202 18.446 -13.532 1.00 0.00 O ATOM 23 CB SER A 3 -8.514 17.970 -15.215 1.00 0.00 C ATOM 24 OG SER A 3 -7.873 19.182 -15.573 1.00 0.00 O ATOM 0 H SER A 3 -8.831 19.800 -13.300 1.00 0.00 H new ATOM 0 HA SER A 3 -9.040 16.852 -13.456 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.013 17.133 -15.701 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.543 17.979 -15.575 1.00 0.00 H new ATOM 0 HG SER A 3 -7.135 19.358 -14.952 1.00 0.00 H new ATOM 30 N GLY A 4 -6.812 16.590 -12.416 1.00 0.00 N ATOM 31 CA GLY A 4 -5.479 16.363 -11.889 1.00 0.00 C ATOM 32 C GLY A 4 -5.500 15.739 -10.508 1.00 0.00 C ATOM 33 O GLY A 4 -6.460 15.908 -9.757 1.00 0.00 O ATOM 0 H GLY A 4 -7.508 15.900 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.928 15.713 -12.569 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.942 17.310 -11.848 1.00 0.00 H new ATOM 37 N SER A 5 -4.437 15.014 -10.172 1.00 0.00 N ATOM 38 CA SER A 5 -4.339 14.358 -8.874 1.00 0.00 C ATOM 39 C SER A 5 -3.808 15.321 -7.817 1.00 0.00 C ATOM 40 O SER A 5 -3.462 14.914 -6.708 1.00 0.00 O ATOM 41 CB SER A 5 -3.429 13.131 -8.966 1.00 0.00 C ATOM 42 OG SER A 5 -2.289 13.401 -9.762 1.00 0.00 O ATOM 0 H SER A 5 -3.632 14.867 -10.781 1.00 0.00 H new ATOM 0 HA SER A 5 -5.339 14.039 -8.580 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.116 12.831 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.983 12.294 -9.391 1.00 0.00 H new ATOM 0 HG SER A 5 -1.723 12.602 -9.804 1.00 0.00 H new ATOM 48 N SER A 6 -3.746 16.601 -8.169 1.00 0.00 N ATOM 49 CA SER A 6 -3.253 17.623 -7.253 1.00 0.00 C ATOM 50 C SER A 6 -4.329 18.669 -6.977 1.00 0.00 C ATOM 51 O SER A 6 -4.802 18.806 -5.849 1.00 0.00 O ATOM 52 CB SER A 6 -2.007 18.298 -7.831 1.00 0.00 C ATOM 53 OG SER A 6 -2.247 18.774 -9.144 1.00 0.00 O ATOM 0 H SER A 6 -4.031 16.955 -9.082 1.00 0.00 H new ATOM 0 HA SER A 6 -2.992 17.138 -6.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.708 19.127 -7.189 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.179 17.590 -7.843 1.00 0.00 H new ATOM 0 HG SER A 6 -1.436 19.202 -9.490 1.00 0.00 H new ATOM 59 N GLY A 7 -4.711 19.406 -8.016 1.00 0.00 N ATOM 60 CA GLY A 7 -5.728 20.430 -7.865 1.00 0.00 C ATOM 61 C GLY A 7 -5.607 21.178 -6.552 1.00 0.00 C ATOM 62 O GLY A 7 -6.498 21.110 -5.707 1.00 0.00 O ATOM 0 H GLY A 7 -4.334 19.312 -8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.652 21.137 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.714 19.970 -7.928 1.00 0.00 H new ATOM 66 N MET A 8 -4.500 21.893 -6.380 1.00 0.00 N ATOM 67 CA MET A 8 -4.266 22.657 -5.160 1.00 0.00 C ATOM 68 C MET A 8 -3.082 23.603 -5.330 1.00 0.00 C ATOM 69 O MET A 8 -2.152 23.321 -6.085 1.00 0.00 O ATOM 70 CB MET A 8 -4.014 21.713 -3.982 1.00 0.00 C ATOM 71 CG MET A 8 -3.740 22.435 -2.673 1.00 0.00 C ATOM 72 SD MET A 8 -3.943 21.366 -1.235 1.00 0.00 S ATOM 73 CE MET A 8 -4.386 22.565 0.019 1.00 0.00 C ATOM 0 H MET A 8 -3.751 21.959 -7.070 1.00 0.00 H new ATOM 0 HA MET A 8 -5.157 23.251 -4.956 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.881 21.064 -3.855 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.166 21.070 -4.217 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.724 22.831 -2.686 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.413 23.288 -2.585 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.545 22.056 0.969 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.582 23.293 0.127 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.302 23.078 -0.275 1.00 0.00 H new ATOM 83 N ALA A 9 -3.122 24.728 -4.623 1.00 0.00 N ATOM 84 CA ALA A 9 -2.052 25.715 -4.694 1.00 0.00 C ATOM 85 C ALA A 9 -0.767 25.177 -4.074 1.00 0.00 C ATOM 86 O ALA A 9 -0.786 24.446 -3.083 1.00 0.00 O ATOM 87 CB ALA A 9 -2.475 27.003 -4.004 1.00 0.00 C ATOM 0 H ALA A 9 -3.885 24.978 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.856 25.927 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.666 27.731 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.362 27.404 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.701 26.798 -2.958 1.00 0.00 H new ATOM 93 N PRO A 10 0.377 25.545 -4.668 1.00 0.00 N ATOM 94 CA PRO A 10 1.693 25.111 -4.190 1.00 0.00 C ATOM 95 C PRO A 10 2.066 25.750 -2.857 1.00 0.00 C ATOM 96 O PRO A 10 2.511 26.897 -2.809 1.00 0.00 O ATOM 97 CB PRO A 10 2.645 25.581 -5.293 1.00 0.00 C ATOM 98 CG PRO A 10 1.943 26.729 -5.934 1.00 0.00 C ATOM 99 CD PRO A 10 0.475 26.415 -5.853 1.00 0.00 C ATOM 0 HA PRO A 10 1.726 24.037 -4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.608 25.885 -4.882 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.842 24.786 -6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.171 27.662 -5.419 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.259 26.851 -6.970 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.124 27.319 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.122 25.910 -6.752 1.00 0.00 H new ATOM 107 N LYS A 11 1.881 25.002 -1.775 1.00 0.00 N ATOM 108 CA LYS A 11 2.199 25.494 -0.440 1.00 0.00 C ATOM 109 C LYS A 11 3.246 24.610 0.231 1.00 0.00 C ATOM 110 O LYS A 11 3.634 23.575 -0.309 1.00 0.00 O ATOM 111 CB LYS A 11 0.935 25.548 0.421 1.00 0.00 C ATOM 112 CG LYS A 11 0.001 26.690 0.059 1.00 0.00 C ATOM 113 CD LYS A 11 0.372 27.968 0.793 1.00 0.00 C ATOM 114 CE LYS A 11 -0.840 28.864 0.999 1.00 0.00 C ATOM 115 NZ LYS A 11 -1.917 28.172 1.760 1.00 0.00 N ATOM 0 H LYS A 11 1.512 24.051 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 11 2.607 26.500 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.398 24.605 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.222 25.643 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.037 26.864 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.025 26.414 0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.811 27.720 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.132 28.507 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.539 29.765 1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.226 29.182 0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.244 28.785 2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.713 27.964 1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.547 27.283 2.154 1.00 0.00 H new ATOM 129 N GLN A 12 3.697 25.026 1.410 1.00 0.00 N ATOM 130 CA GLN A 12 4.698 24.270 2.154 1.00 0.00 C ATOM 131 C GLN A 12 4.201 22.861 2.459 1.00 0.00 C ATOM 132 O GLN A 12 3.034 22.663 2.798 1.00 0.00 O ATOM 133 CB GLN A 12 5.049 24.993 3.456 1.00 0.00 C ATOM 134 CG GLN A 12 3.890 25.078 4.436 1.00 0.00 C ATOM 135 CD GLN A 12 4.231 25.882 5.675 1.00 0.00 C ATOM 136 OE1 GLN A 12 4.203 27.113 5.658 1.00 0.00 O ATOM 137 NE2 GLN A 12 4.557 25.189 6.760 1.00 0.00 N ATOM 0 H GLN A 12 3.386 25.881 1.870 1.00 0.00 H new ATOM 0 HA GLN A 12 5.593 24.194 1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.882 24.478 3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.390 26.001 3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.032 25.530 3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.594 24.071 4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.567 24.169 6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.797 25.676 7.623 1.00 0.00 H new ATOM 146 N ASP A 13 5.094 21.885 2.335 1.00 0.00 N ATOM 147 CA ASP A 13 4.746 20.493 2.597 1.00 0.00 C ATOM 148 C ASP A 13 5.993 19.614 2.606 1.00 0.00 C ATOM 149 O ASP A 13 6.973 19.877 1.908 1.00 0.00 O ATOM 150 CB ASP A 13 3.756 19.986 1.548 1.00 0.00 C ATOM 151 CG ASP A 13 4.378 19.878 0.169 1.00 0.00 C ATOM 152 OD1 ASP A 13 5.071 18.873 -0.092 1.00 0.00 O ATOM 153 OD2 ASP A 13 4.173 20.800 -0.648 1.00 0.00 O ATOM 0 H ASP A 13 6.064 22.032 2.055 1.00 0.00 H new ATOM 0 HA ASP A 13 4.279 20.440 3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.379 19.009 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.900 20.659 1.505 1.00 0.00 H new ATOM 158 N PRO A 14 5.958 18.545 3.414 1.00 0.00 N ATOM 159 CA PRO A 14 7.077 17.605 3.534 1.00 0.00 C ATOM 160 C PRO A 14 7.268 16.768 2.273 1.00 0.00 C ATOM 161 O PRO A 14 6.377 16.688 1.427 1.00 0.00 O ATOM 162 CB PRO A 14 6.668 16.715 4.710 1.00 0.00 C ATOM 163 CG PRO A 14 5.181 16.786 4.740 1.00 0.00 C ATOM 164 CD PRO A 14 4.822 18.170 4.274 1.00 0.00 C ATOM 0 HA PRO A 14 8.027 18.118 3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.013 15.690 4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.100 17.071 5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.741 16.029 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.802 16.602 5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.881 18.177 3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.707 18.859 5.111 1.00 0.00 H new ATOM 172 N LYS A 15 8.435 16.145 2.154 1.00 0.00 N ATOM 173 CA LYS A 15 8.744 15.312 0.998 1.00 0.00 C ATOM 174 C LYS A 15 8.583 13.833 1.334 1.00 0.00 C ATOM 175 O LYS A 15 8.953 13.374 2.415 1.00 0.00 O ATOM 176 CB LYS A 15 10.171 15.583 0.514 1.00 0.00 C ATOM 177 CG LYS A 15 10.687 14.547 -0.469 1.00 0.00 C ATOM 178 CD LYS A 15 12.191 14.366 -0.350 1.00 0.00 C ATOM 179 CE LYS A 15 12.939 15.262 -1.324 1.00 0.00 C ATOM 180 NZ LYS A 15 12.967 14.688 -2.697 1.00 0.00 N ATOM 0 H LYS A 15 9.183 16.201 2.845 1.00 0.00 H new ATOM 0 HA LYS A 15 8.043 15.565 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.206 16.566 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.838 15.618 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.190 13.594 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.435 14.851 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.506 14.591 0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.449 13.324 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.466 16.244 -1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.960 15.409 -0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.486 15.329 -3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.441 13.762 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.994 14.571 -3.044 1.00 0.00 H new ATOM 194 N PRO A 16 8.018 13.068 0.388 1.00 0.00 N ATOM 195 CA PRO A 16 7.797 11.630 0.560 1.00 0.00 C ATOM 196 C PRO A 16 9.101 10.839 0.561 1.00 0.00 C ATOM 197 O PRO A 16 10.150 11.350 0.167 1.00 0.00 O ATOM 198 CB PRO A 16 6.944 11.254 -0.653 1.00 0.00 C ATOM 199 CG PRO A 16 7.274 12.280 -1.681 1.00 0.00 C ATOM 200 CD PRO A 16 7.554 13.549 -0.924 1.00 0.00 C ATOM 0 HA PRO A 16 7.326 11.402 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.179 10.250 -1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.882 11.266 -0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.140 11.978 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.446 12.415 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.312 14.155 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.661 14.168 -0.832 1.00 0.00 H new ATOM 208 N LYS A 17 9.029 9.588 1.005 1.00 0.00 N ATOM 209 CA LYS A 17 10.203 8.725 1.055 1.00 0.00 C ATOM 210 C LYS A 17 10.192 7.725 -0.097 1.00 0.00 C ATOM 211 O LYS A 17 11.200 7.539 -0.780 1.00 0.00 O ATOM 212 CB LYS A 17 10.257 7.980 2.391 1.00 0.00 C ATOM 213 CG LYS A 17 10.454 8.893 3.589 1.00 0.00 C ATOM 214 CD LYS A 17 10.509 8.106 4.887 1.00 0.00 C ATOM 215 CE LYS A 17 11.324 8.833 5.946 1.00 0.00 C ATOM 216 NZ LYS A 17 12.780 8.554 5.814 1.00 0.00 N ATOM 0 H LYS A 17 8.169 9.150 1.335 1.00 0.00 H new ATOM 0 HA LYS A 17 11.089 9.352 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.332 7.418 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.070 7.254 2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.377 9.460 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.639 9.615 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.497 7.940 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.946 7.125 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.151 9.906 5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.985 8.530 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.300 9.068 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.949 7.533 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.110 8.866 4.878 1.00 0.00 H new ATOM 230 N PHE A 18 9.047 7.084 -0.307 1.00 0.00 N ATOM 231 CA PHE A 18 8.906 6.103 -1.377 1.00 0.00 C ATOM 232 C PHE A 18 8.649 6.790 -2.715 1.00 0.00 C ATOM 233 O PHE A 18 8.127 7.904 -2.761 1.00 0.00 O ATOM 234 CB PHE A 18 7.764 5.134 -1.061 1.00 0.00 C ATOM 235 CG PHE A 18 7.841 4.547 0.320 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.401 5.268 1.418 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.353 3.275 0.519 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.471 4.730 2.690 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.425 2.732 1.788 1.00 0.00 C ATOM 240 CZ PHE A 18 7.983 3.460 2.874 1.00 0.00 C ATOM 0 H PHE A 18 8.204 7.226 0.249 1.00 0.00 H new ATOM 0 HA PHE A 18 9.839 5.544 -1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.814 5.656 -1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.771 4.325 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.999 6.261 1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.700 2.701 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.126 5.302 3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.827 1.739 1.930 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.037 3.037 3.866 1.00 0.00 H new ATOM 250 N GLN A 19 9.020 6.118 -3.799 1.00 0.00 N ATOM 251 CA GLN A 19 8.831 6.664 -5.138 1.00 0.00 C ATOM 252 C GLN A 19 7.802 5.852 -5.917 1.00 0.00 C ATOM 253 O GLN A 19 7.572 4.679 -5.623 1.00 0.00 O ATOM 254 CB GLN A 19 10.160 6.686 -5.895 1.00 0.00 C ATOM 255 CG GLN A 19 11.010 7.911 -5.597 1.00 0.00 C ATOM 256 CD GLN A 19 12.419 7.791 -6.144 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.697 6.946 -6.995 1.00 0.00 O ATOM 258 NE2 GLN A 19 13.318 8.638 -5.656 1.00 0.00 N ATOM 0 H GLN A 19 9.453 5.195 -3.777 1.00 0.00 H new ATOM 0 HA GLN A 19 8.461 7.684 -5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.727 5.790 -5.642 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.959 6.645 -6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.532 8.793 -6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.055 8.064 -4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.044 9.323 -4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.283 8.604 -5.986 1.00 0.00 H new ATOM 267 N GLU A 20 7.186 6.484 -6.911 1.00 0.00 N ATOM 268 CA GLU A 20 6.180 5.819 -7.731 1.00 0.00 C ATOM 269 C GLU A 20 6.809 4.713 -8.574 1.00 0.00 C ATOM 270 O GLU A 20 7.856 4.907 -9.191 1.00 0.00 O ATOM 271 CB GLU A 20 5.480 6.832 -8.640 1.00 0.00 C ATOM 272 CG GLU A 20 4.624 7.836 -7.886 1.00 0.00 C ATOM 273 CD GLU A 20 4.483 9.153 -8.625 1.00 0.00 C ATOM 274 OE1 GLU A 20 4.280 9.124 -9.856 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.577 10.212 -7.970 1.00 0.00 O ATOM 0 H GLU A 20 7.366 7.455 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 20 5.444 5.370 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.232 7.370 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.854 6.296 -9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.635 7.410 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.064 8.019 -6.906 1.00 0.00 H new ATOM 282 N GLY A 21 6.163 3.552 -8.593 1.00 0.00 N ATOM 283 CA GLY A 21 6.674 2.431 -9.361 1.00 0.00 C ATOM 284 C GLY A 21 7.428 1.435 -8.503 1.00 0.00 C ATOM 285 O GLY A 21 7.647 0.296 -8.912 1.00 0.00 O ATOM 0 H GLY A 21 5.295 3.367 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.845 1.925 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.334 2.803 -10.145 1.00 0.00 H new ATOM 289 N GLU A 22 7.827 1.867 -7.311 1.00 0.00 N ATOM 290 CA GLU A 22 8.564 1.004 -6.394 1.00 0.00 C ATOM 291 C GLU A 22 7.609 0.159 -5.556 1.00 0.00 C ATOM 292 O GLU A 22 6.720 0.686 -4.887 1.00 0.00 O ATOM 293 CB GLU A 22 9.458 1.842 -5.478 1.00 0.00 C ATOM 294 CG GLU A 22 10.094 1.044 -4.353 1.00 0.00 C ATOM 295 CD GLU A 22 11.386 1.663 -3.856 1.00 0.00 C ATOM 296 OE1 GLU A 22 12.041 2.381 -4.641 1.00 0.00 O ATOM 297 OE2 GLU A 22 11.743 1.429 -2.682 1.00 0.00 O ATOM 0 H GLU A 22 7.653 2.808 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 22 9.188 0.336 -6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.245 2.303 -6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.867 2.651 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.390 0.967 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.291 0.029 -4.699 1.00 0.00 H new ATOM 304 N ARG A 23 7.799 -1.156 -5.600 1.00 0.00 N ATOM 305 CA ARG A 23 6.954 -2.075 -4.846 1.00 0.00 C ATOM 306 C ARG A 23 6.979 -1.741 -3.358 1.00 0.00 C ATOM 307 O ARG A 23 8.017 -1.367 -2.812 1.00 0.00 O ATOM 308 CB ARG A 23 7.413 -3.518 -5.064 1.00 0.00 C ATOM 309 CG ARG A 23 6.295 -4.539 -4.933 1.00 0.00 C ATOM 310 CD ARG A 23 6.781 -5.942 -5.264 1.00 0.00 C ATOM 311 NE ARG A 23 6.646 -6.247 -6.686 1.00 0.00 N ATOM 312 CZ ARG A 23 7.584 -5.978 -7.587 1.00 0.00 C ATOM 313 NH1 ARG A 23 8.719 -5.401 -7.216 1.00 0.00 N ATOM 314 NH2 ARG A 23 7.387 -6.285 -8.863 1.00 0.00 N ATOM 0 H ARG A 23 8.530 -1.609 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 23 5.931 -1.968 -5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.857 -3.603 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.196 -3.754 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.900 -4.520 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.475 -4.270 -5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.826 -6.043 -4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.214 -6.669 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 23 5.785 -6.691 -7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.873 -5.163 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.437 -5.196 -7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.515 -6.728 -9.152 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.108 -6.078 -9.554 1.00 0.00 H new ATOM 328 N VAL A 24 5.828 -1.878 -2.706 1.00 0.00 N ATOM 329 CA VAL A 24 5.718 -1.591 -1.281 1.00 0.00 C ATOM 330 C VAL A 24 4.596 -2.402 -0.643 1.00 0.00 C ATOM 331 O VAL A 24 3.762 -2.983 -1.338 1.00 0.00 O ATOM 332 CB VAL A 24 5.462 -0.093 -1.028 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.697 0.725 -1.371 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.258 0.383 -1.826 1.00 0.00 C ATOM 0 H VAL A 24 4.959 -2.186 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 24 6.669 -1.871 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 24 5.246 0.048 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.497 1.780 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.533 0.400 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.948 0.582 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.091 1.443 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.443 0.230 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.376 -0.183 -1.526 1.00 0.00 H new ATOM 344 N LEU A 25 4.581 -2.438 0.685 1.00 0.00 N ATOM 345 CA LEU A 25 3.561 -3.178 1.419 1.00 0.00 C ATOM 346 C LEU A 25 2.585 -2.226 2.105 1.00 0.00 C ATOM 347 O LEU A 25 2.989 -1.362 2.884 1.00 0.00 O ATOM 348 CB LEU A 25 4.213 -4.092 2.458 1.00 0.00 C ATOM 349 CG LEU A 25 5.138 -5.179 1.908 1.00 0.00 C ATOM 350 CD1 LEU A 25 6.014 -5.744 3.016 1.00 0.00 C ATOM 351 CD2 LEU A 25 4.327 -6.285 1.250 1.00 0.00 C ATOM 0 H LEU A 25 5.264 -1.963 1.275 1.00 0.00 H new ATOM 0 HA LEU A 25 3.006 -3.787 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.784 -3.473 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.424 -4.573 3.036 1.00 0.00 H new ATOM 0 HG LEU A 25 5.785 -4.732 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.666 -6.516 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.621 -4.946 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.384 -6.176 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.001 -7.050 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.655 -6.730 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.743 -5.869 0.429 1.00 0.00 H new ATOM 363 N CYS A 26 1.300 -2.391 1.810 1.00 0.00 N ATOM 364 CA CYS A 26 0.266 -1.548 2.399 1.00 0.00 C ATOM 365 C CYS A 26 -0.403 -2.250 3.576 1.00 0.00 C ATOM 366 O CYS A 26 -0.481 -3.478 3.617 1.00 0.00 O ATOM 367 CB CYS A 26 -0.781 -1.179 1.347 1.00 0.00 C ATOM 368 SG CYS A 26 -2.353 -0.613 2.037 1.00 0.00 S ATOM 0 H CYS A 26 0.950 -3.101 1.167 1.00 0.00 H new ATOM 0 HA CYS A 26 0.739 -0.637 2.765 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.376 -0.397 0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.966 -2.047 0.714 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.172 -0.323 1.070 1.00 0.00 H new ATOM 374 N PHE A 27 -0.884 -1.462 4.532 1.00 0.00 N ATOM 375 CA PHE A 27 -1.545 -2.008 5.712 1.00 0.00 C ATOM 376 C PHE A 27 -3.045 -1.735 5.671 1.00 0.00 C ATOM 377 O PHE A 27 -3.492 -0.620 5.942 1.00 0.00 O ATOM 378 CB PHE A 27 -0.941 -1.409 6.984 1.00 0.00 C ATOM 379 CG PHE A 27 0.271 -2.147 7.478 1.00 0.00 C ATOM 380 CD1 PHE A 27 0.174 -3.467 7.891 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.506 -1.522 7.530 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.286 -4.149 8.345 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.622 -2.200 7.983 1.00 0.00 C ATOM 384 CZ PHE A 27 2.512 -3.514 8.392 1.00 0.00 C ATOM 0 H PHE A 27 -0.829 -0.444 4.513 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.390 -3.087 5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.671 -0.370 6.794 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.698 -1.404 7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.782 -3.968 7.857 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.598 -0.494 7.213 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.197 -5.177 8.663 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.580 -1.702 8.017 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.383 -4.045 8.748 1.00 0.00 H new ATOM 394 N HIS A 28 -3.818 -2.761 5.328 1.00 0.00 N ATOM 395 CA HIS A 28 -5.269 -2.632 5.251 1.00 0.00 C ATOM 396 C HIS A 28 -5.948 -3.487 6.316 1.00 0.00 C ATOM 397 O HIS A 28 -7.077 -3.941 6.136 1.00 0.00 O ATOM 398 CB HIS A 28 -5.765 -3.038 3.862 1.00 0.00 C ATOM 399 CG HIS A 28 -7.050 -2.377 3.468 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.952 -2.947 2.595 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.583 -1.189 3.835 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.984 -2.137 2.440 1.00 0.00 C ATOM 403 NE2 HIS A 28 -8.785 -1.063 3.183 1.00 0.00 N ATOM 0 H HIS A 28 -3.464 -3.690 5.099 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.526 -1.588 5.430 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.999 -2.793 3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.899 -4.119 3.835 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.145 -0.473 4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.844 -2.321 1.813 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.421 -0.269 3.260 1.00 0.00 H new ATOM 412 N GLY A 29 -5.251 -3.703 7.428 1.00 0.00 N ATOM 413 CA GLY A 29 -5.802 -4.504 8.505 1.00 0.00 C ATOM 414 C GLY A 29 -4.742 -5.313 9.227 1.00 0.00 C ATOM 415 O GLY A 29 -3.553 -4.998 9.182 1.00 0.00 O ATOM 0 H GLY A 29 -4.315 -3.337 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.305 -3.851 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.558 -5.178 8.102 1.00 0.00 H new ATOM 419 N PRO A 30 -5.173 -6.382 9.913 1.00 0.00 N ATOM 420 CA PRO A 30 -4.269 -7.259 10.662 1.00 0.00 C ATOM 421 C PRO A 30 -3.373 -8.086 9.746 1.00 0.00 C ATOM 422 O PRO A 30 -2.590 -8.916 10.211 1.00 0.00 O ATOM 423 CB PRO A 30 -5.222 -8.169 11.442 1.00 0.00 C ATOM 424 CG PRO A 30 -6.477 -8.178 10.640 1.00 0.00 C ATOM 425 CD PRO A 30 -6.577 -6.816 10.011 1.00 0.00 C ATOM 0 HA PRO A 30 -3.585 -6.694 11.295 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.812 -9.174 11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.398 -7.789 12.448 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.448 -8.958 9.879 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.342 -8.381 11.271 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.053 -6.860 9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.167 -6.133 10.622 1.00 0.00 H new ATOM 433 N LEU A 31 -3.493 -7.855 8.444 1.00 0.00 N ATOM 434 CA LEU A 31 -2.693 -8.578 7.462 1.00 0.00 C ATOM 435 C LEU A 31 -2.143 -7.630 6.401 1.00 0.00 C ATOM 436 O LEU A 31 -2.752 -6.604 6.095 1.00 0.00 O ATOM 437 CB LEU A 31 -3.531 -9.672 6.798 1.00 0.00 C ATOM 438 CG LEU A 31 -4.161 -10.699 7.740 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.465 -11.225 7.160 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.194 -11.843 8.006 1.00 0.00 C ATOM 0 H LEU A 31 -4.137 -7.173 8.043 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.853 -9.037 7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.328 -9.195 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.900 -10.202 6.084 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.380 -10.208 8.688 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.899 -11.955 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.161 -10.398 7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.270 -11.700 6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.659 -12.564 8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.943 -12.333 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.286 -11.452 8.465 1.00 0.00 H new ATOM 452 N LEU A 32 -0.990 -7.980 5.843 1.00 0.00 N ATOM 453 CA LEU A 32 -0.358 -7.160 4.814 1.00 0.00 C ATOM 454 C LEU A 32 -0.661 -7.705 3.422 1.00 0.00 C ATOM 455 O LEU A 32 -0.854 -8.908 3.243 1.00 0.00 O ATOM 456 CB LEU A 32 1.155 -7.106 5.035 1.00 0.00 C ATOM 457 CG LEU A 32 1.662 -5.975 5.930 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.071 -6.273 6.419 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.623 -4.648 5.186 1.00 0.00 C ATOM 0 H LEU A 32 -0.473 -8.825 6.085 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.766 -6.152 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.473 -8.055 5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.641 -7.019 4.063 1.00 0.00 H new ATOM 0 HG LEU A 32 1.006 -5.902 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.416 -5.457 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.069 -7.202 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.739 -6.374 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.987 -3.854 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.255 -4.709 4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.598 -4.429 4.886 1.00 0.00 H new ATOM 471 N TYR A 33 -0.699 -6.813 2.439 1.00 0.00 N ATOM 472 CA TYR A 33 -0.979 -7.204 1.062 1.00 0.00 C ATOM 473 C TYR A 33 0.011 -6.555 0.100 1.00 0.00 C ATOM 474 O TYR A 33 0.426 -5.413 0.296 1.00 0.00 O ATOM 475 CB TYR A 33 -2.408 -6.816 0.680 1.00 0.00 C ATOM 476 CG TYR A 33 -3.450 -7.302 1.661 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.773 -6.557 2.788 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.113 -8.507 1.461 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.724 -6.998 3.688 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.066 -8.955 2.355 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.368 -8.197 3.467 1.00 0.00 C ATOM 482 OH TYR A 33 -6.317 -8.639 4.360 1.00 0.00 O ATOM 0 H TYR A 33 -0.539 -5.814 2.570 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.872 -8.286 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.472 -5.731 0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.634 -7.220 -0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.272 -5.617 2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.879 -9.103 0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.962 -6.407 4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.572 -9.894 2.184 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.676 -9.499 4.057 1.00 0.00 H new ATOM 492 N GLU A 34 0.384 -7.292 -0.942 1.00 0.00 N ATOM 493 CA GLU A 34 1.325 -6.788 -1.935 1.00 0.00 C ATOM 494 C GLU A 34 0.710 -5.644 -2.736 1.00 0.00 C ATOM 495 O GLU A 34 -0.436 -5.725 -3.175 1.00 0.00 O ATOM 496 CB GLU A 34 1.755 -7.913 -2.880 1.00 0.00 C ATOM 497 CG GLU A 34 2.820 -7.495 -3.879 1.00 0.00 C ATOM 498 CD GLU A 34 3.224 -8.624 -4.808 1.00 0.00 C ATOM 499 OE1 GLU A 34 2.996 -9.798 -4.447 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.769 -8.334 -5.893 1.00 0.00 O ATOM 0 H GLU A 34 0.049 -8.239 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 34 2.201 -6.410 -1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.131 -8.748 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.881 -8.274 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.449 -6.658 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.699 -7.140 -3.340 1.00 0.00 H new ATOM 507 N ALA A 35 1.482 -4.578 -2.922 1.00 0.00 N ATOM 508 CA ALA A 35 1.015 -3.418 -3.670 1.00 0.00 C ATOM 509 C ALA A 35 2.186 -2.616 -4.228 1.00 0.00 C ATOM 510 O ALA A 35 3.347 -2.988 -4.052 1.00 0.00 O ATOM 511 CB ALA A 35 0.143 -2.536 -2.788 1.00 0.00 C ATOM 0 H ALA A 35 2.434 -4.494 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 35 0.419 -3.775 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.198 -1.673 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.719 -3.106 -2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.721 -2.196 -1.929 1.00 0.00 H new ATOM 517 N LYS A 36 1.875 -1.515 -4.903 1.00 0.00 N ATOM 518 CA LYS A 36 2.902 -0.659 -5.487 1.00 0.00 C ATOM 519 C LYS A 36 2.463 0.802 -5.476 1.00 0.00 C ATOM 520 O LYS A 36 1.274 1.103 -5.587 1.00 0.00 O ATOM 521 CB LYS A 36 3.207 -1.101 -6.920 1.00 0.00 C ATOM 522 CG LYS A 36 4.226 -0.220 -7.623 1.00 0.00 C ATOM 523 CD LYS A 36 3.556 0.928 -8.359 1.00 0.00 C ATOM 524 CE LYS A 36 3.112 0.514 -9.754 1.00 0.00 C ATOM 525 NZ LYS A 36 2.579 1.666 -10.532 1.00 0.00 N ATOM 0 H LYS A 36 0.920 -1.194 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 36 3.805 -0.753 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.575 -2.127 -6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.282 -1.103 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.931 0.177 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.802 -0.819 -8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.693 1.273 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.247 1.768 -8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.955 0.074 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.346 -0.258 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.700 1.384 -11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.383 2.459 -9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.281 1.961 -11.241 1.00 0.00 H new ATOM 539 N CYS A 37 3.430 1.703 -5.344 1.00 0.00 N ATOM 540 CA CYS A 37 3.143 3.133 -5.320 1.00 0.00 C ATOM 541 C CYS A 37 2.752 3.633 -6.707 1.00 0.00 C ATOM 542 O CYS A 37 3.592 3.737 -7.601 1.00 0.00 O ATOM 543 CB CYS A 37 4.357 3.910 -4.809 1.00 0.00 C ATOM 544 SG CYS A 37 4.065 5.681 -4.596 1.00 0.00 S ATOM 0 H CYS A 37 4.419 1.469 -5.252 1.00 0.00 H new ATOM 0 HA CYS A 37 2.304 3.298 -4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.670 3.487 -3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.184 3.770 -5.506 1.00 0.00 H new ATOM 0 HG CYS A 37 5.149 6.250 -4.159 1.00 0.00 H new ATOM 550 N VAL A 38 1.470 3.940 -6.880 1.00 0.00 N ATOM 551 CA VAL A 38 0.967 4.428 -8.158 1.00 0.00 C ATOM 552 C VAL A 38 0.857 5.949 -8.161 1.00 0.00 C ATOM 553 O VAL A 38 0.807 6.577 -9.219 1.00 0.00 O ATOM 554 CB VAL A 38 -0.412 3.825 -8.486 1.00 0.00 C ATOM 555 CG1 VAL A 38 -0.256 2.551 -9.303 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.193 3.557 -7.209 1.00 0.00 C ATOM 0 H VAL A 38 0.761 3.859 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 38 1.682 4.116 -8.919 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.972 4.545 -9.083 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.240 2.139 -9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.262 2.778 -10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.322 1.823 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.165 3.131 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.640 2.856 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.335 4.492 -6.667 1.00 0.00 H new ATOM 566 N LYS A 39 0.821 6.536 -6.970 1.00 0.00 N ATOM 567 CA LYS A 39 0.720 7.984 -6.833 1.00 0.00 C ATOM 568 C LYS A 39 1.152 8.431 -5.440 1.00 0.00 C ATOM 569 O LYS A 39 1.072 7.665 -4.479 1.00 0.00 O ATOM 570 CB LYS A 39 -0.715 8.444 -7.105 1.00 0.00 C ATOM 571 CG LYS A 39 -1.215 8.085 -8.494 1.00 0.00 C ATOM 572 CD LYS A 39 -2.599 8.654 -8.752 1.00 0.00 C ATOM 573 CE LYS A 39 -3.391 7.781 -9.713 1.00 0.00 C ATOM 574 NZ LYS A 39 -4.837 8.138 -9.725 1.00 0.00 N ATOM 0 H LYS A 39 0.860 6.031 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 39 1.387 8.440 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.377 7.998 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.772 9.525 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.519 8.465 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.240 7.001 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.139 8.741 -7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.509 9.660 -9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.983 7.885 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.278 6.734 -9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.342 7.520 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.233 8.014 -8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.947 9.129 -10.020 1.00 0.00 H new ATOM 588 N VAL A 40 1.608 9.675 -5.337 1.00 0.00 N ATOM 589 CA VAL A 40 2.050 10.224 -4.061 1.00 0.00 C ATOM 590 C VAL A 40 1.463 11.612 -3.827 1.00 0.00 C ATOM 591 O VAL A 40 1.764 12.555 -4.556 1.00 0.00 O ATOM 592 CB VAL A 40 3.586 10.310 -3.989 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.023 11.012 -2.712 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.202 8.922 -4.080 1.00 0.00 C ATOM 0 H VAL A 40 1.681 10.322 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 40 1.694 9.546 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 40 3.939 10.897 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.111 11.063 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.612 12.021 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.660 10.455 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.288 9.002 -4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.843 8.310 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.917 8.459 -5.025 1.00 0.00 H new ATOM 604 N ALA A 41 0.623 11.728 -2.803 1.00 0.00 N ATOM 605 CA ALA A 41 -0.005 13.000 -2.471 1.00 0.00 C ATOM 606 C ALA A 41 0.312 13.411 -1.037 1.00 0.00 C ATOM 607 O ALA A 41 0.695 12.579 -0.213 1.00 0.00 O ATOM 608 CB ALA A 41 -1.510 12.916 -2.678 1.00 0.00 C ATOM 0 H ALA A 41 0.362 10.956 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 41 0.400 13.762 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.966 13.873 -2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.721 12.677 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.923 12.138 -2.036 1.00 0.00 H new ATOM 614 N ILE A 42 0.150 14.697 -0.745 1.00 0.00 N ATOM 615 CA ILE A 42 0.419 15.216 0.591 1.00 0.00 C ATOM 616 C ILE A 42 -0.689 16.159 1.047 1.00 0.00 C ATOM 617 O ILE A 42 -0.975 17.162 0.392 1.00 0.00 O ATOM 618 CB ILE A 42 1.766 15.961 0.644 1.00 0.00 C ATOM 619 CG1 ILE A 42 2.902 15.037 0.202 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.023 16.490 2.047 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.113 15.776 -0.323 1.00 0.00 C ATOM 0 H ILE A 42 -0.166 15.398 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 42 0.461 14.357 1.261 1.00 0.00 H new ATOM 0 HB ILE A 42 1.724 16.808 -0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.203 14.416 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.532 14.365 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.978 17.014 2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.225 17.178 2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.049 15.658 2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.878 15.058 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.827 16.376 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.508 16.427 0.457 1.00 0.00 H new ATOM 633 N LYS A 43 -1.309 15.833 2.176 1.00 0.00 N ATOM 634 CA LYS A 43 -2.384 16.651 2.723 1.00 0.00 C ATOM 635 C LYS A 43 -2.490 16.471 4.234 1.00 0.00 C ATOM 636 O LYS A 43 -1.922 15.536 4.798 1.00 0.00 O ATOM 637 CB LYS A 43 -3.716 16.290 2.061 1.00 0.00 C ATOM 638 CG LYS A 43 -4.000 17.079 0.795 1.00 0.00 C ATOM 639 CD LYS A 43 -5.341 16.698 0.190 1.00 0.00 C ATOM 640 CE LYS A 43 -5.204 15.536 -0.781 1.00 0.00 C ATOM 641 NZ LYS A 43 -6.530 15.014 -1.213 1.00 0.00 N ATOM 0 H LYS A 43 -1.085 15.007 2.730 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.153 17.696 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.718 15.226 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.524 16.459 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.991 18.145 1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.208 16.900 0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.037 16.429 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.765 17.558 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.638 15.858 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.634 14.735 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.393 14.223 -1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.060 14.683 -0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.064 15.771 -1.685 1.00 0.00 H new ATOM 655 N ASP A 44 -3.221 17.371 4.883 1.00 0.00 N ATOM 656 CA ASP A 44 -3.403 17.310 6.328 1.00 0.00 C ATOM 657 C ASP A 44 -2.058 17.207 7.041 1.00 0.00 C ATOM 658 O ASP A 44 -1.943 16.560 8.083 1.00 0.00 O ATOM 659 CB ASP A 44 -4.285 16.118 6.703 1.00 0.00 C ATOM 660 CG ASP A 44 -5.062 16.352 7.983 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.838 17.329 8.035 1.00 0.00 O ATOM 662 OD2 ASP A 44 -4.894 15.559 8.933 1.00 0.00 O ATOM 0 H ASP A 44 -3.697 18.151 4.431 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.894 18.230 6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.982 15.916 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.662 15.231 6.817 1.00 0.00 H new ATOM 667 N LYS A 45 -1.042 17.848 6.474 1.00 0.00 N ATOM 668 CA LYS A 45 0.295 17.830 7.054 1.00 0.00 C ATOM 669 C LYS A 45 0.840 16.406 7.121 1.00 0.00 C ATOM 670 O LYS A 45 1.681 16.094 7.962 1.00 0.00 O ATOM 671 CB LYS A 45 0.274 18.445 8.455 1.00 0.00 C ATOM 672 CG LYS A 45 -0.253 19.869 8.485 1.00 0.00 C ATOM 673 CD LYS A 45 -1.762 19.902 8.667 1.00 0.00 C ATOM 674 CE LYS A 45 -2.250 21.297 9.025 1.00 0.00 C ATOM 675 NZ LYS A 45 -2.060 22.257 7.903 1.00 0.00 N ATOM 0 H LYS A 45 -1.120 18.387 5.612 1.00 0.00 H new ATOM 0 HA LYS A 45 0.949 18.422 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.342 17.825 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.284 18.431 8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.224 20.417 9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.014 20.376 7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.248 19.570 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.050 19.202 9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.306 21.255 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.713 21.655 9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.405 23.196 8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.049 22.317 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.593 21.929 7.072 1.00 0.00 H new ATOM 689 N GLN A 46 0.355 15.549 6.228 1.00 0.00 N ATOM 690 CA GLN A 46 0.794 14.160 6.187 1.00 0.00 C ATOM 691 C GLN A 46 1.033 13.707 4.750 1.00 0.00 C ATOM 692 O GLN A 46 0.418 14.222 3.816 1.00 0.00 O ATOM 693 CB GLN A 46 -0.243 13.255 6.854 1.00 0.00 C ATOM 694 CG GLN A 46 -1.496 13.046 6.019 1.00 0.00 C ATOM 695 CD GLN A 46 -2.168 11.716 6.297 1.00 0.00 C ATOM 696 OE1 GLN A 46 -1.770 10.682 5.759 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.193 11.735 7.141 1.00 0.00 N ATOM 0 H GLN A 46 -0.342 15.793 5.524 1.00 0.00 H new ATOM 0 HA GLN A 46 1.734 14.086 6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.212 12.286 7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.525 13.686 7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.200 13.853 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.237 13.104 4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.489 12.615 7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.684 10.870 7.366 1.00 0.00 H new ATOM 706 N VAL A 47 1.929 12.740 4.581 1.00 0.00 N ATOM 707 CA VAL A 47 2.248 12.217 3.258 1.00 0.00 C ATOM 708 C VAL A 47 1.574 10.870 3.022 1.00 0.00 C ATOM 709 O VAL A 47 1.815 9.907 3.750 1.00 0.00 O ATOM 710 CB VAL A 47 3.769 12.058 3.069 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.089 11.634 1.644 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.488 13.351 3.424 1.00 0.00 C ATOM 0 H VAL A 47 2.447 12.303 5.344 1.00 0.00 H new ATOM 0 HA VAL A 47 1.873 12.939 2.533 1.00 0.00 H new ATOM 0 HB VAL A 47 4.121 11.277 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.168 11.527 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.605 10.681 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.724 12.390 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.561 13.221 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.133 14.154 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.285 13.606 4.464 1.00 0.00 H new ATOM 722 N LYS A 48 0.729 10.809 1.999 1.00 0.00 N ATOM 723 CA LYS A 48 0.020 9.580 1.664 1.00 0.00 C ATOM 724 C LYS A 48 0.597 8.945 0.404 1.00 0.00 C ATOM 725 O LYS A 48 1.496 9.501 -0.228 1.00 0.00 O ATOM 726 CB LYS A 48 -1.471 9.864 1.468 1.00 0.00 C ATOM 727 CG LYS A 48 -2.202 10.198 2.757 1.00 0.00 C ATOM 728 CD LYS A 48 -3.657 9.765 2.702 1.00 0.00 C ATOM 729 CE LYS A 48 -4.547 10.869 2.154 1.00 0.00 C ATOM 730 NZ LYS A 48 -4.727 11.975 3.135 1.00 0.00 N ATOM 0 H LYS A 48 0.518 11.597 1.387 1.00 0.00 H new ATOM 0 HA LYS A 48 0.145 8.881 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.585 10.693 0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.941 8.994 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.707 9.707 3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.148 11.271 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.750 8.877 2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.993 9.488 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.111 11.265 1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.520 10.454 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.535 12.564 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.906 11.576 4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.866 12.558 3.163 1.00 0.00 H new ATOM 744 N TYR A 49 0.075 7.778 0.042 1.00 0.00 N ATOM 745 CA TYR A 49 0.540 7.067 -1.143 1.00 0.00 C ATOM 746 C TYR A 49 -0.554 6.158 -1.697 1.00 0.00 C ATOM 747 O TYR A 49 -1.046 5.267 -1.005 1.00 0.00 O ATOM 748 CB TYR A 49 1.785 6.243 -0.814 1.00 0.00 C ATOM 749 CG TYR A 49 2.849 7.023 -0.075 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.713 7.313 1.277 1.00 0.00 C ATOM 751 CD2 TYR A 49 3.991 7.468 -0.728 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.682 8.026 1.956 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.967 8.180 -0.057 1.00 0.00 C ATOM 754 CZ TYR A 49 4.807 8.457 1.285 1.00 0.00 C ATOM 755 OH TYR A 49 5.776 9.166 1.958 1.00 0.00 O ATOM 0 H TYR A 49 -0.670 7.304 0.552 1.00 0.00 H new ATOM 0 HA TYR A 49 0.793 7.806 -1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.493 5.383 -0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.209 5.854 -1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.834 6.975 1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.119 7.254 -1.779 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.559 8.245 3.006 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.850 8.518 -0.580 1.00 0.00 H new ATOM 0 HH TYR A 49 5.389 9.562 2.767 1.00 0.00 H new ATOM 765 N PHE A 50 -0.928 6.391 -2.951 1.00 0.00 N ATOM 766 CA PHE A 50 -1.963 5.594 -3.599 1.00 0.00 C ATOM 767 C PHE A 50 -1.522 4.141 -3.742 1.00 0.00 C ATOM 768 O PHE A 50 -0.640 3.824 -4.541 1.00 0.00 O ATOM 769 CB PHE A 50 -2.296 6.175 -4.975 1.00 0.00 C ATOM 770 CG PHE A 50 -3.375 5.422 -5.699 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.422 4.842 -5.000 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.344 5.293 -7.078 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.416 4.147 -5.663 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.335 4.600 -7.747 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.373 4.027 -7.039 1.00 0.00 C ATOM 0 H PHE A 50 -0.530 7.124 -3.538 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.855 5.624 -2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.606 7.213 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.394 6.179 -5.587 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.462 4.934 -3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.535 5.740 -7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.225 3.698 -5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.298 4.507 -8.822 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.150 3.486 -7.560 1.00 0.00 H new ATOM 785 N ILE A 51 -2.141 3.262 -2.961 1.00 0.00 N ATOM 786 CA ILE A 51 -1.812 1.842 -3.000 1.00 0.00 C ATOM 787 C ILE A 51 -2.662 1.109 -4.033 1.00 0.00 C ATOM 788 O ILE A 51 -3.885 1.254 -4.062 1.00 0.00 O ATOM 789 CB ILE A 51 -2.013 1.180 -1.624 1.00 0.00 C ATOM 790 CG1 ILE A 51 -1.182 1.902 -0.561 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.639 -0.294 -1.686 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.289 1.993 -0.902 1.00 0.00 C ATOM 0 H ILE A 51 -2.873 3.508 -2.294 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.761 1.769 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.065 1.257 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.578 2.908 -0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.294 1.383 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.786 -0.748 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.269 -0.799 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.593 -0.392 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.816 2.517 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.700 0.989 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.413 2.539 -1.838 1.00 0.00 H new ATOM 804 N HIS A 52 -2.007 0.321 -4.879 1.00 0.00 N ATOM 805 CA HIS A 52 -2.702 -0.437 -5.913 1.00 0.00 C ATOM 806 C HIS A 52 -2.632 -1.935 -5.628 1.00 0.00 C ATOM 807 O HIS A 52 -1.673 -2.605 -6.012 1.00 0.00 O ATOM 808 CB HIS A 52 -2.101 -0.139 -7.286 1.00 0.00 C ATOM 809 CG HIS A 52 -2.674 -0.977 -8.386 1.00 0.00 C ATOM 810 ND1 HIS A 52 -3.989 -0.888 -8.793 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.104 -1.924 -9.168 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.202 -1.744 -9.776 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.074 -2.385 -10.023 1.00 0.00 N ATOM 0 H HIS A 52 -0.995 0.191 -4.869 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.749 -0.132 -5.910 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.260 0.913 -7.522 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.023 -0.297 -7.244 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.077 -2.255 -9.127 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.140 -1.894 -10.291 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.945 -3.105 -10.733 1.00 0.00 H new ATOM 822 N TYR A 53 -3.653 -2.452 -4.953 1.00 0.00 N ATOM 823 CA TYR A 53 -3.705 -3.869 -4.614 1.00 0.00 C ATOM 824 C TYR A 53 -3.525 -4.734 -5.859 1.00 0.00 C ATOM 825 O TYR A 53 -4.412 -4.809 -6.709 1.00 0.00 O ATOM 826 CB TYR A 53 -5.034 -4.204 -3.935 1.00 0.00 C ATOM 827 CG TYR A 53 -5.202 -3.552 -2.581 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.235 -3.696 -1.594 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.330 -2.795 -2.288 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.384 -3.103 -0.355 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.487 -2.197 -1.052 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.512 -2.354 -0.089 1.00 0.00 C ATOM 833 OH TYR A 53 -5.666 -1.762 1.143 1.00 0.00 O ATOM 0 H TYR A 53 -4.455 -1.911 -4.630 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.888 -4.082 -3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.853 -3.892 -4.583 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.112 -5.285 -3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.351 -4.282 -1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.097 -2.672 -3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.622 -3.225 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.369 -1.610 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.800 -1.423 1.454 1.00 0.00 H new ATOM 843 N SER A 54 -2.371 -5.385 -5.957 1.00 0.00 N ATOM 844 CA SER A 54 -2.072 -6.242 -7.098 1.00 0.00 C ATOM 845 C SER A 54 -3.183 -7.265 -7.315 1.00 0.00 C ATOM 846 O SER A 54 -3.203 -8.320 -6.683 1.00 0.00 O ATOM 847 CB SER A 54 -0.737 -6.959 -6.888 1.00 0.00 C ATOM 848 OG SER A 54 -0.374 -7.708 -8.035 1.00 0.00 O ATOM 0 H SER A 54 -1.628 -5.335 -5.260 1.00 0.00 H new ATOM 0 HA SER A 54 -2.003 -5.613 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.041 -6.228 -6.666 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.808 -7.621 -6.025 1.00 0.00 H new ATOM 0 HG SER A 54 0.483 -8.155 -7.876 1.00 0.00 H new ATOM 854 N GLY A 55 -4.107 -6.944 -8.215 1.00 0.00 N ATOM 855 CA GLY A 55 -5.209 -7.843 -8.501 1.00 0.00 C ATOM 856 C GLY A 55 -6.143 -7.298 -9.562 1.00 0.00 C ATOM 857 O GLY A 55 -5.910 -6.220 -10.109 1.00 0.00 O ATOM 0 H GLY A 55 -4.112 -6.077 -8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.813 -8.804 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.772 -8.025 -7.585 1.00 0.00 H new ATOM 861 N TRP A 56 -7.202 -8.044 -9.856 1.00 0.00 N ATOM 862 CA TRP A 56 -8.174 -7.629 -10.862 1.00 0.00 C ATOM 863 C TRP A 56 -8.870 -6.338 -10.446 1.00 0.00 C ATOM 864 O TRP A 56 -8.653 -5.285 -11.043 1.00 0.00 O ATOM 865 CB TRP A 56 -9.209 -8.732 -11.086 1.00 0.00 C ATOM 866 CG TRP A 56 -9.787 -8.732 -12.469 1.00 0.00 C ATOM 867 CD1 TRP A 56 -9.355 -9.463 -13.538 1.00 0.00 C ATOM 868 CD2 TRP A 56 -10.903 -7.963 -12.931 1.00 0.00 C ATOM 869 NE1 TRP A 56 -10.134 -9.194 -14.637 1.00 0.00 N ATOM 870 CE2 TRP A 56 -11.092 -8.278 -14.291 1.00 0.00 C ATOM 871 CE3 TRP A 56 -11.763 -7.041 -12.328 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -12.103 -7.702 -15.055 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -12.766 -6.470 -13.088 1.00 0.00 C ATOM 874 CH2 TRP A 56 -12.930 -6.802 -14.439 1.00 0.00 C ATOM 0 H TRP A 56 -7.410 -8.939 -9.413 1.00 0.00 H new ATOM 0 HA TRP A 56 -7.640 -7.447 -11.795 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.746 -9.700 -10.894 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -10.016 -8.616 -10.363 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.523 -10.152 -13.522 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -10.018 -9.609 -15.561 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -11.646 -6.779 -11.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.230 -7.956 -16.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.435 -5.755 -12.632 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -13.724 -6.339 -15.005 1.00 0.00 H new ATOM 885 N ASN A 57 -9.707 -6.427 -9.417 1.00 0.00 N ATOM 886 CA ASN A 57 -10.435 -5.265 -8.922 1.00 0.00 C ATOM 887 C ASN A 57 -9.476 -4.134 -8.561 1.00 0.00 C ATOM 888 O ASN A 57 -8.571 -4.310 -7.745 1.00 0.00 O ATOM 889 CB ASN A 57 -11.275 -5.645 -7.701 1.00 0.00 C ATOM 890 CG ASN A 57 -11.886 -7.027 -7.827 1.00 0.00 C ATOM 891 OD1 ASN A 57 -11.178 -8.034 -7.829 1.00 0.00 O ATOM 892 ND2 ASN A 57 -13.209 -7.081 -7.934 1.00 0.00 N ATOM 0 H ASN A 57 -9.898 -7.292 -8.910 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.096 -4.917 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.651 -5.607 -6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.069 -4.910 -7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.677 -7.983 -8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.757 -6.221 -7.928 1.00 0.00 H new ATOM 899 N LYS A 58 -9.680 -2.974 -9.175 1.00 0.00 N ATOM 900 CA LYS A 58 -8.836 -1.813 -8.919 1.00 0.00 C ATOM 901 C LYS A 58 -9.531 -0.831 -7.981 1.00 0.00 C ATOM 902 O LYS A 58 -8.906 0.092 -7.460 1.00 0.00 O ATOM 903 CB LYS A 58 -8.480 -1.115 -10.233 1.00 0.00 C ATOM 904 CG LYS A 58 -9.688 -0.795 -11.098 1.00 0.00 C ATOM 905 CD LYS A 58 -10.015 -1.937 -12.044 1.00 0.00 C ATOM 906 CE LYS A 58 -9.284 -1.790 -13.370 1.00 0.00 C ATOM 907 NZ LYS A 58 -9.604 -2.903 -14.306 1.00 0.00 N ATOM 0 H LYS A 58 -10.424 -2.813 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.920 -2.160 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.947 -0.190 -10.011 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.797 -1.749 -10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.549 -0.591 -10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.495 0.111 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.742 -2.885 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.090 -1.967 -12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.554 -0.840 -13.830 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.209 -1.764 -13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.086 -2.766 -15.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.323 -3.808 -13.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.626 -2.913 -14.497 1.00 0.00 H new ATOM 921 N ASN A 59 -10.827 -1.038 -7.770 1.00 0.00 N ATOM 922 CA ASN A 59 -11.606 -0.170 -6.894 1.00 0.00 C ATOM 923 C ASN A 59 -11.185 -0.348 -5.439 1.00 0.00 C ATOM 924 O ASN A 59 -11.109 0.620 -4.682 1.00 0.00 O ATOM 925 CB ASN A 59 -13.100 -0.468 -7.045 1.00 0.00 C ATOM 926 CG ASN A 59 -13.968 0.574 -6.367 1.00 0.00 C ATOM 927 OD1 ASN A 59 -13.464 1.491 -5.718 1.00 0.00 O ATOM 928 ND2 ASN A 59 -15.281 0.437 -6.514 1.00 0.00 N ATOM 0 H ASN A 59 -11.359 -1.798 -8.193 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.417 0.863 -7.185 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.353 -0.515 -8.104 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.317 -1.449 -6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.915 1.107 -6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -15.655 -0.339 -7.061 1.00 0.00 H new ATOM 935 N TRP A 60 -10.913 -1.590 -5.055 1.00 0.00 N ATOM 936 CA TRP A 60 -10.499 -1.894 -3.690 1.00 0.00 C ATOM 937 C TRP A 60 -9.341 -1.001 -3.260 1.00 0.00 C ATOM 938 O TRP A 60 -9.087 -0.828 -2.068 1.00 0.00 O ATOM 939 CB TRP A 60 -10.096 -3.365 -3.573 1.00 0.00 C ATOM 940 CG TRP A 60 -10.333 -3.940 -2.209 1.00 0.00 C ATOM 941 CD1 TRP A 60 -11.387 -3.677 -1.381 1.00 0.00 C ATOM 942 CD2 TRP A 60 -9.497 -4.872 -1.515 1.00 0.00 C ATOM 943 NE1 TRP A 60 -11.256 -4.390 -0.214 1.00 0.00 N ATOM 944 CE2 TRP A 60 -10.106 -5.132 -0.272 1.00 0.00 C ATOM 945 CE3 TRP A 60 -8.295 -5.514 -1.824 1.00 0.00 C ATOM 946 CZ2 TRP A 60 -9.551 -6.004 0.661 1.00 0.00 C ATOM 947 CZ3 TRP A 60 -7.746 -6.380 -0.897 1.00 0.00 C ATOM 948 CH2 TRP A 60 -8.374 -6.619 0.332 1.00 0.00 C ATOM 0 H TRP A 60 -10.972 -2.402 -5.669 1.00 0.00 H new ATOM 0 HA TRP A 60 -11.345 -1.703 -3.030 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.654 -3.947 -4.306 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -9.040 -3.466 -3.823 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.203 -3.007 -1.610 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.909 -4.370 0.569 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.804 -5.337 -2.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -10.032 -6.188 1.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -6.817 -6.881 -1.124 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -7.920 -7.303 1.034 1.00 0.00 H new ATOM 959 N ASP A 61 -8.641 -0.436 -4.238 1.00 0.00 N ATOM 960 CA ASP A 61 -7.509 0.441 -3.960 1.00 0.00 C ATOM 961 C ASP A 61 -7.853 1.440 -2.860 1.00 0.00 C ATOM 962 O ASP A 61 -9.007 1.549 -2.447 1.00 0.00 O ATOM 963 CB ASP A 61 -7.090 1.185 -5.229 1.00 0.00 C ATOM 964 CG ASP A 61 -8.122 2.203 -5.671 1.00 0.00 C ATOM 965 OD1 ASP A 61 -8.727 2.853 -4.793 1.00 0.00 O ATOM 966 OD2 ASP A 61 -8.325 2.350 -6.895 1.00 0.00 O ATOM 0 H ASP A 61 -8.837 -0.570 -5.230 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.678 -0.176 -3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.139 1.688 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.927 0.465 -6.031 1.00 0.00 H new ATOM 971 N GLU A 62 -6.844 2.166 -2.390 1.00 0.00 N ATOM 972 CA GLU A 62 -7.040 3.155 -1.337 1.00 0.00 C ATOM 973 C GLU A 62 -5.755 3.935 -1.076 1.00 0.00 C ATOM 974 O GLU A 62 -4.680 3.554 -1.541 1.00 0.00 O ATOM 975 CB GLU A 62 -7.507 2.474 -0.048 1.00 0.00 C ATOM 976 CG GLU A 62 -6.513 1.464 0.501 1.00 0.00 C ATOM 977 CD GLU A 62 -6.580 1.341 2.010 1.00 0.00 C ATOM 978 OE1 GLU A 62 -7.682 1.519 2.571 1.00 0.00 O ATOM 979 OE2 GLU A 62 -5.532 1.067 2.631 1.00 0.00 O ATOM 0 H GLU A 62 -5.883 2.088 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.807 3.854 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.693 3.236 0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.456 1.972 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.705 0.490 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.505 1.756 0.208 1.00 0.00 H new ATOM 986 N TRP A 63 -5.874 5.027 -0.330 1.00 0.00 N ATOM 987 CA TRP A 63 -4.722 5.862 -0.008 1.00 0.00 C ATOM 988 C TRP A 63 -4.221 5.576 1.404 1.00 0.00 C ATOM 989 O TRP A 63 -5.008 5.480 2.345 1.00 0.00 O ATOM 990 CB TRP A 63 -5.084 7.341 -0.143 1.00 0.00 C ATOM 991 CG TRP A 63 -5.192 7.798 -1.567 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.293 7.722 -2.371 1.00 0.00 C ATOM 993 CD2 TRP A 63 -4.159 8.401 -2.354 1.00 0.00 C ATOM 994 NE1 TRP A 63 -6.006 8.240 -3.611 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.704 8.664 -3.626 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.827 8.745 -2.107 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.962 9.254 -4.645 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -2.092 9.330 -3.121 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.661 9.581 -4.377 1.00 0.00 C ATOM 0 H TRP A 63 -6.756 5.355 0.063 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.925 5.625 -0.712 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.032 7.523 0.363 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.330 7.940 0.367 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.249 7.315 -2.076 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.657 8.299 -4.394 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.380 8.557 -1.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.398 9.447 -5.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.061 9.598 -2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -2.061 10.041 -5.148 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.906 5.440 1.544 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.299 5.166 2.841 1.00 0.00 C ATOM 1012 C VAL A 64 -1.167 6.143 3.136 1.00 0.00 C ATOM 1013 O VAL A 64 -0.504 6.654 2.233 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.753 3.728 2.913 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.808 2.732 2.455 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.487 3.597 2.081 1.00 0.00 C ATOM 0 H VAL A 64 -2.241 5.515 0.775 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.083 5.287 3.589 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.503 3.504 3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.404 1.721 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.685 2.809 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.092 2.951 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.115 2.574 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.708 3.840 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.271 4.283 2.461 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.938 6.411 4.430 1.00 0.00 N ATOM 1027 CA PRO A 65 0.115 7.328 4.875 1.00 0.00 C ATOM 1028 C PRO A 65 1.512 6.762 4.644 1.00 0.00 C ATOM 1029 O PRO A 65 1.680 5.768 3.939 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.158 7.483 6.373 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.873 6.234 6.758 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.690 5.838 5.559 1.00 0.00 C ATOM 0 HA PRO A 65 0.095 8.269 4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.769 7.598 6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.765 8.365 6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.168 5.448 7.027 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.510 6.401 7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.780 4.755 5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.702 6.239 5.612 1.00 0.00 H new ATOM 1040 N GLU A 66 2.512 7.402 5.242 1.00 0.00 N ATOM 1041 CA GLU A 66 3.894 6.961 5.100 1.00 0.00 C ATOM 1042 C GLU A 66 4.230 5.885 6.128 1.00 0.00 C ATOM 1043 O GLU A 66 5.241 5.192 6.010 1.00 0.00 O ATOM 1044 CB GLU A 66 4.850 8.147 5.256 1.00 0.00 C ATOM 1045 CG GLU A 66 6.282 7.829 4.863 1.00 0.00 C ATOM 1046 CD GLU A 66 7.265 8.880 5.342 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.755 8.758 6.484 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.545 9.824 4.574 1.00 0.00 O ATOM 0 H GLU A 66 2.391 8.227 5.829 1.00 0.00 H new ATOM 0 HA GLU A 66 4.012 6.537 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.490 8.976 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.833 8.483 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.562 6.860 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.347 7.744 3.778 1.00 0.00 H new ATOM 1055 N SER A 67 3.375 5.751 7.137 1.00 0.00 N ATOM 1056 CA SER A 67 3.583 4.762 8.189 1.00 0.00 C ATOM 1057 C SER A 67 2.917 3.438 7.828 1.00 0.00 C ATOM 1058 O SER A 67 3.246 2.392 8.388 1.00 0.00 O ATOM 1059 CB SER A 67 3.031 5.278 9.519 1.00 0.00 C ATOM 1060 OG SER A 67 3.512 6.581 9.799 1.00 0.00 O ATOM 0 H SER A 67 2.532 6.314 7.248 1.00 0.00 H new ATOM 0 HA SER A 67 4.655 4.594 8.290 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.942 5.289 9.485 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.318 4.600 10.323 1.00 0.00 H new ATOM 0 HG SER A 67 3.144 6.889 10.653 1.00 0.00 H new ATOM 1066 N ARG A 68 1.978 3.491 6.889 1.00 0.00 N ATOM 1067 CA ARG A 68 1.263 2.297 6.454 1.00 0.00 C ATOM 1068 C ARG A 68 2.021 1.588 5.336 1.00 0.00 C ATOM 1069 O ARG A 68 1.690 0.462 4.964 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.144 2.663 5.978 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.161 2.758 7.103 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.557 2.393 6.624 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.592 2.866 7.540 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.883 2.593 7.394 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -5.297 1.852 6.375 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.765 3.059 8.270 1.00 0.00 N ATOM 0 H ARG A 68 1.695 4.348 6.415 1.00 0.00 H new ATOM 0 HA ARG A 68 1.186 1.620 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.104 3.618 5.454 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.480 1.917 5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.869 2.094 7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.166 3.771 7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.724 2.821 5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.633 1.311 6.519 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.307 3.437 8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.623 1.490 5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.290 1.644 6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.451 3.628 9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.757 2.848 8.157 1.00 0.00 H new ATOM 1090 N VAL A 69 3.040 2.254 4.803 1.00 0.00 N ATOM 1091 CA VAL A 69 3.846 1.688 3.727 1.00 0.00 C ATOM 1092 C VAL A 69 5.203 1.224 4.243 1.00 0.00 C ATOM 1093 O VAL A 69 5.786 1.844 5.133 1.00 0.00 O ATOM 1094 CB VAL A 69 4.061 2.706 2.591 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.537 2.004 1.328 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.783 3.488 2.328 1.00 0.00 C ATOM 0 H VAL A 69 3.328 3.187 5.099 1.00 0.00 H new ATOM 0 HA VAL A 69 3.297 0.831 3.337 1.00 0.00 H new ATOM 0 HB VAL A 69 4.834 3.411 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.683 2.739 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.479 1.494 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.790 1.276 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.953 4.203 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.988 2.800 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.491 4.023 3.232 1.00 0.00 H new ATOM 1106 N LEU A 70 5.702 0.130 3.679 1.00 0.00 N ATOM 1107 CA LEU A 70 6.992 -0.419 4.081 1.00 0.00 C ATOM 1108 C LEU A 70 7.983 -0.387 2.921 1.00 0.00 C ATOM 1109 O LEU A 70 7.602 -0.173 1.770 1.00 0.00 O ATOM 1110 CB LEU A 70 6.825 -1.854 4.584 1.00 0.00 C ATOM 1111 CG LEU A 70 5.697 -2.084 5.591 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.474 -3.573 5.810 1.00 0.00 C ATOM 1113 CD2 LEU A 70 6.010 -1.391 6.909 1.00 0.00 C ATOM 0 H LEU A 70 5.232 -0.395 2.941 1.00 0.00 H new ATOM 0 HA LEU A 70 7.385 0.199 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.655 -2.502 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.763 -2.169 5.041 1.00 0.00 H new ATOM 0 HG LEU A 70 4.780 -1.655 5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.668 -3.718 6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.206 -4.044 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.389 -4.025 6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.197 -1.565 7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.937 -1.791 7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.120 -0.320 6.740 1.00 0.00 H new ATOM 1125 N LYS A 71 9.257 -0.602 3.232 1.00 0.00 N ATOM 1126 CA LYS A 71 10.303 -0.602 2.217 1.00 0.00 C ATOM 1127 C LYS A 71 10.331 -1.928 1.463 1.00 0.00 C ATOM 1128 O LYS A 71 11.174 -2.140 0.592 1.00 0.00 O ATOM 1129 CB LYS A 71 11.667 -0.340 2.860 1.00 0.00 C ATOM 1130 CG LYS A 71 11.851 1.091 3.335 1.00 0.00 C ATOM 1131 CD LYS A 71 11.021 1.378 4.575 1.00 0.00 C ATOM 1132 CE LYS A 71 11.406 2.707 5.208 1.00 0.00 C ATOM 1133 NZ LYS A 71 12.620 2.583 6.060 1.00 0.00 N ATOM 0 H LYS A 71 9.590 -0.779 4.180 1.00 0.00 H new ATOM 0 HA LYS A 71 10.084 0.195 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.796 -1.014 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.450 -0.579 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.904 1.271 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.567 1.779 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.964 1.392 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.158 0.575 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.585 3.444 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.576 3.077 5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.850 3.509 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.441 1.899 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.419 2.254 5.481 1.00 0.00 H new ATOM 1147 N TYR A 72 9.403 -2.815 1.803 1.00 0.00 N ATOM 1148 CA TYR A 72 9.322 -4.121 1.160 1.00 0.00 C ATOM 1149 C TYR A 72 10.691 -4.793 1.117 1.00 0.00 C ATOM 1150 O TYR A 72 11.142 -5.243 0.064 1.00 0.00 O ATOM 1151 CB TYR A 72 8.766 -3.980 -0.258 1.00 0.00 C ATOM 1152 CG TYR A 72 7.953 -5.172 -0.711 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.458 -6.462 -0.607 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.680 -5.007 -1.243 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.719 -7.554 -1.020 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.933 -6.093 -1.658 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.457 -7.364 -1.544 1.00 0.00 C ATOM 1158 OH TYR A 72 5.717 -8.448 -1.957 1.00 0.00 O ATOM 0 H TYR A 72 8.696 -2.654 2.520 1.00 0.00 H new ATOM 0 HA TYR A 72 8.649 -4.746 1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.144 -3.086 -0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.594 -3.831 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.445 -6.614 -0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.267 -4.013 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.127 -8.550 -0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.945 -5.948 -2.069 1.00 0.00 H new ATOM 0 HH TYR A 72 4.821 -8.401 -1.564 1.00 0.00 H new ATOM 1168 N VAL A 73 11.347 -4.858 2.271 1.00 0.00 N ATOM 1169 CA VAL A 73 12.664 -5.477 2.368 1.00 0.00 C ATOM 1170 C VAL A 73 12.605 -6.773 3.168 1.00 0.00 C ATOM 1171 O VAL A 73 11.691 -6.981 3.967 1.00 0.00 O ATOM 1172 CB VAL A 73 13.683 -4.527 3.025 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.955 -3.331 2.126 1.00 0.00 C ATOM 1174 CG2 VAL A 73 13.187 -4.077 4.391 1.00 0.00 C ATOM 0 H VAL A 73 10.988 -4.490 3.152 1.00 0.00 H new ATOM 0 HA VAL A 73 12.986 -5.697 1.350 1.00 0.00 H new ATOM 0 HB VAL A 73 14.620 -5.066 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.677 -2.671 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.357 -3.676 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 73 13.026 -2.788 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.919 -3.406 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.237 -3.555 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.049 -4.947 5.033 1.00 0.00 H new ATOM 1184 N ASP A 74 13.585 -7.643 2.948 1.00 0.00 N ATOM 1185 CA ASP A 74 13.646 -8.920 3.650 1.00 0.00 C ATOM 1186 C ASP A 74 13.114 -8.783 5.074 1.00 0.00 C ATOM 1187 O ASP A 74 12.328 -9.611 5.537 1.00 0.00 O ATOM 1188 CB ASP A 74 15.082 -9.443 3.677 1.00 0.00 C ATOM 1189 CG ASP A 74 16.106 -8.325 3.681 1.00 0.00 C ATOM 1190 OD1 ASP A 74 16.398 -7.791 4.772 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.616 -7.984 2.593 1.00 0.00 O ATOM 0 H ASP A 74 14.348 -7.487 2.289 1.00 0.00 H new ATOM 0 HA ASP A 74 13.019 -9.632 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.223 -10.064 4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.249 -10.082 2.810 1.00 0.00 H new ATOM 1196 N THR A 75 13.549 -7.734 5.764 1.00 0.00 N ATOM 1197 CA THR A 75 13.119 -7.490 7.135 1.00 0.00 C ATOM 1198 C THR A 75 11.606 -7.331 7.217 1.00 0.00 C ATOM 1199 O THR A 75 10.929 -8.089 7.910 1.00 0.00 O ATOM 1200 CB THR A 75 13.789 -6.231 7.719 1.00 0.00 C ATOM 1201 OG1 THR A 75 15.124 -6.109 7.216 1.00 0.00 O ATOM 1202 CG2 THR A 75 13.817 -6.288 9.238 1.00 0.00 C ATOM 0 H THR A 75 14.199 -7.039 5.396 1.00 0.00 H new ATOM 0 HA THR A 75 13.422 -8.358 7.720 1.00 0.00 H new ATOM 0 HB THR A 75 13.206 -5.362 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.542 -5.306 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.295 -5.389 9.627 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.798 -6.351 9.619 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.379 -7.165 9.559 1.00 0.00 H new ATOM 1210 N ASN A 76 11.080 -6.340 6.504 1.00 0.00 N ATOM 1211 CA ASN A 76 9.645 -6.082 6.496 1.00 0.00 C ATOM 1212 C ASN A 76 8.877 -7.291 5.971 1.00 0.00 C ATOM 1213 O ASN A 76 7.704 -7.483 6.293 1.00 0.00 O ATOM 1214 CB ASN A 76 9.331 -4.853 5.639 1.00 0.00 C ATOM 1215 CG ASN A 76 9.893 -3.576 6.233 1.00 0.00 C ATOM 1216 OD1 ASN A 76 10.147 -3.496 7.435 1.00 0.00 O ATOM 1217 ND2 ASN A 76 10.088 -2.568 5.391 1.00 0.00 N ATOM 0 H ASN A 76 11.626 -5.703 5.924 1.00 0.00 H new ATOM 0 HA ASN A 76 9.330 -5.892 7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.740 -4.996 4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.251 -4.755 5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.462 -1.683 5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.863 -2.679 4.402 1.00 0.00 H new ATOM 1224 N LEU A 77 9.547 -8.103 5.161 1.00 0.00 N ATOM 1225 CA LEU A 77 8.929 -9.296 4.591 1.00 0.00 C ATOM 1226 C LEU A 77 8.613 -10.318 5.678 1.00 0.00 C ATOM 1227 O LEU A 77 7.545 -10.929 5.676 1.00 0.00 O ATOM 1228 CB LEU A 77 9.849 -9.919 3.540 1.00 0.00 C ATOM 1229 CG LEU A 77 10.005 -9.137 2.235 1.00 0.00 C ATOM 1230 CD1 LEU A 77 11.080 -9.764 1.362 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.679 -9.074 1.490 1.00 0.00 C ATOM 0 H LEU A 77 10.518 -7.958 4.884 1.00 0.00 H new ATOM 0 HA LEU A 77 7.994 -8.999 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.837 -10.049 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.473 -10.914 3.301 1.00 0.00 H new ATOM 0 HG LEU A 77 10.312 -8.120 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.177 -9.194 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.031 -9.756 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.804 -10.792 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.808 -8.514 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.343 -10.085 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.935 -8.578 2.113 1.00 0.00 H new ATOM 1243 N GLN A 78 9.549 -10.496 6.605 1.00 0.00 N ATOM 1244 CA GLN A 78 9.369 -11.444 7.699 1.00 0.00 C ATOM 1245 C GLN A 78 7.987 -11.294 8.326 1.00 0.00 C ATOM 1246 O GLN A 78 7.486 -12.212 8.977 1.00 0.00 O ATOM 1247 CB GLN A 78 10.450 -11.239 8.761 1.00 0.00 C ATOM 1248 CG GLN A 78 10.071 -10.222 9.826 1.00 0.00 C ATOM 1249 CD GLN A 78 11.255 -9.795 10.672 1.00 0.00 C ATOM 1250 OE1 GLN A 78 11.208 -9.853 11.901 1.00 0.00 O ATOM 1251 NE2 GLN A 78 12.325 -9.361 10.016 1.00 0.00 N ATOM 0 H GLN A 78 10.439 -9.997 6.621 1.00 0.00 H new ATOM 0 HA GLN A 78 9.456 -12.452 7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.662 -12.194 9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 78 11.370 -10.917 8.274 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.636 -9.345 9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.302 -10.647 10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.320 -9.330 8.996 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.152 -9.059 10.532 1.00 0.00 H new ATOM 1260 N LYS A 79 7.375 -10.132 8.127 1.00 0.00 N ATOM 1261 CA LYS A 79 6.050 -9.862 8.673 1.00 0.00 C ATOM 1262 C LYS A 79 4.964 -10.200 7.657 1.00 0.00 C ATOM 1263 O LYS A 79 4.112 -11.052 7.907 1.00 0.00 O ATOM 1264 CB LYS A 79 5.936 -8.393 9.086 1.00 0.00 C ATOM 1265 CG LYS A 79 4.610 -8.046 9.742 1.00 0.00 C ATOM 1266 CD LYS A 79 4.598 -6.615 10.253 1.00 0.00 C ATOM 1267 CE LYS A 79 3.210 -6.199 10.713 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.264 -5.114 11.731 1.00 0.00 N ATOM 0 H LYS A 79 7.775 -9.362 7.591 1.00 0.00 H new ATOM 0 HA LYS A 79 5.911 -10.492 9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.746 -8.154 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.071 -7.765 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.801 -8.184 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.422 -8.730 10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.301 -6.517 11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.938 -5.943 9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.629 -5.863 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.692 -7.063 11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.298 -4.859 12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.797 -5.443 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.736 -4.281 11.325 1.00 0.00 H new ATOM 1282 N GLN A 80 5.002 -9.528 6.510 1.00 0.00 N ATOM 1283 CA GLN A 80 4.021 -9.759 5.457 1.00 0.00 C ATOM 1284 C GLN A 80 3.581 -11.220 5.434 1.00 0.00 C ATOM 1285 O GLN A 80 2.411 -11.522 5.196 1.00 0.00 O ATOM 1286 CB GLN A 80 4.600 -9.367 4.097 1.00 0.00 C ATOM 1287 CG GLN A 80 4.061 -10.199 2.944 1.00 0.00 C ATOM 1288 CD GLN A 80 4.907 -11.425 2.664 1.00 0.00 C ATOM 1289 OE1 GLN A 80 6.129 -11.336 2.544 1.00 0.00 O ATOM 1290 NE2 GLN A 80 4.260 -12.580 2.558 1.00 0.00 N ATOM 0 H GLN A 80 5.701 -8.820 6.287 1.00 0.00 H new ATOM 0 HA GLN A 80 3.149 -9.139 5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.383 -8.316 3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.685 -9.467 4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.041 -10.510 3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.014 -9.582 2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.246 -12.608 2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.777 -13.439 2.370 1.00 0.00 H new ATOM 1299 N ARG A 81 4.525 -12.121 5.681 1.00 0.00 N ATOM 1300 CA ARG A 81 4.235 -13.550 5.687 1.00 0.00 C ATOM 1301 C ARG A 81 3.673 -13.985 7.038 1.00 0.00 C ATOM 1302 O ARG A 81 2.604 -14.589 7.110 1.00 0.00 O ATOM 1303 CB ARG A 81 5.499 -14.350 5.367 1.00 0.00 C ATOM 1304 CG ARG A 81 6.585 -14.221 6.422 1.00 0.00 C ATOM 1305 CD ARG A 81 7.927 -14.714 5.903 1.00 0.00 C ATOM 1306 NE ARG A 81 8.087 -16.154 6.082 1.00 0.00 N ATOM 1307 CZ ARG A 81 9.148 -16.834 5.661 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.138 -16.207 5.040 1.00 0.00 N ATOM 1309 NH2 ARG A 81 9.221 -18.144 5.861 1.00 0.00 N ATOM 0 H ARG A 81 5.498 -11.887 5.880 1.00 0.00 H new ATOM 0 HA ARG A 81 3.485 -13.746 4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.235 -15.402 5.256 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.895 -14.018 4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.673 -13.179 6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.304 -14.792 7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.019 -14.468 4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.731 -14.193 6.423 1.00 0.00 H new ATOM 0 HE ARG A 81 7.343 -16.666 6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.086 -15.200 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.951 -16.732 4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.462 -18.630 6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.036 -18.665 5.537 1.00 0.00 H new ATOM 1323 N GLU A 82 4.403 -13.673 8.104 1.00 0.00 N ATOM 1324 CA GLU A 82 3.977 -14.034 9.452 1.00 0.00 C ATOM 1325 C GLU A 82 2.493 -13.743 9.650 1.00 0.00 C ATOM 1326 O GLU A 82 1.789 -14.485 10.336 1.00 0.00 O ATOM 1327 CB GLU A 82 4.801 -13.271 10.492 1.00 0.00 C ATOM 1328 CG GLU A 82 4.162 -11.967 10.937 1.00 0.00 C ATOM 1329 CD GLU A 82 5.002 -11.224 11.958 1.00 0.00 C ATOM 1330 OE1 GLU A 82 6.208 -11.026 11.703 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.452 -10.840 13.011 1.00 0.00 O ATOM 0 H GLU A 82 5.290 -13.172 8.061 1.00 0.00 H new ATOM 0 HA GLU A 82 4.140 -15.104 9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.951 -13.908 11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.787 -13.060 10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.005 -11.329 10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.180 -12.174 11.362 1.00 0.00 H new ATOM 1338 N LEU A 83 2.023 -12.658 9.044 1.00 0.00 N ATOM 1339 CA LEU A 83 0.622 -12.267 9.153 1.00 0.00 C ATOM 1340 C LEU A 83 -0.260 -13.148 8.274 1.00 0.00 C ATOM 1341 O LEU A 83 -1.163 -13.824 8.765 1.00 0.00 O ATOM 1342 CB LEU A 83 0.449 -10.799 8.759 1.00 0.00 C ATOM 1343 CG LEU A 83 1.278 -9.789 9.553 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.043 -8.379 9.033 1.00 0.00 C ATOM 1345 CD2 LEU A 83 0.947 -9.875 11.035 1.00 0.00 C ATOM 0 H LEU A 83 2.592 -12.034 8.472 1.00 0.00 H new ATOM 0 HA LEU A 83 0.315 -12.397 10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.700 -10.695 7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.604 -10.537 8.864 1.00 0.00 H new ATOM 0 HG LEU A 83 2.333 -10.031 9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.641 -7.674 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.332 -8.326 7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.012 -8.126 9.132 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.546 -9.149 11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.111 -9.660 11.185 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.168 -10.878 11.400 1.00 0.00 H new ATOM 1357 N GLN A 84 0.012 -13.137 6.973 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.756 -13.937 6.026 1.00 0.00 C ATOM 1359 C GLN A 84 -0.886 -15.378 6.509 1.00 0.00 C ATOM 1360 O GLN A 84 -1.864 -16.061 6.206 1.00 0.00 O ATOM 1361 CB GLN A 84 -0.095 -13.907 4.647 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.112 -12.534 3.994 1.00 0.00 C ATOM 1363 CD GLN A 84 0.719 -12.480 2.727 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.066 -13.514 2.154 1.00 0.00 O ATOM 1365 NE2 GLN A 84 1.043 -11.272 2.282 1.00 0.00 N ATOM 0 H GLN A 84 0.758 -12.584 6.551 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.755 -13.507 5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.938 -14.243 4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.603 -14.617 3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.141 -12.259 3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.263 -11.795 4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.734 -10.442 2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.601 -11.174 1.434 1.00 0.00 H new ATOM 1374 N LYS A 85 0.108 -15.835 7.264 1.00 0.00 N ATOM 1375 CA LYS A 85 0.106 -17.194 7.791 1.00 0.00 C ATOM 1376 C LYS A 85 -0.471 -17.230 9.202 1.00 0.00 C ATOM 1377 O LYS A 85 -0.918 -18.275 9.674 1.00 0.00 O ATOM 1378 CB LYS A 85 1.527 -17.763 7.796 1.00 0.00 C ATOM 1379 CG LYS A 85 2.400 -17.211 8.909 1.00 0.00 C ATOM 1380 CD LYS A 85 3.607 -18.098 9.163 1.00 0.00 C ATOM 1381 CE LYS A 85 3.283 -19.213 10.145 1.00 0.00 C ATOM 1382 NZ LYS A 85 2.760 -20.425 9.456 1.00 0.00 N ATOM 0 H LYS A 85 0.925 -15.283 7.524 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.523 -17.806 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.475 -18.848 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.998 -17.549 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.734 -16.207 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.813 -17.123 9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.948 -18.529 8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.427 -17.495 9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.180 -19.474 10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.546 -18.859 10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.034 -21.274 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.723 -20.372 9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.157 -20.477 8.496 1.00 0.00 H new ATOM 1396 N ALA A 86 -0.461 -16.081 9.870 1.00 0.00 N ATOM 1397 CA ALA A 86 -0.987 -15.980 11.226 1.00 0.00 C ATOM 1398 C ALA A 86 -2.503 -16.150 11.240 1.00 0.00 C ATOM 1399 O ALA A 86 -3.046 -16.889 12.060 1.00 0.00 O ATOM 1400 CB ALA A 86 -0.598 -14.646 11.845 1.00 0.00 C ATOM 0 H ALA A 86 -0.094 -15.207 9.494 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.551 -16.784 11.819 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.997 -14.584 12.857 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.488 -14.563 11.878 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.006 -13.833 11.244 1.00 0.00 H new ATOM 1406 N ASN A 87 -3.180 -15.460 10.328 1.00 0.00 N ATOM 1407 CA ASN A 87 -4.633 -15.534 10.237 1.00 0.00 C ATOM 1408 C ASN A 87 -5.071 -15.933 8.831 1.00 0.00 C ATOM 1409 O ASN A 87 -5.273 -15.079 7.968 1.00 0.00 O ATOM 1410 CB ASN A 87 -5.258 -14.190 10.615 1.00 0.00 C ATOM 1411 CG ASN A 87 -4.500 -13.494 11.729 1.00 0.00 C ATOM 1412 OD1 ASN A 87 -4.577 -13.893 12.891 1.00 0.00 O ATOM 1413 ND2 ASN A 87 -3.764 -12.446 11.379 1.00 0.00 N ATOM 0 H ASN A 87 -2.745 -14.843 9.642 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.977 -16.297 10.936 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.283 -13.544 9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.291 -14.347 10.925 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.233 -11.937 12.086 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.729 -12.150 10.403 1.00 0.00 H new ATOM 1420 N GLN A 88 -5.216 -17.236 8.609 1.00 0.00 N ATOM 1421 CA GLN A 88 -5.630 -17.747 7.308 1.00 0.00 C ATOM 1422 C GLN A 88 -7.135 -17.595 7.117 1.00 0.00 C ATOM 1423 O GLN A 88 -7.599 -17.233 6.036 1.00 0.00 O ATOM 1424 CB GLN A 88 -5.232 -19.217 7.164 1.00 0.00 C ATOM 1425 CG GLN A 88 -3.735 -19.457 7.280 1.00 0.00 C ATOM 1426 CD GLN A 88 -3.369 -20.923 7.172 1.00 0.00 C ATOM 1427 OE1 GLN A 88 -3.990 -21.677 6.421 1.00 0.00 O ATOM 1428 NE2 GLN A 88 -2.354 -21.337 7.923 1.00 0.00 N ATOM 0 H GLN A 88 -5.053 -17.956 9.313 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.124 -17.163 6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.745 -19.800 7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.577 -19.585 6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.220 -18.899 6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.381 -19.068 8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.868 -20.678 8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.061 -22.314 7.891 1.00 0.00 H new ATOM 1437 N GLU A 89 -7.893 -17.874 8.173 1.00 0.00 N ATOM 1438 CA GLU A 89 -9.346 -17.769 8.120 1.00 0.00 C ATOM 1439 C GLU A 89 -9.774 -16.375 7.669 1.00 0.00 C ATOM 1440 O GLU A 89 -10.559 -16.229 6.732 1.00 0.00 O ATOM 1441 CB GLU A 89 -9.953 -18.083 9.489 1.00 0.00 C ATOM 1442 CG GLU A 89 -10.233 -19.560 9.706 1.00 0.00 C ATOM 1443 CD GLU A 89 -11.184 -20.132 8.672 1.00 0.00 C ATOM 1444 OE1 GLU A 89 -12.412 -19.998 8.857 1.00 0.00 O ATOM 1445 OE2 GLU A 89 -10.700 -20.712 7.678 1.00 0.00 O ATOM 0 H GLU A 89 -7.525 -18.174 9.075 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.711 -18.495 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.275 -17.732 10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.883 -17.525 9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.294 -20.112 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.655 -19.704 10.701 1.00 0.00 H new ATOM 1452 N GLN A 90 -9.254 -15.355 8.344 1.00 0.00 N ATOM 1453 CA GLN A 90 -9.583 -13.974 8.013 1.00 0.00 C ATOM 1454 C GLN A 90 -9.218 -13.658 6.567 1.00 0.00 C ATOM 1455 O GLN A 90 -10.047 -13.168 5.800 1.00 0.00 O ATOM 1456 CB GLN A 90 -8.855 -13.014 8.956 1.00 0.00 C ATOM 1457 CG GLN A 90 -9.391 -13.036 10.379 1.00 0.00 C ATOM 1458 CD GLN A 90 -10.803 -12.491 10.479 1.00 0.00 C ATOM 1459 OE1 GLN A 90 -11.764 -13.148 10.076 1.00 0.00 O ATOM 1460 NE2 GLN A 90 -10.935 -11.285 11.017 1.00 0.00 N ATOM 0 H GLN A 90 -8.604 -15.459 9.123 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.659 -13.845 8.133 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.795 -13.267 8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -8.935 -12.001 8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.373 -14.059 10.754 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.733 -12.450 11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.111 -10.777 11.337 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.861 -10.867 11.110 1.00 0.00 H new ATOM 1469 N TYR A 91 -7.973 -13.942 6.200 1.00 0.00 N ATOM 1470 CA TYR A 91 -7.498 -13.686 4.846 1.00 0.00 C ATOM 1471 C TYR A 91 -8.392 -14.368 3.816 1.00 0.00 C ATOM 1472 O TYR A 91 -8.798 -13.758 2.828 1.00 0.00 O ATOM 1473 CB TYR A 91 -6.056 -14.172 4.689 1.00 0.00 C ATOM 1474 CG TYR A 91 -5.283 -13.438 3.617 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -5.578 -13.620 2.272 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -4.256 -12.563 3.950 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -4.874 -12.952 1.289 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -3.547 -11.890 2.974 1.00 0.00 C ATOM 1479 CZ TYR A 91 -3.860 -12.087 1.645 1.00 0.00 C ATOM 1480 OH TYR A 91 -3.155 -11.419 0.670 1.00 0.00 O ATOM 0 H TYR A 91 -7.275 -14.350 6.822 1.00 0.00 H new ATOM 0 HA TYR A 91 -7.533 -12.610 4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.538 -14.059 5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.064 -15.237 4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.372 -14.296 1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.008 -12.407 4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.116 -13.106 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.752 -11.213 3.250 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.806 -10.579 1.036 1.00 0.00 H new ATOM 1490 N ALA A 92 -8.697 -15.639 4.056 1.00 0.00 N ATOM 1491 CA ALA A 92 -9.545 -16.406 3.152 1.00 0.00 C ATOM 1492 C ALA A 92 -10.942 -15.801 3.066 1.00 0.00 C ATOM 1493 O ALA A 92 -11.448 -15.539 1.975 1.00 0.00 O ATOM 1494 CB ALA A 92 -9.623 -17.856 3.604 1.00 0.00 C ATOM 0 H ALA A 92 -8.369 -16.160 4.870 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.100 -16.371 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.260 -18.417 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.623 -18.290 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.042 -17.902 4.609 1.00 0.00 H new ATOM 1500 N GLU A 93 -11.560 -15.581 4.222 1.00 0.00 N ATOM 1501 CA GLU A 93 -12.900 -15.008 4.275 1.00 0.00 C ATOM 1502 C GLU A 93 -13.046 -13.873 3.266 1.00 0.00 C ATOM 1503 O GLU A 93 -14.068 -13.756 2.591 1.00 0.00 O ATOM 1504 CB GLU A 93 -13.204 -14.495 5.684 1.00 0.00 C ATOM 1505 CG GLU A 93 -14.686 -14.474 6.017 1.00 0.00 C ATOM 1506 CD GLU A 93 -15.047 -13.377 7.000 1.00 0.00 C ATOM 1507 OE1 GLU A 93 -14.729 -12.202 6.720 1.00 0.00 O ATOM 1508 OE2 GLU A 93 -15.647 -13.693 8.049 1.00 0.00 O ATOM 0 H GLU A 93 -11.154 -15.791 5.134 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.613 -15.792 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.686 -15.122 6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.802 -13.487 5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.259 -14.338 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.975 -15.439 6.433 1.00 0.00 H new ATOM 1515 N GLY A 94 -12.016 -13.037 3.170 1.00 0.00 N ATOM 1516 CA GLY A 94 -12.050 -11.922 2.242 1.00 0.00 C ATOM 1517 C GLY A 94 -12.069 -12.372 0.795 1.00 0.00 C ATOM 1518 O GLY A 94 -12.973 -12.016 0.038 1.00 0.00 O ATOM 0 H GLY A 94 -11.159 -13.112 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.932 -11.314 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.180 -11.287 2.410 1.00 0.00 H new ATOM 1522 N LYS A 95 -11.069 -13.155 0.407 1.00 0.00 N ATOM 1523 CA LYS A 95 -10.973 -13.655 -0.959 1.00 0.00 C ATOM 1524 C LYS A 95 -12.295 -14.269 -1.408 1.00 0.00 C ATOM 1525 O LYS A 95 -13.178 -14.529 -0.591 1.00 0.00 O ATOM 1526 CB LYS A 95 -9.854 -14.693 -1.067 1.00 0.00 C ATOM 1527 CG LYS A 95 -8.462 -14.104 -0.922 1.00 0.00 C ATOM 1528 CD LYS A 95 -7.394 -15.071 -1.405 1.00 0.00 C ATOM 1529 CE LYS A 95 -7.150 -14.930 -2.900 1.00 0.00 C ATOM 1530 NZ LYS A 95 -8.079 -15.779 -3.696 1.00 0.00 N ATOM 0 H LYS A 95 -10.312 -13.458 1.020 1.00 0.00 H new ATOM 0 HA LYS A 95 -10.743 -12.813 -1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.000 -15.453 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.928 -15.196 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.398 -13.176 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.280 -13.851 0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.465 -14.888 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.698 -16.093 -1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.272 -13.887 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.120 -15.206 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.608 -16.081 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.346 -16.616 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.932 -15.233 -3.932 1.00 0.00 H new ATOM 1544 N MET A 96 -12.424 -14.499 -2.711 1.00 0.00 N ATOM 1545 CA MET A 96 -13.638 -15.085 -3.267 1.00 0.00 C ATOM 1546 C MET A 96 -13.309 -16.293 -4.138 1.00 0.00 C ATOM 1547 O MET A 96 -12.161 -16.488 -4.537 1.00 0.00 O ATOM 1548 CB MET A 96 -14.403 -14.044 -4.086 1.00 0.00 C ATOM 1549 CG MET A 96 -13.678 -13.613 -5.350 1.00 0.00 C ATOM 1550 SD MET A 96 -14.242 -12.013 -5.964 1.00 0.00 S ATOM 1551 CE MET A 96 -12.877 -10.962 -5.473 1.00 0.00 C ATOM 0 H MET A 96 -11.703 -14.289 -3.401 1.00 0.00 H new ATOM 0 HA MET A 96 -14.264 -15.417 -2.439 1.00 0.00 H new ATOM 0 HB2 MET A 96 -15.377 -14.451 -4.357 1.00 0.00 H new ATOM 0 HB3 MET A 96 -14.585 -13.167 -3.465 1.00 0.00 H new ATOM 0 HG2 MET A 96 -12.607 -13.565 -5.151 1.00 0.00 H new ATOM 0 HG3 MET A 96 -13.825 -14.367 -6.123 1.00 0.00 H new ATOM 0 HE1 MET A 96 -13.077 -9.937 -5.784 1.00 0.00 H new ATOM 0 HE2 MET A 96 -12.762 -10.997 -4.390 1.00 0.00 H new ATOM 0 HE3 MET A 96 -11.960 -11.312 -5.947 1.00 0.00 H new ATOM 1561 N ARG A 97 -14.323 -17.101 -4.428 1.00 0.00 N ATOM 1562 CA ARG A 97 -14.140 -18.291 -5.251 1.00 0.00 C ATOM 1563 C ARG A 97 -14.234 -17.946 -6.734 1.00 0.00 C ATOM 1564 O ARG A 97 -14.809 -16.926 -7.110 1.00 0.00 O ATOM 1565 CB ARG A 97 -15.187 -19.349 -4.895 1.00 0.00 C ATOM 1566 CG ARG A 97 -14.932 -20.033 -3.562 1.00 0.00 C ATOM 1567 CD ARG A 97 -16.193 -20.692 -3.024 1.00 0.00 C ATOM 1568 NE ARG A 97 -16.160 -20.831 -1.571 1.00 0.00 N ATOM 1569 CZ ARG A 97 -16.876 -21.729 -0.902 1.00 0.00 C ATOM 1570 NH1 ARG A 97 -17.674 -22.563 -1.553 1.00 0.00 N ATOM 1571 NH2 ARG A 97 -16.792 -21.794 0.421 1.00 0.00 N ATOM 0 H ARG A 97 -15.279 -16.954 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.146 -18.691 -5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.171 -18.881 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -15.212 -20.103 -5.682 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -14.150 -20.783 -3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -14.566 -19.302 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -17.062 -20.101 -3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -16.311 -21.675 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 97 -15.554 -20.205 -1.040 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -17.740 -22.517 -2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -18.222 -23.251 -1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.178 -21.155 0.925 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.342 -22.483 0.934 1.00 0.00 H new ATOM 1585 N GLY A 98 -13.663 -18.806 -7.573 1.00 0.00 N ATOM 1586 CA GLY A 98 -13.693 -18.574 -9.006 1.00 0.00 C ATOM 1587 C GLY A 98 -12.394 -17.992 -9.526 1.00 0.00 C ATOM 1588 O GLY A 98 -12.393 -16.965 -10.204 1.00 0.00 O ATOM 0 H GLY A 98 -13.181 -19.658 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.898 -19.514 -9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -14.512 -17.896 -9.244 1.00 0.00 H new ATOM 1592 N ALA A 99 -11.283 -18.649 -9.207 1.00 0.00 N ATOM 1593 CA ALA A 99 -9.971 -18.190 -9.647 1.00 0.00 C ATOM 1594 C ALA A 99 -9.034 -19.367 -9.895 1.00 0.00 C ATOM 1595 O ALA A 99 -9.387 -20.518 -9.642 1.00 0.00 O ATOM 1596 CB ALA A 99 -9.371 -17.243 -8.619 1.00 0.00 C ATOM 0 H ALA A 99 -11.266 -19.500 -8.646 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.097 -17.654 -10.588 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.392 -16.908 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.026 -16.381 -8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.265 -17.761 -7.666 1.00 0.00 H new ATOM 1602 N ALA A 100 -7.838 -19.070 -10.393 1.00 0.00 N ATOM 1603 CA ALA A 100 -6.849 -20.103 -10.674 1.00 0.00 C ATOM 1604 C ALA A 100 -5.639 -19.969 -9.756 1.00 0.00 C ATOM 1605 O ALA A 100 -4.764 -20.836 -9.737 1.00 0.00 O ATOM 1606 CB ALA A 100 -6.418 -20.038 -12.132 1.00 0.00 C ATOM 0 H ALA A 100 -7.531 -18.122 -10.610 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.309 -21.073 -10.485 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.679 -20.815 -12.328 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.285 -20.191 -12.775 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.981 -19.061 -12.339 1.00 0.00 H new TER 1612 ALA A 100