USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 751 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 35 ASN : amide:sc= -3.97 K(o=-6.1,f=-19!) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -2.1 K(o=-6.1,f=-6.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -58:sc= 0.0582 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0699 K(o=-0.07,f=-1.2) USER MOD Single : A 9 GLN : amide:sc= -0.125 K(o=-0.13,f=-0.66) USER MOD Single : A 10 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.1) USER MOD Single : A 11 GLN : amide:sc=-0.00679 X(o=-0.0068,f=-0.22) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc=-0.00988 X(o=-0.0099,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.055) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0535 K(o=-0.054,f=-0.76) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.2) USER MOD Single : A 30 MET CE :methyl -153:sc= -0.087 (180deg=-0.826) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= 0.307 (180deg=0.157) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0637 X(o=-0.064,f=-0.2) USER MOD Single : A 50 THR OG1 : rot -76:sc= 1.16! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 54 GLN : amide:sc= -0.0812 K(o=-0.081,f=-1.3!) USER MOD Single : A 57 CYS SG : rot 67:sc= 0.058 USER MOD Single : A 64 CYS SG : rot 58:sc= -1.13 USER MOD Single : A 65 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.6!) USER MOD Single : A 69 ASN : amide:sc= 0.583 K(o=0.58,f=-3.8!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.459 K(o=-0.46,f=-1.2) USER MOD Single : A 82 THR OG1 : rot -72:sc= 1.14 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0362) USER MOD Single : A 91 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.119) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.858 X(o=-0.86,f=-0.95!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 65:sc= 1.14 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.943 24.604 13.385 1.00 0.00 N ATOM 2 CA GLY A 1 0.450 24.301 12.052 1.00 0.00 C ATOM 3 C GLY A 1 1.587 23.835 11.140 1.00 0.00 C ATOM 4 O GLY A 1 1.575 22.705 10.654 1.00 0.00 O ATOM 0 H1 GLY A 1 0.153 24.918 13.984 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.374 23.752 13.798 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.656 25.359 13.328 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.315 23.527 12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.024 25.185 11.626 1.00 0.00 H new ATOM 8 N SER A 2 2.543 24.730 10.935 1.00 0.00 N ATOM 9 CA SER A 2 3.685 24.424 10.090 1.00 0.00 C ATOM 10 C SER A 2 3.222 24.178 8.653 1.00 0.00 C ATOM 11 O SER A 2 2.644 23.135 8.354 1.00 0.00 O ATOM 12 CB SER A 2 4.451 23.209 10.617 1.00 0.00 C ATOM 13 OG SER A 2 5.218 23.522 11.777 1.00 0.00 O ATOM 0 H SER A 2 2.550 25.666 11.339 1.00 0.00 H new ATOM 0 HA SER A 2 4.360 25.279 10.106 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.747 22.411 10.853 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.112 22.831 9.837 1.00 0.00 H new ATOM 0 HG SER A 2 5.690 22.720 12.083 1.00 0.00 H new ATOM 19 N SER A 3 3.494 25.157 7.802 1.00 0.00 N ATOM 20 CA SER A 3 3.112 25.059 6.404 1.00 0.00 C ATOM 21 C SER A 3 3.866 26.106 5.581 1.00 0.00 C ATOM 22 O SER A 3 3.895 27.282 5.943 1.00 0.00 O ATOM 23 CB SER A 3 1.602 25.236 6.231 1.00 0.00 C ATOM 24 OG SER A 3 1.127 24.629 5.033 1.00 0.00 O ATOM 0 H SER A 3 3.974 26.021 8.054 1.00 0.00 H new ATOM 0 HA SER A 3 3.377 24.064 6.047 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.086 24.801 7.087 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.361 26.299 6.219 1.00 0.00 H new ATOM 0 HG SER A 3 0.159 24.763 4.960 1.00 0.00 H new ATOM 30 N GLY A 4 4.458 25.641 4.491 1.00 0.00 N ATOM 31 CA GLY A 4 5.210 26.523 3.614 1.00 0.00 C ATOM 32 C GLY A 4 5.545 25.827 2.293 1.00 0.00 C ATOM 33 O GLY A 4 6.703 25.502 2.035 1.00 0.00 O ATOM 0 H GLY A 4 4.432 24.665 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.632 27.426 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.130 26.835 4.108 1.00 0.00 H new ATOM 37 N SER A 5 4.510 25.620 1.492 1.00 0.00 N ATOM 38 CA SER A 5 4.680 24.969 0.204 1.00 0.00 C ATOM 39 C SER A 5 5.778 25.672 -0.597 1.00 0.00 C ATOM 40 O SER A 5 5.869 26.898 -0.589 1.00 0.00 O ATOM 41 CB SER A 5 3.370 24.961 -0.586 1.00 0.00 C ATOM 42 OG SER A 5 2.915 23.637 -0.853 1.00 0.00 O ATOM 0 H SER A 5 3.551 25.891 1.710 1.00 0.00 H new ATOM 0 HA SER A 5 4.973 23.934 0.380 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.606 25.501 -0.026 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.511 25.492 -1.527 1.00 0.00 H new ATOM 0 HG SER A 5 3.603 23.149 -1.353 1.00 0.00 H new ATOM 48 N SER A 6 6.585 24.864 -1.269 1.00 0.00 N ATOM 49 CA SER A 6 7.673 25.393 -2.074 1.00 0.00 C ATOM 50 C SER A 6 7.190 25.651 -3.502 1.00 0.00 C ATOM 51 O SER A 6 7.307 24.784 -4.367 1.00 0.00 O ATOM 52 CB SER A 6 8.867 24.436 -2.082 1.00 0.00 C ATOM 53 OG SER A 6 10.078 25.090 -1.710 1.00 0.00 O ATOM 0 H SER A 6 6.507 23.847 -1.273 1.00 0.00 H new ATOM 0 HA SER A 6 7.999 26.335 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.675 23.611 -1.396 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.979 24.004 -3.077 1.00 0.00 H new ATOM 0 HG SER A 6 10.816 24.445 -1.726 1.00 0.00 H new ATOM 59 N GLY A 7 6.658 26.848 -3.706 1.00 0.00 N ATOM 60 CA GLY A 7 6.157 27.231 -5.015 1.00 0.00 C ATOM 61 C GLY A 7 4.754 27.831 -4.910 1.00 0.00 C ATOM 62 O GLY A 7 4.450 28.548 -3.958 1.00 0.00 O ATOM 0 H GLY A 7 6.563 27.565 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.833 27.955 -5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.136 26.360 -5.670 1.00 0.00 H new ATOM 66 N ASN A 8 3.935 27.515 -5.903 1.00 0.00 N ATOM 67 CA ASN A 8 2.571 28.014 -5.935 1.00 0.00 C ATOM 68 C ASN A 8 1.606 26.838 -6.105 1.00 0.00 C ATOM 69 O ASN A 8 1.293 26.445 -7.228 1.00 0.00 O ATOM 70 CB ASN A 8 2.361 28.971 -7.110 1.00 0.00 C ATOM 71 CG ASN A 8 1.115 29.833 -6.900 1.00 0.00 C ATOM 72 OD1 ASN A 8 0.016 29.343 -6.700 1.00 0.00 O ATOM 73 ND2 ASN A 8 1.347 31.142 -6.956 1.00 0.00 N ATOM 0 H ASN A 8 4.190 26.920 -6.691 1.00 0.00 H new ATOM 0 HA ASN A 8 2.384 28.544 -5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.236 29.612 -7.223 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.262 28.401 -8.034 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.580 31.802 -6.828 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.292 31.486 -7.127 1.00 0.00 H new ATOM 80 N GLN A 9 1.163 26.310 -4.974 1.00 0.00 N ATOM 81 CA GLN A 9 0.240 25.187 -4.984 1.00 0.00 C ATOM 82 C GLN A 9 0.765 24.077 -5.898 1.00 0.00 C ATOM 83 O GLN A 9 0.602 24.142 -7.115 1.00 0.00 O ATOM 84 CB GLN A 9 -1.160 25.632 -5.410 1.00 0.00 C ATOM 85 CG GLN A 9 -2.011 26.002 -4.193 1.00 0.00 C ATOM 86 CD GLN A 9 -3.460 25.547 -4.378 1.00 0.00 C ATOM 87 OE1 GLN A 9 -3.740 24.463 -4.864 1.00 0.00 O ATOM 88 NE2 GLN A 9 -4.363 26.432 -3.966 1.00 0.00 N ATOM 0 H GLN A 9 1.426 26.638 -4.045 1.00 0.00 H new ATOM 0 HA GLN A 9 0.167 24.792 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.085 26.488 -6.080 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.646 24.832 -5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.593 25.541 -3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.982 27.081 -4.039 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.061 27.321 -3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.358 26.221 -4.048 1.00 0.00 H new ATOM 97 N ASN A 10 1.383 23.085 -5.275 1.00 0.00 N ATOM 98 CA ASN A 10 1.933 21.963 -6.017 1.00 0.00 C ATOM 99 C ASN A 10 0.804 20.996 -6.381 1.00 0.00 C ATOM 100 O ASN A 10 0.407 20.165 -5.566 1.00 0.00 O ATOM 101 CB ASN A 10 2.958 21.198 -5.179 1.00 0.00 C ATOM 102 CG ASN A 10 4.227 20.918 -5.987 1.00 0.00 C ATOM 103 OD1 ASN A 10 4.836 21.804 -6.562 1.00 0.00 O ATOM 104 ND2 ASN A 10 4.591 19.638 -5.997 1.00 0.00 N ATOM 0 H ASN A 10 1.515 23.034 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 10 2.418 22.355 -6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.209 21.775 -4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.525 20.258 -4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.425 19.349 -6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.036 18.946 -5.494 1.00 0.00 H new ATOM 111 N GLN A 11 0.318 21.138 -7.606 1.00 0.00 N ATOM 112 CA GLN A 11 -0.757 20.288 -8.088 1.00 0.00 C ATOM 113 C GLN A 11 -0.993 20.526 -9.580 1.00 0.00 C ATOM 114 O GLN A 11 -1.891 21.277 -9.959 1.00 0.00 O ATOM 115 CB GLN A 11 -2.039 20.518 -7.286 1.00 0.00 C ATOM 116 CG GLN A 11 -3.157 19.586 -7.759 1.00 0.00 C ATOM 117 CD GLN A 11 -4.269 19.488 -6.712 1.00 0.00 C ATOM 118 OE1 GLN A 11 -4.033 19.256 -5.538 1.00 0.00 O ATOM 119 NE2 GLN A 11 -5.491 19.678 -7.202 1.00 0.00 N ATOM 0 H GLN A 11 0.649 21.829 -8.279 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.462 19.248 -7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.845 20.350 -6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.357 21.555 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.569 19.954 -8.699 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.750 18.594 -7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.618 19.868 -8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.301 19.633 -6.584 1.00 0.00 H new ATOM 128 N THR A 12 -0.172 19.871 -10.388 1.00 0.00 N ATOM 129 CA THR A 12 -0.280 20.002 -11.832 1.00 0.00 C ATOM 130 C THR A 12 -1.100 18.848 -12.412 1.00 0.00 C ATOM 131 O THR A 12 -0.654 17.701 -12.407 1.00 0.00 O ATOM 132 CB THR A 12 1.135 20.091 -12.406 1.00 0.00 C ATOM 133 OG1 THR A 12 1.621 21.347 -11.939 1.00 0.00 O ATOM 134 CG2 THR A 12 1.141 20.233 -13.929 1.00 0.00 C ATOM 0 H THR A 12 0.571 19.248 -10.071 1.00 0.00 H new ATOM 0 HA THR A 12 -0.815 20.910 -12.108 1.00 0.00 H new ATOM 0 HB THR A 12 1.698 19.202 -12.122 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.535 21.485 -12.264 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.170 20.292 -14.285 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.651 19.368 -14.377 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.607 21.140 -14.212 1.00 0.00 H new ATOM 142 N GLN A 13 -2.284 19.190 -12.898 1.00 0.00 N ATOM 143 CA GLN A 13 -3.169 18.197 -13.481 1.00 0.00 C ATOM 144 C GLN A 13 -3.021 18.181 -15.003 1.00 0.00 C ATOM 145 O GLN A 13 -3.138 19.219 -15.653 1.00 0.00 O ATOM 146 CB GLN A 13 -4.622 18.452 -13.074 1.00 0.00 C ATOM 147 CG GLN A 13 -5.146 19.748 -13.696 1.00 0.00 C ATOM 148 CD GLN A 13 -6.171 20.420 -12.780 1.00 0.00 C ATOM 149 OE1 GLN A 13 -7.240 19.896 -12.512 1.00 0.00 O ATOM 150 NE2 GLN A 13 -5.788 21.606 -12.317 1.00 0.00 N ATOM 0 H GLN A 13 -2.651 20.142 -12.900 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.885 17.217 -13.098 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.244 17.615 -13.390 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.694 18.510 -11.988 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.315 20.429 -13.880 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.602 19.533 -14.662 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.879 21.987 -12.581 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.403 22.135 -11.698 1.00 0.00 H new ATOM 159 N HIS A 14 -2.764 16.992 -15.528 1.00 0.00 N ATOM 160 CA HIS A 14 -2.598 16.827 -16.962 1.00 0.00 C ATOM 161 C HIS A 14 -3.434 15.639 -17.443 1.00 0.00 C ATOM 162 O HIS A 14 -2.954 14.506 -17.462 1.00 0.00 O ATOM 163 CB HIS A 14 -1.118 16.697 -17.327 1.00 0.00 C ATOM 164 CG HIS A 14 -0.795 17.116 -18.741 1.00 0.00 C ATOM 165 ND1 HIS A 14 0.256 16.575 -19.461 1.00 0.00 N ATOM 166 CD2 HIS A 14 -1.394 18.027 -19.560 1.00 0.00 C ATOM 167 CE1 HIS A 14 0.279 17.142 -20.658 1.00 0.00 C ATOM 168 NE2 HIS A 14 -0.744 18.042 -20.717 1.00 0.00 N ATOM 0 H HIS A 14 -2.667 16.134 -14.986 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.963 17.715 -17.478 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.530 17.301 -16.637 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.809 15.661 -17.186 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.252 18.633 -19.310 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.984 16.929 -21.448 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.972 18.630 -21.519 1.00 0.00 H new ATOM 176 N LYS A 15 -4.668 15.938 -17.819 1.00 0.00 N ATOM 177 CA LYS A 15 -5.575 14.908 -18.298 1.00 0.00 C ATOM 178 C LYS A 15 -5.950 13.984 -17.137 1.00 0.00 C ATOM 179 O LYS A 15 -5.428 12.876 -17.027 1.00 0.00 O ATOM 180 CB LYS A 15 -4.968 14.175 -19.495 1.00 0.00 C ATOM 181 CG LYS A 15 -5.568 14.680 -20.809 1.00 0.00 C ATOM 182 CD LYS A 15 -4.696 14.277 -22.000 1.00 0.00 C ATOM 183 CE LYS A 15 -3.711 15.392 -22.360 1.00 0.00 C ATOM 184 NZ LYS A 15 -2.485 14.824 -22.964 1.00 0.00 N ATOM 0 H LYS A 15 -5.062 16.879 -17.802 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.500 15.355 -18.662 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.888 14.320 -19.505 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.145 13.104 -19.398 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.572 14.274 -20.935 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.665 15.765 -20.775 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.148 13.365 -21.762 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.328 14.054 -22.859 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.178 16.088 -23.057 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.454 15.961 -21.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.827 15.593 -23.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.032 14.178 -22.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.734 14.301 -23.828 1.00 0.00 H new ATOM 198 N GLN A 16 -6.851 14.476 -16.299 1.00 0.00 N ATOM 199 CA GLN A 16 -7.302 13.708 -15.151 1.00 0.00 C ATOM 200 C GLN A 16 -7.486 12.238 -15.533 1.00 0.00 C ATOM 201 O GLN A 16 -8.078 11.932 -16.567 1.00 0.00 O ATOM 202 CB GLN A 16 -8.595 14.291 -14.575 1.00 0.00 C ATOM 203 CG GLN A 16 -8.293 15.373 -13.537 1.00 0.00 C ATOM 204 CD GLN A 16 -8.381 14.810 -12.117 1.00 0.00 C ATOM 205 OE1 GLN A 16 -8.265 13.618 -11.886 1.00 0.00 O ATOM 206 NE2 GLN A 16 -8.590 15.732 -11.181 1.00 0.00 N ATOM 0 H GLN A 16 -7.281 15.396 -16.392 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.538 13.768 -14.376 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.198 14.712 -15.379 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.184 13.497 -14.117 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.297 15.780 -13.710 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.998 16.197 -13.650 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.678 16.714 -11.443 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.662 15.457 -10.201 1.00 0.00 H new ATOM 215 N ARG A 17 -6.968 11.368 -14.679 1.00 0.00 N ATOM 216 CA ARG A 17 -7.068 9.938 -14.914 1.00 0.00 C ATOM 217 C ARG A 17 -8.064 9.307 -13.939 1.00 0.00 C ATOM 218 O ARG A 17 -8.300 9.841 -12.856 1.00 0.00 O ATOM 219 CB ARG A 17 -5.707 9.257 -14.754 1.00 0.00 C ATOM 220 CG ARG A 17 -5.299 9.187 -13.281 1.00 0.00 C ATOM 221 CD ARG A 17 -3.778 9.242 -13.130 1.00 0.00 C ATOM 222 NE ARG A 17 -3.363 8.508 -11.914 1.00 0.00 N ATOM 223 CZ ARG A 17 -2.185 8.680 -11.298 1.00 0.00 C ATOM 224 NH1 ARG A 17 -1.299 9.562 -11.780 1.00 0.00 N ATOM 225 NH2 ARG A 17 -1.894 7.969 -10.200 1.00 0.00 N ATOM 0 H ARG A 17 -6.477 11.626 -13.823 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.416 9.794 -15.937 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.748 8.251 -15.172 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.953 9.806 -15.318 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.752 10.014 -12.735 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.679 8.266 -12.838 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.301 8.806 -14.008 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.448 10.279 -13.069 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.014 7.829 -11.520 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.521 10.103 -12.616 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.403 9.693 -11.311 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.569 7.297 -9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.998 8.099 -9.731 1.00 0.00 H new ATOM 239 N PRO A 18 -8.636 8.151 -14.369 1.00 0.00 N ATOM 240 CA PRO A 18 -9.601 7.442 -13.546 1.00 0.00 C ATOM 241 C PRO A 18 -8.907 6.711 -12.394 1.00 0.00 C ATOM 242 O PRO A 18 -7.729 6.944 -12.127 1.00 0.00 O ATOM 243 CB PRO A 18 -10.316 6.501 -14.501 1.00 0.00 C ATOM 244 CG PRO A 18 -9.417 6.381 -15.721 1.00 0.00 C ATOM 245 CD PRO A 18 -8.380 7.490 -15.645 1.00 0.00 C ATOM 0 HA PRO A 18 -10.312 8.111 -13.060 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.480 5.527 -14.040 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.296 6.893 -14.775 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.932 5.405 -15.743 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.002 6.467 -16.637 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.367 7.089 -15.687 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.482 8.185 -16.478 1.00 0.00 H new ATOM 253 N GLN A 19 -9.668 5.843 -11.744 1.00 0.00 N ATOM 254 CA GLN A 19 -9.141 5.077 -10.627 1.00 0.00 C ATOM 255 C GLN A 19 -8.461 6.006 -9.619 1.00 0.00 C ATOM 256 O GLN A 19 -7.269 6.285 -9.734 1.00 0.00 O ATOM 257 CB GLN A 19 -8.176 3.994 -11.112 1.00 0.00 C ATOM 258 CG GLN A 19 -7.587 3.216 -9.933 1.00 0.00 C ATOM 259 CD GLN A 19 -6.062 3.140 -10.033 1.00 0.00 C ATOM 260 OE1 GLN A 19 -5.345 4.072 -9.709 1.00 0.00 O ATOM 261 NE2 GLN A 19 -5.608 1.980 -10.500 1.00 0.00 N ATOM 0 H GLN A 19 -10.645 5.653 -11.969 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.973 4.580 -10.129 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.698 3.309 -11.780 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.372 4.450 -11.689 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.870 3.698 -8.997 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.004 2.209 -9.912 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.263 1.240 -10.753 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.605 1.830 -10.605 1.00 0.00 H new ATOM 270 N ALA A 20 -9.249 6.460 -8.655 1.00 0.00 N ATOM 271 CA ALA A 20 -8.738 7.352 -7.629 1.00 0.00 C ATOM 272 C ALA A 20 -9.912 7.991 -6.884 1.00 0.00 C ATOM 273 O ALA A 20 -9.822 8.254 -5.686 1.00 0.00 O ATOM 274 CB ALA A 20 -7.817 8.393 -8.269 1.00 0.00 C ATOM 0 H ALA A 20 -10.238 6.226 -8.563 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.147 6.799 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.434 9.062 -7.499 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.984 7.889 -8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.376 8.970 -9.005 1.00 0.00 H new ATOM 280 N THR A 21 -10.985 8.222 -7.624 1.00 0.00 N ATOM 281 CA THR A 21 -12.176 8.826 -7.049 1.00 0.00 C ATOM 282 C THR A 21 -13.005 7.771 -6.314 1.00 0.00 C ATOM 283 O THR A 21 -12.727 7.452 -5.159 1.00 0.00 O ATOM 284 CB THR A 21 -12.941 9.526 -8.174 1.00 0.00 C ATOM 285 OG1 THR A 21 -12.130 10.651 -8.498 1.00 0.00 O ATOM 286 CG2 THR A 21 -14.257 10.141 -7.691 1.00 0.00 C ATOM 0 H THR A 21 -11.056 8.002 -8.617 1.00 0.00 H new ATOM 0 HA THR A 21 -11.919 9.573 -6.298 1.00 0.00 H new ATOM 0 HB THR A 21 -13.145 8.813 -8.973 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.551 11.161 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.761 10.625 -8.527 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.898 9.358 -7.286 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.051 10.879 -6.915 1.00 0.00 H new ATOM 294 N ALA A 22 -14.008 7.260 -7.013 1.00 0.00 N ATOM 295 CA ALA A 22 -14.880 6.248 -6.441 1.00 0.00 C ATOM 296 C ALA A 22 -14.099 4.943 -6.274 1.00 0.00 C ATOM 297 O ALA A 22 -14.314 4.206 -5.313 1.00 0.00 O ATOM 298 CB ALA A 22 -16.116 6.079 -7.326 1.00 0.00 C ATOM 0 H ALA A 22 -14.236 7.528 -7.970 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.226 6.554 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -16.770 5.320 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.652 7.026 -7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.809 5.770 -8.325 1.00 0.00 H new ATOM 304 N GLU A 23 -13.209 4.698 -7.224 1.00 0.00 N ATOM 305 CA GLU A 23 -12.395 3.494 -7.194 1.00 0.00 C ATOM 306 C GLU A 23 -11.689 3.364 -5.844 1.00 0.00 C ATOM 307 O GLU A 23 -11.844 2.358 -5.152 1.00 0.00 O ATOM 308 CB GLU A 23 -11.386 3.487 -8.344 1.00 0.00 C ATOM 309 CG GLU A 23 -10.894 2.067 -8.633 1.00 0.00 C ATOM 310 CD GLU A 23 -11.571 1.496 -9.881 1.00 0.00 C ATOM 311 OE1 GLU A 23 -11.873 2.306 -10.784 1.00 0.00 O ATOM 312 OE2 GLU A 23 -11.771 0.262 -9.903 1.00 0.00 O ATOM 0 H GLU A 23 -13.033 5.312 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.050 2.632 -7.323 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.846 3.905 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.539 4.125 -8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.813 2.074 -8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.101 1.425 -7.777 1.00 0.00 H new ATOM 319 N GLN A 24 -10.929 4.396 -5.507 1.00 0.00 N ATOM 320 CA GLN A 24 -10.199 4.410 -4.251 1.00 0.00 C ATOM 321 C GLN A 24 -11.086 3.896 -3.116 1.00 0.00 C ATOM 322 O GLN A 24 -10.736 2.931 -2.438 1.00 0.00 O ATOM 323 CB GLN A 24 -9.667 5.811 -3.941 1.00 0.00 C ATOM 324 CG GLN A 24 -8.573 5.758 -2.873 1.00 0.00 C ATOM 325 CD GLN A 24 -8.547 7.048 -2.051 1.00 0.00 C ATOM 326 OE1 GLN A 24 -7.826 7.988 -2.346 1.00 0.00 O ATOM 327 NE2 GLN A 24 -9.371 7.042 -1.007 1.00 0.00 N ATOM 0 H GLN A 24 -10.803 5.229 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.341 3.745 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.271 6.263 -4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.484 6.447 -3.599 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.743 4.906 -2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.604 5.605 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.947 6.222 -0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.427 7.857 -0.397 1.00 0.00 H new ATOM 336 N ILE A 25 -12.217 4.564 -2.943 1.00 0.00 N ATOM 337 CA ILE A 25 -13.157 4.188 -1.901 1.00 0.00 C ATOM 338 C ILE A 25 -13.301 2.665 -1.876 1.00 0.00 C ATOM 339 O ILE A 25 -13.088 2.034 -0.842 1.00 0.00 O ATOM 340 CB ILE A 25 -14.484 4.928 -2.083 1.00 0.00 C ATOM 341 CG1 ILE A 25 -14.339 6.408 -1.725 1.00 0.00 C ATOM 342 CG2 ILE A 25 -15.602 4.252 -1.287 1.00 0.00 C ATOM 343 CD1 ILE A 25 -15.358 7.259 -2.486 1.00 0.00 C ATOM 0 H ILE A 25 -12.504 5.364 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.782 4.490 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.763 4.877 -3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -14.477 6.541 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.330 6.746 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -16.534 4.798 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.724 3.225 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.345 4.251 -0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.233 8.307 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.201 7.142 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.367 6.935 -2.229 1.00 0.00 H new ATOM 355 N ARG A 26 -13.661 2.117 -3.028 1.00 0.00 N ATOM 356 CA ARG A 26 -13.836 0.680 -3.152 1.00 0.00 C ATOM 357 C ARG A 26 -12.510 -0.040 -2.897 1.00 0.00 C ATOM 358 O ARG A 26 -12.478 -1.072 -2.230 1.00 0.00 O ATOM 359 CB ARG A 26 -14.353 0.306 -4.542 1.00 0.00 C ATOM 360 CG ARG A 26 -15.880 0.389 -4.600 1.00 0.00 C ATOM 361 CD ARG A 26 -16.495 -0.989 -4.849 1.00 0.00 C ATOM 362 NE ARG A 26 -17.659 -0.868 -5.755 1.00 0.00 N ATOM 363 CZ ARG A 26 -18.903 -0.586 -5.346 1.00 0.00 C ATOM 364 NH1 ARG A 26 -19.153 -0.395 -4.044 1.00 0.00 N ATOM 365 NH2 ARG A 26 -19.898 -0.495 -6.239 1.00 0.00 N ATOM 0 H ARG A 26 -13.836 2.643 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.570 0.370 -2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.920 0.974 -5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.030 -0.704 -4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -16.261 0.798 -3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.181 1.074 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.751 -1.655 -5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.804 -1.434 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.504 -1.008 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.396 -0.464 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -20.100 -0.180 -3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.708 -0.641 -7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.845 -0.280 -5.927 1.00 0.00 H new ATOM 379 N LEU A 27 -11.448 0.534 -3.443 1.00 0.00 N ATOM 380 CA LEU A 27 -10.123 -0.040 -3.283 1.00 0.00 C ATOM 381 C LEU A 27 -9.840 -0.255 -1.795 1.00 0.00 C ATOM 382 O LEU A 27 -9.649 -1.387 -1.353 1.00 0.00 O ATOM 383 CB LEU A 27 -9.076 0.825 -3.989 1.00 0.00 C ATOM 384 CG LEU A 27 -9.138 0.839 -5.517 1.00 0.00 C ATOM 385 CD1 LEU A 27 -7.806 1.296 -6.116 1.00 0.00 C ATOM 386 CD2 LEU A 27 -9.574 -0.523 -6.061 1.00 0.00 C ATOM 0 H LEU A 27 -11.478 1.390 -3.996 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.072 -1.018 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.179 1.850 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.086 0.481 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.893 1.564 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.877 1.297 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.576 2.303 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.014 0.614 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.610 -0.485 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.861 -1.285 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.563 -0.770 -5.674 1.00 0.00 H new ATOM 398 N ALA A 28 -9.824 0.850 -1.063 1.00 0.00 N ATOM 399 CA ALA A 28 -9.569 0.796 0.367 1.00 0.00 C ATOM 400 C ALA A 28 -10.534 -0.197 1.016 1.00 0.00 C ATOM 401 O ALA A 28 -10.221 -0.788 2.048 1.00 0.00 O ATOM 402 CB ALA A 28 -9.690 2.201 0.960 1.00 0.00 C ATOM 0 H ALA A 28 -9.983 1.787 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.556 0.446 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.499 2.161 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.962 2.860 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.695 2.585 0.785 1.00 0.00 H new ATOM 408 N GLN A 29 -11.689 -0.349 0.385 1.00 0.00 N ATOM 409 CA GLN A 29 -12.703 -1.260 0.889 1.00 0.00 C ATOM 410 C GLN A 29 -12.338 -2.705 0.541 1.00 0.00 C ATOM 411 O GLN A 29 -12.630 -3.624 1.305 1.00 0.00 O ATOM 412 CB GLN A 29 -14.086 -0.898 0.343 1.00 0.00 C ATOM 413 CG GLN A 29 -15.063 -2.064 0.507 1.00 0.00 C ATOM 414 CD GLN A 29 -16.446 -1.565 0.929 1.00 0.00 C ATOM 415 OE1 GLN A 29 -16.600 -0.806 1.873 1.00 0.00 O ATOM 416 NE2 GLN A 29 -17.441 -2.031 0.180 1.00 0.00 N ATOM 0 H GLN A 29 -11.945 0.143 -0.471 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.741 -1.166 1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.469 -0.022 0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -14.006 -0.631 -0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.141 -2.612 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.681 -2.761 1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.243 -2.663 -0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.403 -1.756 0.381 1.00 0.00 H new ATOM 425 N MET A 30 -11.704 -2.861 -0.612 1.00 0.00 N ATOM 426 CA MET A 30 -11.296 -4.178 -1.069 1.00 0.00 C ATOM 427 C MET A 30 -9.956 -4.583 -0.451 1.00 0.00 C ATOM 428 O MET A 30 -9.766 -5.738 -0.074 1.00 0.00 O ATOM 429 CB MET A 30 -11.173 -4.174 -2.595 1.00 0.00 C ATOM 430 CG MET A 30 -12.547 -4.039 -3.254 1.00 0.00 C ATOM 431 SD MET A 30 -12.458 -4.554 -4.961 1.00 0.00 S ATOM 432 CE MET A 30 -13.872 -3.688 -5.621 1.00 0.00 C ATOM 0 H MET A 30 -11.463 -2.097 -1.243 1.00 0.00 H new ATOM 0 HA MET A 30 -12.051 -4.899 -0.758 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.532 -3.351 -2.910 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.695 -5.095 -2.928 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.277 -4.647 -2.720 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.888 -3.005 -3.195 1.00 0.00 H new ATOM 0 HE1 MET A 30 -14.256 -4.226 -6.488 1.00 0.00 H new ATOM 0 HE2 MET A 30 -14.649 -3.626 -4.859 1.00 0.00 H new ATOM 0 HE3 MET A 30 -13.576 -2.682 -5.920 1.00 0.00 H new ATOM 442 N ILE A 31 -9.062 -3.609 -0.366 1.00 0.00 N ATOM 443 CA ILE A 31 -7.745 -3.849 0.201 1.00 0.00 C ATOM 444 C ILE A 31 -7.898 -4.428 1.608 1.00 0.00 C ATOM 445 O ILE A 31 -7.445 -5.539 1.879 1.00 0.00 O ATOM 446 CB ILE A 31 -6.899 -2.575 0.148 1.00 0.00 C ATOM 447 CG1 ILE A 31 -6.304 -2.369 -1.246 1.00 0.00 C ATOM 448 CG2 ILE A 31 -5.822 -2.588 1.235 1.00 0.00 C ATOM 449 CD1 ILE A 31 -6.533 -0.936 -1.733 1.00 0.00 C ATOM 0 H ILE A 31 -9.223 -2.652 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.204 -4.588 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.550 -1.724 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.236 -2.583 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.756 -3.072 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.234 -1.672 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.295 -2.653 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.168 -3.448 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.100 -0.816 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.603 -0.733 -1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.059 -0.237 -1.044 1.00 0.00 H new ATOM 461 N SER A 32 -8.540 -3.650 2.468 1.00 0.00 N ATOM 462 CA SER A 32 -8.758 -4.072 3.841 1.00 0.00 C ATOM 463 C SER A 32 -9.140 -5.553 3.878 1.00 0.00 C ATOM 464 O SER A 32 -8.458 -6.357 4.510 1.00 0.00 O ATOM 465 CB SER A 32 -9.844 -3.226 4.510 1.00 0.00 C ATOM 466 OG SER A 32 -10.142 -3.686 5.826 1.00 0.00 O ATOM 0 H SER A 32 -8.916 -2.730 2.240 1.00 0.00 H new ATOM 0 HA SER A 32 -7.831 -3.929 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.519 -2.187 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.749 -3.251 3.903 1.00 0.00 H new ATOM 0 HG SER A 32 -10.838 -3.120 6.221 1.00 0.00 H new ATOM 472 N ASP A 33 -10.230 -5.868 3.194 1.00 0.00 N ATOM 473 CA ASP A 33 -10.711 -7.238 3.141 1.00 0.00 C ATOM 474 C ASP A 33 -9.553 -8.166 2.769 1.00 0.00 C ATOM 475 O ASP A 33 -9.218 -9.080 3.522 1.00 0.00 O ATOM 476 CB ASP A 33 -11.804 -7.398 2.083 1.00 0.00 C ATOM 477 CG ASP A 33 -13.042 -8.170 2.543 1.00 0.00 C ATOM 478 OD1 ASP A 33 -13.189 -8.325 3.775 1.00 0.00 O ATOM 479 OD2 ASP A 33 -13.813 -8.589 1.653 1.00 0.00 O ATOM 0 H ASP A 33 -10.794 -5.198 2.672 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.118 -7.491 4.120 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.115 -6.407 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.379 -7.906 1.217 1.00 0.00 H new ATOM 484 N HIS A 34 -8.973 -7.900 1.608 1.00 0.00 N ATOM 485 CA HIS A 34 -7.860 -8.700 1.127 1.00 0.00 C ATOM 486 C HIS A 34 -6.858 -8.920 2.262 1.00 0.00 C ATOM 487 O HIS A 34 -6.554 -10.059 2.614 1.00 0.00 O ATOM 488 CB HIS A 34 -7.225 -8.060 -0.109 1.00 0.00 C ATOM 489 CG HIS A 34 -7.696 -8.649 -1.417 1.00 0.00 C ATOM 490 ND1 HIS A 34 -7.084 -9.739 -2.012 1.00 0.00 N ATOM 491 CD2 HIS A 34 -8.725 -8.290 -2.237 1.00 0.00 C ATOM 492 CE1 HIS A 34 -7.725 -10.014 -3.139 1.00 0.00 C ATOM 493 NE2 HIS A 34 -8.741 -9.115 -3.277 1.00 0.00 N ATOM 0 H HIS A 34 -9.253 -7.141 0.986 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.221 -9.679 0.812 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.442 -6.992 -0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.142 -8.165 -0.044 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.411 -7.473 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.485 -10.811 -3.828 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -9.404 -9.082 -4.052 1.00 0.00 H new ATOM 501 N ASN A 35 -6.372 -7.813 2.802 1.00 0.00 N ATOM 502 CA ASN A 35 -5.410 -7.870 3.890 1.00 0.00 C ATOM 503 C ASN A 35 -5.896 -8.869 4.942 1.00 0.00 C ATOM 504 O ASN A 35 -7.037 -9.324 4.890 1.00 0.00 O ATOM 505 CB ASN A 35 -5.261 -6.506 4.566 1.00 0.00 C ATOM 506 CG ASN A 35 -4.984 -5.410 3.535 1.00 0.00 C ATOM 507 OD1 ASN A 35 -5.756 -4.483 3.353 1.00 0.00 O ATOM 508 ND2 ASN A 35 -3.842 -5.567 2.873 1.00 0.00 N ATOM 0 H ASN A 35 -6.626 -6.870 2.507 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.449 -8.173 3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.170 -6.269 5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.448 -6.542 5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.566 -4.888 2.163 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.241 -6.366 3.075 1.00 0.00 H new ATOM 515 N ASP A 36 -5.005 -9.180 5.872 1.00 0.00 N ATOM 516 CA ASP A 36 -5.329 -10.117 6.935 1.00 0.00 C ATOM 517 C ASP A 36 -5.341 -9.377 8.274 1.00 0.00 C ATOM 518 O ASP A 36 -5.137 -8.165 8.320 1.00 0.00 O ATOM 519 CB ASP A 36 -4.287 -11.233 7.021 1.00 0.00 C ATOM 520 CG ASP A 36 -4.773 -12.609 6.560 1.00 0.00 C ATOM 521 OD1 ASP A 36 -4.698 -12.857 5.338 1.00 0.00 O ATOM 522 OD2 ASP A 36 -5.209 -13.381 7.441 1.00 0.00 O ATOM 0 H ASP A 36 -4.059 -8.800 5.912 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.305 -10.551 6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.423 -10.950 6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.946 -11.312 8.053 1.00 0.00 H new ATOM 527 N ALA A 37 -5.583 -10.138 9.332 1.00 0.00 N ATOM 528 CA ALA A 37 -5.624 -9.570 10.668 1.00 0.00 C ATOM 529 C ALA A 37 -4.303 -8.853 10.955 1.00 0.00 C ATOM 530 O ALA A 37 -4.298 -7.740 11.478 1.00 0.00 O ATOM 531 CB ALA A 37 -5.920 -10.675 11.684 1.00 0.00 C ATOM 0 H ALA A 37 -5.753 -11.143 9.290 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.423 -8.832 10.746 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.951 -10.249 12.687 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.883 -11.132 11.454 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.138 -11.433 11.636 1.00 0.00 H new ATOM 537 N ASP A 38 -3.216 -9.520 10.599 1.00 0.00 N ATOM 538 CA ASP A 38 -1.892 -8.961 10.811 1.00 0.00 C ATOM 539 C ASP A 38 -1.901 -7.480 10.425 1.00 0.00 C ATOM 540 O ASP A 38 -1.607 -6.618 11.252 1.00 0.00 O ATOM 541 CB ASP A 38 -0.849 -9.669 9.943 1.00 0.00 C ATOM 542 CG ASP A 38 -0.770 -11.184 10.135 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.258 -11.596 11.199 1.00 0.00 O ATOM 544 OD2 ASP A 38 -1.223 -11.897 9.213 1.00 0.00 O ATOM 0 H ASP A 38 -3.225 -10.443 10.165 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.635 -9.092 11.862 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.068 -9.461 8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.130 -9.239 10.155 1.00 0.00 H new ATOM 549 N PHE A 39 -2.241 -7.230 9.169 1.00 0.00 N ATOM 550 CA PHE A 39 -2.292 -5.869 8.664 1.00 0.00 C ATOM 551 C PHE A 39 -3.269 -5.018 9.479 1.00 0.00 C ATOM 552 O PHE A 39 -2.968 -3.876 9.820 1.00 0.00 O ATOM 553 CB PHE A 39 -2.785 -5.946 7.218 1.00 0.00 C ATOM 554 CG PHE A 39 -2.926 -4.585 6.535 1.00 0.00 C ATOM 555 CD1 PHE A 39 -1.866 -4.041 5.878 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.110 -3.918 6.584 1.00 0.00 C ATOM 557 CE1 PHE A 39 -1.997 -2.777 5.243 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.241 -2.655 5.950 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.181 -2.111 5.293 1.00 0.00 C ATOM 0 H PHE A 39 -2.484 -7.948 8.486 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.306 -5.409 8.733 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.093 -6.560 6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.751 -6.451 7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.925 -4.570 5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.951 -4.350 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.156 -2.345 4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.182 -2.126 5.989 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.280 -1.150 4.811 1.00 0.00 H new ATOM 569 N GLU A 40 -4.420 -5.609 9.766 1.00 0.00 N ATOM 570 CA GLU A 40 -5.443 -4.919 10.534 1.00 0.00 C ATOM 571 C GLU A 40 -4.845 -4.344 11.819 1.00 0.00 C ATOM 572 O GLU A 40 -4.901 -3.136 12.047 1.00 0.00 O ATOM 573 CB GLU A 40 -6.616 -5.851 10.844 1.00 0.00 C ATOM 574 CG GLU A 40 -7.660 -5.810 9.727 1.00 0.00 C ATOM 575 CD GLU A 40 -8.925 -6.570 10.130 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.332 -6.415 11.301 1.00 0.00 O ATOM 577 OE2 GLU A 40 -9.457 -7.290 9.257 1.00 0.00 O ATOM 0 H GLU A 40 -4.667 -6.557 9.481 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.826 -4.093 9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.252 -6.871 10.969 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.077 -5.560 11.788 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.911 -4.775 9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.243 -6.246 8.819 1.00 0.00 H new ATOM 584 N GLU A 41 -4.286 -5.235 12.624 1.00 0.00 N ATOM 585 CA GLU A 41 -3.678 -4.830 13.881 1.00 0.00 C ATOM 586 C GLU A 41 -2.654 -3.719 13.641 1.00 0.00 C ATOM 587 O GLU A 41 -2.443 -2.867 14.504 1.00 0.00 O ATOM 588 CB GLU A 41 -3.035 -6.024 14.588 1.00 0.00 C ATOM 589 CG GLU A 41 -3.757 -6.338 15.900 1.00 0.00 C ATOM 590 CD GLU A 41 -3.068 -5.653 17.082 1.00 0.00 C ATOM 591 OE1 GLU A 41 -2.074 -6.231 17.573 1.00 0.00 O ATOM 592 OE2 GLU A 41 -3.550 -4.566 17.468 1.00 0.00 O ATOM 0 H GLU A 41 -4.241 -6.236 12.431 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.461 -4.442 14.533 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.064 -6.896 13.935 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.985 -5.810 14.789 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.794 -6.007 15.837 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.776 -7.416 16.060 1.00 0.00 H new ATOM 599 N LYS A 42 -2.045 -3.762 12.465 1.00 0.00 N ATOM 600 CA LYS A 42 -1.048 -2.769 12.101 1.00 0.00 C ATOM 601 C LYS A 42 -1.745 -1.442 11.795 1.00 0.00 C ATOM 602 O LYS A 42 -1.369 -0.401 12.332 1.00 0.00 O ATOM 603 CB LYS A 42 -0.173 -3.283 10.957 1.00 0.00 C ATOM 604 CG LYS A 42 0.836 -4.317 11.460 1.00 0.00 C ATOM 605 CD LYS A 42 2.021 -4.439 10.499 1.00 0.00 C ATOM 606 CE LYS A 42 2.909 -5.628 10.872 1.00 0.00 C ATOM 607 NZ LYS A 42 4.295 -5.408 10.402 1.00 0.00 N ATOM 0 H LYS A 42 -2.223 -4.469 11.752 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.368 -2.588 12.934 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.801 -3.728 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.355 -2.449 10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.193 -4.031 12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.348 -5.286 11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.656 -4.559 9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.608 -3.521 10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.903 -5.769 11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.509 -6.541 10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.787 -6.321 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.276 -4.954 9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.797 -4.794 11.075 1.00 0.00 H new ATOM 621 N VAL A 43 -2.748 -1.522 10.933 1.00 0.00 N ATOM 622 CA VAL A 43 -3.500 -0.340 10.548 1.00 0.00 C ATOM 623 C VAL A 43 -3.869 0.454 11.803 1.00 0.00 C ATOM 624 O VAL A 43 -3.597 1.651 11.887 1.00 0.00 O ATOM 625 CB VAL A 43 -4.719 -0.744 9.716 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.609 0.466 9.424 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.293 -1.437 8.420 1.00 0.00 C ATOM 0 H VAL A 43 -3.057 -2.387 10.490 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.894 0.311 9.917 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.302 -1.456 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.468 0.151 8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.955 0.898 10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.039 1.211 8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.178 -1.714 7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.677 -0.758 7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.720 -2.333 8.658 1.00 0.00 H new ATOM 637 N LYS A 44 -4.484 -0.243 12.747 1.00 0.00 N ATOM 638 CA LYS A 44 -4.893 0.382 13.993 1.00 0.00 C ATOM 639 C LYS A 44 -3.676 1.026 14.659 1.00 0.00 C ATOM 640 O LYS A 44 -3.765 2.134 15.186 1.00 0.00 O ATOM 641 CB LYS A 44 -5.621 -0.626 14.885 1.00 0.00 C ATOM 642 CG LYS A 44 -7.106 -0.703 14.526 1.00 0.00 C ATOM 643 CD LYS A 44 -7.863 -1.596 15.512 1.00 0.00 C ATOM 644 CE LYS A 44 -9.319 -1.779 15.079 1.00 0.00 C ATOM 645 NZ LYS A 44 -10.221 -1.694 16.249 1.00 0.00 N ATOM 0 H LYS A 44 -4.709 -1.235 12.674 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.611 1.179 13.801 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.165 -1.610 14.775 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.510 -0.338 15.931 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.537 0.298 14.531 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.220 -1.094 13.515 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.374 -2.568 15.577 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.829 -1.155 16.508 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.587 -1.015 14.349 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.440 -2.745 14.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.205 -1.820 15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.975 -2.439 16.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.117 -0.763 16.700 1.00 0.00 H new ATOM 659 N GLN A 45 -2.566 0.304 14.614 1.00 0.00 N ATOM 660 CA GLN A 45 -1.332 0.791 15.207 1.00 0.00 C ATOM 661 C GLN A 45 -0.946 2.140 14.596 1.00 0.00 C ATOM 662 O GLN A 45 -0.440 3.019 15.293 1.00 0.00 O ATOM 663 CB GLN A 45 -0.204 -0.229 15.041 1.00 0.00 C ATOM 664 CG GLN A 45 0.079 -0.954 16.358 1.00 0.00 C ATOM 665 CD GLN A 45 1.452 -0.570 16.912 1.00 0.00 C ATOM 666 OE1 GLN A 45 1.590 0.307 17.750 1.00 0.00 O ATOM 667 NE2 GLN A 45 2.458 -1.273 16.399 1.00 0.00 N ATOM 0 H GLN A 45 -2.495 -0.614 14.176 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.496 0.931 16.275 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.475 -0.954 14.274 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.699 0.275 14.698 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.693 -0.706 17.087 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.035 -2.032 16.201 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.273 -1.993 15.701 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.414 -1.092 16.704 1.00 0.00 H new ATOM 676 N LEU A 46 -1.199 2.261 13.301 1.00 0.00 N ATOM 677 CA LEU A 46 -0.884 3.488 12.589 1.00 0.00 C ATOM 678 C LEU A 46 -1.735 4.630 13.148 1.00 0.00 C ATOM 679 O LEU A 46 -1.235 5.734 13.362 1.00 0.00 O ATOM 680 CB LEU A 46 -1.040 3.287 11.080 1.00 0.00 C ATOM 681 CG LEU A 46 0.192 2.759 10.343 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.129 2.471 8.875 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.374 3.718 10.493 1.00 0.00 C ATOM 0 H LEU A 46 -1.618 1.530 12.727 1.00 0.00 H new ATOM 0 HA LEU A 46 0.160 3.761 12.745 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.865 2.596 10.909 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.325 4.240 10.634 1.00 0.00 H new ATOM 0 HG LEU A 46 0.484 1.814 10.801 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.764 2.097 8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.919 1.723 8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.461 3.388 8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.237 3.319 9.960 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.109 4.690 10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.620 3.830 11.549 1.00 0.00 H new ATOM 695 N ILE A 47 -3.005 4.326 13.370 1.00 0.00 N ATOM 696 CA ILE A 47 -3.929 5.313 13.900 1.00 0.00 C ATOM 697 C ILE A 47 -3.468 5.739 15.295 1.00 0.00 C ATOM 698 O ILE A 47 -3.198 6.916 15.531 1.00 0.00 O ATOM 699 CB ILE A 47 -5.363 4.779 13.863 1.00 0.00 C ATOM 700 CG1 ILE A 47 -5.989 4.987 12.482 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.209 5.401 14.976 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.335 4.267 12.377 1.00 0.00 C ATOM 0 H ILE A 47 -3.416 3.409 13.192 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.930 6.207 13.277 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.333 3.705 14.045 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.127 6.052 12.298 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.313 4.615 11.712 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.223 5.004 14.927 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.771 5.159 15.944 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.236 6.483 14.851 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.759 4.431 11.386 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.190 3.199 12.538 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.017 4.658 13.132 1.00 0.00 H new ATOM 714 N ASP A 48 -3.393 4.760 16.184 1.00 0.00 N ATOM 715 CA ASP A 48 -2.969 5.018 17.550 1.00 0.00 C ATOM 716 C ASP A 48 -1.629 5.756 17.532 1.00 0.00 C ATOM 717 O ASP A 48 -1.416 6.684 18.311 1.00 0.00 O ATOM 718 CB ASP A 48 -2.781 3.713 18.325 1.00 0.00 C ATOM 719 CG ASP A 48 -3.806 3.465 19.433 1.00 0.00 C ATOM 720 OD1 ASP A 48 -3.927 4.355 20.303 1.00 0.00 O ATOM 721 OD2 ASP A 48 -4.444 2.392 19.386 1.00 0.00 O ATOM 0 H ASP A 48 -3.619 3.785 15.985 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.740 5.616 18.035 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.821 2.881 17.621 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.784 3.710 18.766 1.00 0.00 H new ATOM 726 N ILE A 49 -0.759 5.315 16.635 1.00 0.00 N ATOM 727 CA ILE A 49 0.555 5.922 16.505 1.00 0.00 C ATOM 728 C ILE A 49 0.400 7.368 16.032 1.00 0.00 C ATOM 729 O ILE A 49 0.655 8.304 16.790 1.00 0.00 O ATOM 730 CB ILE A 49 1.451 5.072 15.602 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.857 3.772 16.298 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.665 5.871 15.126 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.202 2.687 15.277 1.00 0.00 C ATOM 0 H ILE A 49 -0.938 4.544 15.991 1.00 0.00 H new ATOM 0 HA ILE A 49 1.056 5.955 17.472 1.00 0.00 H new ATOM 0 HB ILE A 49 0.879 4.797 14.716 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.716 3.954 16.944 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.044 3.429 16.938 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.285 5.244 14.486 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.329 6.743 14.564 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.247 6.197 15.988 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.487 1.774 15.799 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.334 2.490 14.648 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.031 3.023 14.655 1.00 0.00 H new ATOM 745 N THR A 50 -0.018 7.507 14.783 1.00 0.00 N ATOM 746 CA THR A 50 -0.210 8.824 14.200 1.00 0.00 C ATOM 747 C THR A 50 -1.611 9.350 14.520 1.00 0.00 C ATOM 748 O THR A 50 -1.762 10.295 15.294 1.00 0.00 O ATOM 749 CB THR A 50 0.072 8.723 12.700 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.010 7.947 12.194 1.00 0.00 O ATOM 751 CG2 THR A 50 1.311 7.880 12.393 1.00 0.00 C ATOM 0 H THR A 50 -0.229 6.729 14.158 1.00 0.00 H new ATOM 0 HA THR A 50 0.482 9.550 14.628 1.00 0.00 H new ATOM 0 HB THR A 50 0.202 9.723 12.287 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.867 7.003 12.415 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.466 7.840 11.315 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.183 8.328 12.869 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.168 6.870 12.776 1.00 0.00 H new ATOM 759 N GLY A 51 -2.601 8.715 13.910 1.00 0.00 N ATOM 760 CA GLY A 51 -3.984 9.107 14.120 1.00 0.00 C ATOM 761 C GLY A 51 -4.585 9.704 12.846 1.00 0.00 C ATOM 762 O GLY A 51 -5.541 10.474 12.908 1.00 0.00 O ATOM 0 H GLY A 51 -2.473 7.931 13.270 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.568 8.241 14.430 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.040 9.836 14.929 1.00 0.00 H new ATOM 766 N LYS A 52 -3.999 9.324 11.720 1.00 0.00 N ATOM 767 CA LYS A 52 -4.464 9.812 10.433 1.00 0.00 C ATOM 768 C LYS A 52 -5.719 9.039 10.022 1.00 0.00 C ATOM 769 O LYS A 52 -6.193 8.179 10.764 1.00 0.00 O ATOM 770 CB LYS A 52 -3.339 9.752 9.398 1.00 0.00 C ATOM 771 CG LYS A 52 -2.121 10.551 9.865 1.00 0.00 C ATOM 772 CD LYS A 52 -2.345 12.053 9.675 1.00 0.00 C ATOM 773 CE LYS A 52 -1.072 12.737 9.172 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.404 13.780 8.175 1.00 0.00 N ATOM 0 H LYS A 52 -3.206 8.684 11.672 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.745 10.863 10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.053 8.714 9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.694 10.147 8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.924 10.339 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.240 10.237 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.155 12.217 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.654 12.501 10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.537 13.184 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.407 11.998 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.529 14.235 7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.895 13.345 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.021 14.494 8.612 1.00 0.00 H new ATOM 788 N ASN A 53 -6.221 9.371 8.842 1.00 0.00 N ATOM 789 CA ASN A 53 -7.411 8.719 8.324 1.00 0.00 C ATOM 790 C ASN A 53 -7.133 7.224 8.148 1.00 0.00 C ATOM 791 O ASN A 53 -6.243 6.840 7.391 1.00 0.00 O ATOM 792 CB ASN A 53 -7.804 9.290 6.960 1.00 0.00 C ATOM 793 CG ASN A 53 -8.228 10.755 7.082 1.00 0.00 C ATOM 794 OD1 ASN A 53 -7.414 11.658 7.182 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.545 10.939 7.066 1.00 0.00 N ATOM 0 H ASN A 53 -5.825 10.084 8.229 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.222 8.887 9.032 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.964 9.207 6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.621 8.705 6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.929 11.881 7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.171 10.138 6.980 1.00 0.00 H new ATOM 802 N GLN A 54 -7.910 6.422 8.861 1.00 0.00 N ATOM 803 CA GLN A 54 -7.758 4.979 8.793 1.00 0.00 C ATOM 804 C GLN A 54 -7.479 4.542 7.354 1.00 0.00 C ATOM 805 O GLN A 54 -6.457 3.915 7.079 1.00 0.00 O ATOM 806 CB GLN A 54 -8.995 4.271 9.351 1.00 0.00 C ATOM 807 CG GLN A 54 -8.664 2.835 9.763 1.00 0.00 C ATOM 808 CD GLN A 54 -9.664 2.319 10.801 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.160 3.051 11.640 1.00 0.00 O ATOM 810 NE2 GLN A 54 -9.930 1.020 10.696 1.00 0.00 N ATOM 0 H GLN A 54 -8.647 6.744 9.489 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.906 4.693 9.410 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.377 4.821 10.211 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.785 4.265 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.679 2.188 8.886 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.655 2.794 10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.479 0.464 9.969 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.585 0.580 11.342 1.00 0.00 H new ATOM 819 N ASP A 55 -8.406 4.889 6.473 1.00 0.00 N ATOM 820 CA ASP A 55 -8.272 4.540 5.069 1.00 0.00 C ATOM 821 C ASP A 55 -6.858 4.883 4.595 1.00 0.00 C ATOM 822 O ASP A 55 -6.154 4.026 4.064 1.00 0.00 O ATOM 823 CB ASP A 55 -9.263 5.328 4.209 1.00 0.00 C ATOM 824 CG ASP A 55 -10.614 4.646 3.990 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.067 3.967 4.937 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.164 4.819 2.881 1.00 0.00 O ATOM 0 H ASP A 55 -9.253 5.408 6.704 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.473 3.474 4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.434 6.298 4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.807 5.518 3.237 1.00 0.00 H new ATOM 831 N GLU A 56 -6.486 6.137 4.805 1.00 0.00 N ATOM 832 CA GLU A 56 -5.168 6.602 4.406 1.00 0.00 C ATOM 833 C GLU A 56 -4.085 5.691 4.986 1.00 0.00 C ATOM 834 O GLU A 56 -3.132 5.335 4.294 1.00 0.00 O ATOM 835 CB GLU A 56 -4.949 8.056 4.831 1.00 0.00 C ATOM 836 CG GLU A 56 -5.778 9.010 3.970 1.00 0.00 C ATOM 837 CD GLU A 56 -4.968 9.513 2.773 1.00 0.00 C ATOM 838 OE1 GLU A 56 -3.975 10.231 3.022 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.360 9.168 1.638 1.00 0.00 O ATOM 0 H GLU A 56 -7.073 6.845 5.246 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.103 6.562 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.221 8.177 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.892 8.308 4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.676 8.501 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.107 9.857 4.573 1.00 0.00 H new ATOM 846 N CYS A 57 -4.267 5.341 6.251 1.00 0.00 N ATOM 847 CA CYS A 57 -3.316 4.478 6.932 1.00 0.00 C ATOM 848 C CYS A 57 -3.206 3.170 6.146 1.00 0.00 C ATOM 849 O CYS A 57 -2.107 2.750 5.784 1.00 0.00 O ATOM 850 CB CYS A 57 -3.715 4.236 8.389 1.00 0.00 C ATOM 851 SG CYS A 57 -3.638 5.805 9.328 1.00 0.00 S ATOM 0 H CYS A 57 -5.058 5.639 6.822 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.341 4.963 6.967 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.723 3.824 8.435 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.049 3.500 8.840 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.554 6.618 8.891 1.00 0.00 H new ATOM 857 N VAL A 58 -4.358 2.562 5.905 1.00 0.00 N ATOM 858 CA VAL A 58 -4.404 1.311 5.169 1.00 0.00 C ATOM 859 C VAL A 58 -3.614 1.460 3.867 1.00 0.00 C ATOM 860 O VAL A 58 -2.832 0.582 3.507 1.00 0.00 O ATOM 861 CB VAL A 58 -5.858 0.891 4.941 1.00 0.00 C ATOM 862 CG1 VAL A 58 -5.940 -0.310 3.996 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.557 0.593 6.269 1.00 0.00 C ATOM 0 H VAL A 58 -5.267 2.913 6.207 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.935 0.513 5.744 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.378 1.725 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.984 -0.588 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.497 -0.048 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.397 -1.151 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.589 0.297 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.036 -0.216 6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.545 1.485 6.895 1.00 0.00 H new ATOM 873 N ILE A 59 -3.847 2.579 3.197 1.00 0.00 N ATOM 874 CA ILE A 59 -3.166 2.855 1.943 1.00 0.00 C ATOM 875 C ILE A 59 -1.654 2.813 2.168 1.00 0.00 C ATOM 876 O ILE A 59 -0.960 1.973 1.598 1.00 0.00 O ATOM 877 CB ILE A 59 -3.663 4.172 1.342 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.138 4.074 0.951 1.00 0.00 C ATOM 879 CG2 ILE A 59 -2.785 4.604 0.166 1.00 0.00 C ATOM 880 CD1 ILE A 59 -5.865 5.395 1.215 1.00 0.00 C ATOM 0 H ILE A 59 -4.497 3.305 3.498 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.399 2.087 1.206 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.583 4.947 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.222 3.813 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.615 3.273 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.160 5.542 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.760 4.742 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.809 3.836 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.912 5.298 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.800 5.640 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.401 6.189 0.630 1.00 0.00 H new ATOM 892 N ALA A 60 -1.186 3.732 3.001 1.00 0.00 N ATOM 893 CA ALA A 60 0.232 3.810 3.309 1.00 0.00 C ATOM 894 C ALA A 60 0.750 2.416 3.666 1.00 0.00 C ATOM 895 O ALA A 60 1.592 1.863 2.960 1.00 0.00 O ATOM 896 CB ALA A 60 0.454 4.821 4.436 1.00 0.00 C ATOM 0 H ALA A 60 -1.764 4.428 3.472 1.00 0.00 H new ATOM 0 HA ALA A 60 0.794 4.158 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.517 4.880 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.096 5.801 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.093 4.503 5.323 1.00 0.00 H new ATOM 902 N LEU A 61 0.225 1.887 4.762 1.00 0.00 N ATOM 903 CA LEU A 61 0.624 0.567 5.221 1.00 0.00 C ATOM 904 C LEU A 61 0.652 -0.395 4.031 1.00 0.00 C ATOM 905 O LEU A 61 1.696 -0.959 3.709 1.00 0.00 O ATOM 906 CB LEU A 61 -0.278 0.103 6.366 1.00 0.00 C ATOM 907 CG LEU A 61 0.267 -1.036 7.230 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.550 -0.614 7.948 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.797 -1.542 8.206 1.00 0.00 C ATOM 0 H LEU A 61 -0.473 2.349 5.345 1.00 0.00 H new ATOM 0 HA LEU A 61 1.633 0.595 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.480 0.957 7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.233 -0.212 5.945 1.00 0.00 H new ATOM 0 HG LEU A 61 0.524 -1.868 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.916 -1.442 8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.306 -0.342 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.343 0.243 8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.383 -2.351 8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.109 -0.727 8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.658 -1.909 7.647 1.00 0.00 H new ATOM 921 N HIS A 62 -0.508 -0.553 3.411 1.00 0.00 N ATOM 922 CA HIS A 62 -0.630 -1.437 2.265 1.00 0.00 C ATOM 923 C HIS A 62 0.486 -1.135 1.263 1.00 0.00 C ATOM 924 O HIS A 62 1.208 -2.037 0.841 1.00 0.00 O ATOM 925 CB HIS A 62 -2.025 -1.335 1.646 1.00 0.00 C ATOM 926 CG HIS A 62 -2.144 -1.985 0.288 1.00 0.00 C ATOM 927 ND1 HIS A 62 -2.885 -3.133 0.068 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.609 -1.635 -0.917 1.00 0.00 C ATOM 929 CE1 HIS A 62 -2.792 -3.451 -1.215 1.00 0.00 C ATOM 930 NE2 HIS A 62 -2.000 -2.522 -1.824 1.00 0.00 N ATOM 0 H HIS A 62 -1.372 -0.083 3.681 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.513 -2.472 2.586 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.746 -1.795 2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.296 -0.283 1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.975 -0.781 -1.102 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.261 -4.297 -1.695 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.750 -2.511 -2.813 1.00 0.00 H new ATOM 938 N ASP A 63 0.593 0.138 0.911 1.00 0.00 N ATOM 939 CA ASP A 63 1.609 0.571 -0.033 1.00 0.00 C ATOM 940 C ASP A 63 2.987 0.136 0.472 1.00 0.00 C ATOM 941 O ASP A 63 3.762 -0.466 -0.269 1.00 0.00 O ATOM 942 CB ASP A 63 1.617 2.094 -0.176 1.00 0.00 C ATOM 943 CG ASP A 63 2.225 2.619 -1.477 1.00 0.00 C ATOM 944 OD1 ASP A 63 2.027 1.943 -2.510 1.00 0.00 O ATOM 945 OD2 ASP A 63 2.875 3.685 -1.411 1.00 0.00 O ATOM 0 H ASP A 63 -0.008 0.884 1.263 1.00 0.00 H new ATOM 0 HA ASP A 63 1.384 0.120 -1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.592 2.456 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.168 2.519 0.662 1.00 0.00 H new ATOM 950 N CYS A 64 3.249 0.460 1.730 1.00 0.00 N ATOM 951 CA CYS A 64 4.520 0.110 2.343 1.00 0.00 C ATOM 952 C CYS A 64 4.635 -1.415 2.374 1.00 0.00 C ATOM 953 O CYS A 64 5.733 -1.956 2.494 1.00 0.00 O ATOM 954 CB CYS A 64 4.662 0.722 3.738 1.00 0.00 C ATOM 955 SG CYS A 64 4.320 2.519 3.671 1.00 0.00 S ATOM 0 H CYS A 64 2.604 0.961 2.341 1.00 0.00 H new ATOM 0 HA CYS A 64 5.338 0.522 1.752 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.972 0.238 4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.668 0.549 4.119 1.00 0.00 H new ATOM 0 HG CYS A 64 3.129 2.716 3.188 1.00 0.00 H new ATOM 961 N ASN A 65 3.486 -2.066 2.264 1.00 0.00 N ATOM 962 CA ASN A 65 3.444 -3.518 2.278 1.00 0.00 C ATOM 963 C ASN A 65 3.487 -4.011 3.726 1.00 0.00 C ATOM 964 O ASN A 65 4.392 -4.753 4.106 1.00 0.00 O ATOM 965 CB ASN A 65 4.647 -4.111 1.540 1.00 0.00 C ATOM 966 CG ASN A 65 4.346 -5.530 1.054 1.00 0.00 C ATOM 967 OD1 ASN A 65 3.212 -5.900 0.800 1.00 0.00 O ATOM 968 ND2 ASN A 65 5.423 -6.301 0.938 1.00 0.00 N ATOM 0 H ASN A 65 2.577 -1.614 2.165 1.00 0.00 H new ATOM 0 HA ASN A 65 2.526 -3.834 1.783 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.905 -3.479 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.513 -4.125 2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.328 -7.265 0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.344 -5.928 1.167 1.00 0.00 H new ATOM 975 N GLY A 66 2.498 -3.579 4.494 1.00 0.00 N ATOM 976 CA GLY A 66 2.412 -3.967 5.892 1.00 0.00 C ATOM 977 C GLY A 66 3.587 -3.402 6.691 1.00 0.00 C ATOM 978 O GLY A 66 4.126 -4.073 7.570 1.00 0.00 O ATOM 0 H GLY A 66 1.749 -2.964 4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.474 -3.608 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.403 -5.054 5.971 1.00 0.00 H new ATOM 982 N ASP A 67 3.950 -2.172 6.359 1.00 0.00 N ATOM 983 CA ASP A 67 5.052 -1.508 7.035 1.00 0.00 C ATOM 984 C ASP A 67 4.503 -0.366 7.894 1.00 0.00 C ATOM 985 O ASP A 67 4.167 0.698 7.377 1.00 0.00 O ATOM 986 CB ASP A 67 6.037 -0.911 6.028 1.00 0.00 C ATOM 987 CG ASP A 67 7.502 -1.287 6.256 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.918 -1.264 7.434 1.00 0.00 O ATOM 989 OD2 ASP A 67 8.173 -1.590 5.246 1.00 0.00 O ATOM 0 H ASP A 67 3.500 -1.617 5.630 1.00 0.00 H new ATOM 0 HA ASP A 67 5.567 -2.248 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.747 -1.230 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.948 0.175 6.055 1.00 0.00 H new ATOM 994 N VAL A 68 4.430 -0.627 9.191 1.00 0.00 N ATOM 995 CA VAL A 68 3.929 0.365 10.126 1.00 0.00 C ATOM 996 C VAL A 68 4.924 1.524 10.217 1.00 0.00 C ATOM 997 O VAL A 68 4.531 2.669 10.432 1.00 0.00 O ATOM 998 CB VAL A 68 3.646 -0.288 11.481 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.683 0.747 12.607 1.00 0.00 C ATOM 1000 CG2 VAL A 68 2.309 -1.032 11.463 1.00 0.00 C ATOM 0 H VAL A 68 4.709 -1.511 9.616 1.00 0.00 H new ATOM 0 HA VAL A 68 2.983 0.776 9.775 1.00 0.00 H new ATOM 0 HB VAL A 68 4.433 -1.018 11.672 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.479 0.257 13.559 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.669 1.211 12.642 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.928 1.512 12.423 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.132 -1.487 12.438 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.505 -0.331 11.239 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.336 -1.810 10.700 1.00 0.00 H new ATOM 1010 N ASN A 69 6.194 1.185 10.049 1.00 0.00 N ATOM 1011 CA ASN A 69 7.249 2.182 10.110 1.00 0.00 C ATOM 1012 C ASN A 69 7.221 3.025 8.833 1.00 0.00 C ATOM 1013 O ASN A 69 6.923 4.218 8.879 1.00 0.00 O ATOM 1014 CB ASN A 69 8.626 1.523 10.211 1.00 0.00 C ATOM 1015 CG ASN A 69 8.551 0.217 11.006 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.906 -0.742 10.615 1.00 0.00 O ATOM 1017 ND2 ASN A 69 9.245 0.235 12.140 1.00 0.00 N ATOM 0 H ASN A 69 6.516 0.234 9.871 1.00 0.00 H new ATOM 0 HA ASN A 69 7.080 2.799 10.993 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.012 1.323 9.211 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.326 2.206 10.692 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.259 -0.588 12.742 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.763 1.072 12.408 1.00 0.00 H new ATOM 1024 N ARG A 70 7.536 2.373 7.724 1.00 0.00 N ATOM 1025 CA ARG A 70 7.551 3.047 6.437 1.00 0.00 C ATOM 1026 C ARG A 70 6.269 3.863 6.251 1.00 0.00 C ATOM 1027 O ARG A 70 6.302 4.956 5.688 1.00 0.00 O ATOM 1028 CB ARG A 70 7.679 2.043 5.290 1.00 0.00 C ATOM 1029 CG ARG A 70 8.942 2.308 4.468 1.00 0.00 C ATOM 1030 CD ARG A 70 8.589 2.806 3.065 1.00 0.00 C ATOM 1031 NE ARG A 70 9.338 4.047 2.766 1.00 0.00 N ATOM 1032 CZ ARG A 70 9.057 4.865 1.741 1.00 0.00 C ATOM 1033 NH1 ARG A 70 8.044 4.577 0.913 1.00 0.00 N ATOM 1034 NH2 ARG A 70 9.790 5.969 1.546 1.00 0.00 N ATOM 0 H ARG A 70 7.783 1.384 7.690 1.00 0.00 H new ATOM 0 HA ARG A 70 8.415 3.711 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.707 1.030 5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.802 2.107 4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.562 3.048 4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.532 1.394 4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.828 2.040 2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.517 2.992 2.995 1.00 0.00 H new ATOM 0 HE ARG A 70 10.116 4.295 3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.487 3.736 1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.830 5.199 0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.561 6.187 2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.577 6.592 0.767 1.00 0.00 H new ATOM 1048 N ALA A 71 5.172 3.299 6.733 1.00 0.00 N ATOM 1049 CA ALA A 71 3.882 3.960 6.626 1.00 0.00 C ATOM 1050 C ALA A 71 3.924 5.278 7.402 1.00 0.00 C ATOM 1051 O ALA A 71 3.487 6.313 6.900 1.00 0.00 O ATOM 1052 CB ALA A 71 2.784 3.022 7.130 1.00 0.00 C ATOM 0 H ALA A 71 5.149 2.392 7.199 1.00 0.00 H new ATOM 0 HA ALA A 71 3.657 4.196 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.817 3.518 7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.777 2.113 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.975 2.765 8.172 1.00 0.00 H new ATOM 1058 N ILE A 72 4.454 5.198 8.614 1.00 0.00 N ATOM 1059 CA ILE A 72 4.559 6.372 9.464 1.00 0.00 C ATOM 1060 C ILE A 72 5.310 7.474 8.714 1.00 0.00 C ATOM 1061 O ILE A 72 4.925 8.641 8.769 1.00 0.00 O ATOM 1062 CB ILE A 72 5.187 6.005 10.810 1.00 0.00 C ATOM 1063 CG1 ILE A 72 4.180 5.281 11.706 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.780 7.239 11.493 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.886 4.299 12.643 1.00 0.00 C ATOM 0 H ILE A 72 4.815 4.338 9.027 1.00 0.00 H new ATOM 0 HA ILE A 72 3.569 6.763 9.697 1.00 0.00 H new ATOM 0 HB ILE A 72 6.009 5.313 10.626 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.620 6.010 12.292 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.458 4.746 11.089 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.220 6.950 12.448 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.550 7.673 10.855 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.993 7.974 11.663 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.147 3.798 13.269 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.425 3.557 12.054 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.589 4.841 13.275 1.00 0.00 H new ATOM 1077 N ASN A 73 6.370 7.065 8.032 1.00 0.00 N ATOM 1078 CA ASN A 73 7.179 8.003 7.273 1.00 0.00 C ATOM 1079 C ASN A 73 6.308 8.679 6.213 1.00 0.00 C ATOM 1080 O ASN A 73 6.434 9.880 5.975 1.00 0.00 O ATOM 1081 CB ASN A 73 8.325 7.286 6.556 1.00 0.00 C ATOM 1082 CG ASN A 73 9.671 7.626 7.199 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.359 8.555 6.809 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.008 6.822 8.204 1.00 0.00 N ATOM 0 H ASN A 73 6.687 6.096 7.989 1.00 0.00 H new ATOM 0 HA ASN A 73 7.590 8.735 7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.163 6.209 6.591 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.337 7.573 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.889 6.965 8.698 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.386 6.062 8.480 1.00 0.00 H new ATOM 1091 N VAL A 74 5.444 7.880 5.605 1.00 0.00 N ATOM 1092 CA VAL A 74 4.552 8.387 4.575 1.00 0.00 C ATOM 1093 C VAL A 74 3.441 9.211 5.230 1.00 0.00 C ATOM 1094 O VAL A 74 3.248 10.378 4.892 1.00 0.00 O ATOM 1095 CB VAL A 74 4.018 7.229 3.729 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.177 7.747 2.561 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.160 6.341 3.232 1.00 0.00 C ATOM 0 H VAL A 74 5.342 6.885 5.805 1.00 0.00 H new ATOM 0 HA VAL A 74 5.090 9.048 3.895 1.00 0.00 H new ATOM 0 HB VAL A 74 3.373 6.620 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.809 6.904 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.332 8.317 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.790 8.389 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.753 5.526 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.842 6.933 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.699 5.930 4.085 1.00 0.00 H new ATOM 1107 N LEU A 75 2.740 8.572 6.154 1.00 0.00 N ATOM 1108 CA LEU A 75 1.654 9.231 6.859 1.00 0.00 C ATOM 1109 C LEU A 75 2.141 10.580 7.391 1.00 0.00 C ATOM 1110 O LEU A 75 1.575 11.622 7.062 1.00 0.00 O ATOM 1111 CB LEU A 75 1.083 8.313 7.942 1.00 0.00 C ATOM 1112 CG LEU A 75 0.039 7.296 7.477 1.00 0.00 C ATOM 1113 CD1 LEU A 75 -0.118 6.166 8.496 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.295 7.979 7.169 1.00 0.00 C ATOM 0 H LEU A 75 2.903 7.604 6.431 1.00 0.00 H new ATOM 0 HA LEU A 75 0.827 9.436 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.909 7.771 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.636 8.934 8.718 1.00 0.00 H new ATOM 0 HG LEU A 75 0.392 6.846 6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.866 5.457 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.836 5.654 8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.436 6.580 9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.019 7.233 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.666 8.474 8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.152 8.717 6.380 1.00 0.00 H new ATOM 1126 N LEU A 76 3.186 10.518 8.203 1.00 0.00 N ATOM 1127 CA LEU A 76 3.756 11.722 8.783 1.00 0.00 C ATOM 1128 C LEU A 76 3.858 12.803 7.706 1.00 0.00 C ATOM 1129 O LEU A 76 3.388 13.923 7.899 1.00 0.00 O ATOM 1130 CB LEU A 76 5.088 11.408 9.467 1.00 0.00 C ATOM 1131 CG LEU A 76 5.000 10.635 10.785 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.384 10.164 11.237 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.296 11.465 11.861 1.00 0.00 C ATOM 0 H LEU A 76 3.653 9.652 8.473 1.00 0.00 H new ATOM 0 HA LEU A 76 3.106 12.112 9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.704 10.835 8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.608 12.348 9.654 1.00 0.00 H new ATOM 0 HG LEU A 76 4.395 9.744 10.620 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.294 9.617 12.176 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.812 9.511 10.477 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.033 11.028 11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.247 10.893 12.787 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.853 12.386 12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.286 11.708 11.530 1.00 0.00 H new ATOM 1145 N GLU A 77 4.474 12.430 6.594 1.00 0.00 N ATOM 1146 CA GLU A 77 4.643 13.354 5.485 1.00 0.00 C ATOM 1147 C GLU A 77 3.306 14.006 5.130 1.00 0.00 C ATOM 1148 O GLU A 77 3.170 15.227 5.195 1.00 0.00 O ATOM 1149 CB GLU A 77 5.249 12.648 4.271 1.00 0.00 C ATOM 1150 CG GLU A 77 6.580 13.289 3.872 1.00 0.00 C ATOM 1151 CD GLU A 77 6.790 13.219 2.358 1.00 0.00 C ATOM 1152 OE1 GLU A 77 5.775 13.343 1.638 1.00 0.00 O ATOM 1153 OE2 GLU A 77 7.960 13.044 1.954 1.00 0.00 O ATOM 0 H GLU A 77 4.862 11.500 6.437 1.00 0.00 H new ATOM 0 HA GLU A 77 5.337 14.137 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.403 11.593 4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.553 12.695 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.599 14.329 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.399 12.781 4.380 1.00 0.00 H new ATOM 1160 N GLY A 78 2.352 13.164 4.761 1.00 0.00 N ATOM 1161 CA GLY A 78 1.030 13.643 4.395 1.00 0.00 C ATOM 1162 C GLY A 78 1.091 14.510 3.135 1.00 0.00 C ATOM 1163 O GLY A 78 1.250 13.994 2.030 1.00 0.00 O ATOM 0 H GLY A 78 2.468 12.152 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.366 12.795 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.607 14.220 5.218 1.00 0.00 H new ATOM 1167 N ASN A 79 0.961 15.812 3.344 1.00 0.00 N ATOM 1168 CA ASN A 79 0.999 16.754 2.238 1.00 0.00 C ATOM 1169 C ASN A 79 2.254 16.502 1.401 1.00 0.00 C ATOM 1170 O ASN A 79 3.351 16.374 1.944 1.00 0.00 O ATOM 1171 CB ASN A 79 1.051 18.196 2.746 1.00 0.00 C ATOM 1172 CG ASN A 79 0.564 19.173 1.674 1.00 0.00 C ATOM 1173 OD1 ASN A 79 1.241 19.453 0.698 1.00 0.00 O ATOM 1174 ND2 ASN A 79 -0.645 19.675 1.909 1.00 0.00 N ATOM 0 H ASN A 79 0.829 16.237 4.262 1.00 0.00 H new ATOM 0 HA ASN A 79 0.096 16.613 1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.434 18.293 3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.072 18.447 3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.059 20.337 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.158 19.398 2.746 1.00 0.00 H new ATOM 1181 N PRO A 80 2.047 16.436 0.059 1.00 0.00 N ATOM 1182 CA PRO A 80 3.149 16.201 -0.858 1.00 0.00 C ATOM 1183 C PRO A 80 4.006 17.458 -1.018 1.00 0.00 C ATOM 1184 O PRO A 80 4.291 17.882 -2.137 1.00 0.00 O ATOM 1185 CB PRO A 80 2.493 15.761 -2.157 1.00 0.00 C ATOM 1186 CG PRO A 80 1.044 16.210 -2.065 1.00 0.00 C ATOM 1187 CD PRO A 80 0.762 16.582 -0.619 1.00 0.00 C ATOM 0 HA PRO A 80 3.840 15.439 -0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.988 16.212 -3.017 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.560 14.680 -2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.866 17.063 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.376 15.413 -2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.386 17.602 -0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.007 15.928 -0.182 1.00 0.00 H new ATOM 1195 N ASP A 81 4.395 18.019 0.118 1.00 0.00 N ATOM 1196 CA ASP A 81 5.214 19.219 0.118 1.00 0.00 C ATOM 1197 C ASP A 81 5.304 19.769 1.543 1.00 0.00 C ATOM 1198 O ASP A 81 5.264 20.981 1.747 1.00 0.00 O ATOM 1199 CB ASP A 81 4.603 20.304 -0.770 1.00 0.00 C ATOM 1200 CG ASP A 81 5.583 20.983 -1.729 1.00 0.00 C ATOM 1201 OD1 ASP A 81 6.766 20.581 -1.709 1.00 0.00 O ATOM 1202 OD2 ASP A 81 5.126 21.888 -2.460 1.00 0.00 O ATOM 0 H ASP A 81 4.158 17.664 1.045 1.00 0.00 H new ATOM 0 HA ASP A 81 6.200 18.954 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.795 19.863 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.156 21.066 -0.131 1.00 0.00 H new ATOM 1207 N THR A 82 5.424 18.852 2.491 1.00 0.00 N ATOM 1208 CA THR A 82 5.520 19.230 3.891 1.00 0.00 C ATOM 1209 C THR A 82 6.945 19.675 4.227 1.00 0.00 C ATOM 1210 O THR A 82 7.649 19.001 4.977 1.00 0.00 O ATOM 1211 CB THR A 82 5.038 18.049 4.734 1.00 0.00 C ATOM 1212 OG1 THR A 82 5.511 18.342 6.046 1.00 0.00 O ATOM 1213 CG2 THR A 82 5.743 16.741 4.368 1.00 0.00 C ATOM 0 H THR A 82 5.457 17.847 2.317 1.00 0.00 H new ATOM 0 HA THR A 82 4.884 20.087 4.113 1.00 0.00 H new ATOM 0 HB THR A 82 3.962 17.929 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.484 18.228 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.364 15.935 4.996 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.552 16.505 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.816 16.850 4.526 1.00 0.00 H new ATOM 1221 N HIS A 83 7.327 20.808 3.655 1.00 0.00 N ATOM 1222 CA HIS A 83 8.656 21.350 3.884 1.00 0.00 C ATOM 1223 C HIS A 83 8.614 22.331 5.058 1.00 0.00 C ATOM 1224 O HIS A 83 7.538 22.744 5.488 1.00 0.00 O ATOM 1225 CB HIS A 83 9.214 21.979 2.606 1.00 0.00 C ATOM 1226 CG HIS A 83 9.884 20.993 1.679 1.00 0.00 C ATOM 1227 ND1 HIS A 83 9.238 19.875 1.179 1.00 0.00 N ATOM 1228 CD2 HIS A 83 11.147 20.969 1.166 1.00 0.00 C ATOM 1229 CE1 HIS A 83 10.084 19.215 0.402 1.00 0.00 C ATOM 1230 NE2 HIS A 83 11.267 19.894 0.396 1.00 0.00 N ATOM 0 H HIS A 83 6.740 21.365 3.034 1.00 0.00 H new ATOM 0 HA HIS A 83 9.340 20.545 4.152 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.402 22.471 2.071 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.932 22.753 2.877 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.919 21.700 1.354 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.874 18.300 -0.133 1.00 0.00 H new ATOM 0 HE2 HIS A 83 12.106 19.621 -0.116 1.00 0.00 H new ATOM 1238 N SER A 84 9.798 22.676 5.542 1.00 0.00 N ATOM 1239 CA SER A 84 9.910 23.600 6.657 1.00 0.00 C ATOM 1240 C SER A 84 10.637 24.871 6.212 1.00 0.00 C ATOM 1241 O SER A 84 11.154 24.937 5.098 1.00 0.00 O ATOM 1242 CB SER A 84 10.641 22.955 7.836 1.00 0.00 C ATOM 1243 OG SER A 84 11.968 22.566 7.492 1.00 0.00 O ATOM 0 H SER A 84 10.688 22.332 5.182 1.00 0.00 H new ATOM 0 HA SER A 84 8.905 23.861 6.987 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.673 23.656 8.670 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.083 22.082 8.175 1.00 0.00 H new ATOM 0 HG SER A 84 12.402 22.160 8.271 1.00 0.00 H new ATOM 1249 N TRP A 85 10.655 25.848 7.106 1.00 0.00 N ATOM 1250 CA TRP A 85 11.310 27.113 6.820 1.00 0.00 C ATOM 1251 C TRP A 85 11.229 27.983 8.076 1.00 0.00 C ATOM 1252 O TRP A 85 10.494 27.665 9.010 1.00 0.00 O ATOM 1253 CB TRP A 85 10.696 27.783 5.589 1.00 0.00 C ATOM 1254 CG TRP A 85 11.692 28.035 4.456 1.00 0.00 C ATOM 1255 CD1 TRP A 85 12.012 27.220 3.441 1.00 0.00 C ATOM 1256 CD2 TRP A 85 12.491 29.221 4.261 1.00 0.00 C ATOM 1257 NE1 TRP A 85 12.954 27.791 2.611 1.00 0.00 N ATOM 1258 CE2 TRP A 85 13.255 29.047 3.125 1.00 0.00 C ATOM 1259 CE3 TRP A 85 12.565 30.402 5.020 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 14.148 30.013 2.646 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 13.462 31.358 4.528 1.00 0.00 C ATOM 1262 CH2 TRP A 85 14.239 31.198 3.386 1.00 0.00 C ATOM 0 H TRP A 85 10.226 25.789 8.030 1.00 0.00 H new ATOM 0 HA TRP A 85 12.360 26.955 6.573 1.00 0.00 H new ATOM 0 HB2 TRP A 85 9.886 27.158 5.214 1.00 0.00 H new ATOM 0 HB3 TRP A 85 10.253 28.733 5.888 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.586 26.239 3.292 1.00 0.00 H new ATOM 0 HE1 TRP A 85 13.356 27.369 1.774 1.00 0.00 H new ATOM 0 HE3 TRP A 85 11.977 30.559 5.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 14.735 29.853 1.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 13.557 32.285 5.074 1.00 0.00 H new ATOM 0 HH2 TRP A 85 14.909 31.984 3.071 1.00 0.00 H new ATOM 1273 N GLU A 86 11.995 29.064 8.059 1.00 0.00 N ATOM 1274 CA GLU A 86 12.019 29.981 9.186 1.00 0.00 C ATOM 1275 C GLU A 86 11.188 31.227 8.873 1.00 0.00 C ATOM 1276 O GLU A 86 11.028 31.596 7.710 1.00 0.00 O ATOM 1277 CB GLU A 86 13.455 30.359 9.555 1.00 0.00 C ATOM 1278 CG GLU A 86 13.889 29.667 10.849 1.00 0.00 C ATOM 1279 CD GLU A 86 14.791 28.467 10.553 1.00 0.00 C ATOM 1280 OE1 GLU A 86 14.363 27.623 9.737 1.00 0.00 O ATOM 1281 OE2 GLU A 86 15.888 28.421 11.150 1.00 0.00 O ATOM 0 H GLU A 86 12.603 29.325 7.283 1.00 0.00 H new ATOM 0 HA GLU A 86 11.577 29.479 10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.128 30.078 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.531 31.440 9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.418 30.376 11.485 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.009 29.338 11.402 1.00 0.00 H new ATOM 1288 N MET A 87 10.680 31.842 9.931 1.00 0.00 N ATOM 1289 CA MET A 87 9.870 33.039 9.784 1.00 0.00 C ATOM 1290 C MET A 87 8.445 32.686 9.353 1.00 0.00 C ATOM 1291 O MET A 87 8.234 32.163 8.260 1.00 0.00 O ATOM 1292 CB MET A 87 10.505 33.961 8.742 1.00 0.00 C ATOM 1293 CG MET A 87 10.085 35.415 8.968 1.00 0.00 C ATOM 1294 SD MET A 87 10.506 36.401 7.541 1.00 0.00 S ATOM 1295 CE MET A 87 10.418 38.034 8.255 1.00 0.00 C ATOM 0 H MET A 87 10.814 31.533 10.894 1.00 0.00 H new ATOM 0 HA MET A 87 9.824 33.545 10.749 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.591 33.880 8.793 1.00 0.00 H new ATOM 0 HB3 MET A 87 10.209 33.644 7.742 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.012 35.468 9.153 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.581 35.812 9.854 1.00 0.00 H new ATOM 0 HE1 MET A 87 10.655 38.777 7.494 1.00 0.00 H new ATOM 0 HE2 MET A 87 9.412 38.211 8.634 1.00 0.00 H new ATOM 0 HE3 MET A 87 11.133 38.112 9.074 1.00 0.00 H new ATOM 1305 N VAL A 88 7.502 32.986 10.235 1.00 0.00 N ATOM 1306 CA VAL A 88 6.103 32.707 9.960 1.00 0.00 C ATOM 1307 C VAL A 88 5.262 33.931 10.327 1.00 0.00 C ATOM 1308 O VAL A 88 4.424 34.372 9.541 1.00 0.00 O ATOM 1309 CB VAL A 88 5.667 31.439 10.697 1.00 0.00 C ATOM 1310 CG1 VAL A 88 5.743 31.632 12.213 1.00 0.00 C ATOM 1311 CG2 VAL A 88 4.262 31.011 10.268 1.00 0.00 C ATOM 0 H VAL A 88 7.680 33.420 11.141 1.00 0.00 H new ATOM 0 HA VAL A 88 5.953 32.516 8.897 1.00 0.00 H new ATOM 0 HB VAL A 88 6.358 30.640 10.426 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.428 30.716 12.713 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.768 31.867 12.499 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.087 32.451 12.509 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.977 30.107 10.807 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.554 31.808 10.495 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.253 30.812 9.196 1.00 0.00 H new ATOM 1321 N GLY A 89 5.514 34.446 11.522 1.00 0.00 N ATOM 1322 CA GLY A 89 4.790 35.610 12.003 1.00 0.00 C ATOM 1323 C GLY A 89 3.600 35.196 12.871 1.00 0.00 C ATOM 1324 O GLY A 89 2.833 34.309 12.497 1.00 0.00 O ATOM 0 H GLY A 89 6.210 34.078 12.171 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.461 36.247 12.579 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.439 36.200 11.156 1.00 0.00 H new ATOM 1328 N LYS A 90 3.483 35.857 14.013 1.00 0.00 N ATOM 1329 CA LYS A 90 2.399 35.569 14.937 1.00 0.00 C ATOM 1330 C LYS A 90 1.667 36.868 15.279 1.00 0.00 C ATOM 1331 O LYS A 90 2.266 37.942 15.274 1.00 0.00 O ATOM 1332 CB LYS A 90 2.925 34.818 16.162 1.00 0.00 C ATOM 1333 CG LYS A 90 3.965 35.653 16.911 1.00 0.00 C ATOM 1334 CD LYS A 90 4.861 34.764 17.778 1.00 0.00 C ATOM 1335 CE LYS A 90 6.334 35.142 17.611 1.00 0.00 C ATOM 1336 NZ LYS A 90 6.565 36.535 18.055 1.00 0.00 N ATOM 0 H LYS A 90 4.121 36.591 14.320 1.00 0.00 H new ATOM 0 HA LYS A 90 1.670 34.905 14.474 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.097 34.578 16.829 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.368 33.872 15.851 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.576 36.205 16.197 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.462 36.390 17.537 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.573 34.862 18.825 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.717 33.719 17.504 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.958 34.461 18.190 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.627 35.033 16.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.587 36.721 18.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.120 37.192 17.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.150 36.672 18.999 1.00 0.00 H new ATOM 1350 N LYS A 91 0.382 36.727 15.568 1.00 0.00 N ATOM 1351 CA LYS A 91 -0.438 37.877 15.912 1.00 0.00 C ATOM 1352 C LYS A 91 -1.833 37.398 16.322 1.00 0.00 C ATOM 1353 O LYS A 91 -2.134 36.209 16.240 1.00 0.00 O ATOM 1354 CB LYS A 91 -0.447 38.890 14.767 1.00 0.00 C ATOM 1355 CG LYS A 91 -1.291 38.386 13.595 1.00 0.00 C ATOM 1356 CD LYS A 91 -0.903 39.093 12.295 1.00 0.00 C ATOM 1357 CE LYS A 91 -1.763 40.338 12.070 1.00 0.00 C ATOM 1358 NZ LYS A 91 -1.151 41.516 12.725 1.00 0.00 N ATOM 0 H LYS A 91 -0.112 35.835 15.571 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.017 38.404 16.768 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.843 39.842 15.122 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.574 39.074 14.432 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.157 37.310 13.482 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.347 38.555 13.804 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.149 39.375 12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.021 38.408 11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.871 40.524 11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.764 40.172 12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.881 42.040 13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.410 41.201 13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.731 42.136 12.003 1.00 0.00 H new ATOM 1372 N LYS A 92 -2.647 38.350 16.754 1.00 0.00 N ATOM 1373 CA LYS A 92 -4.002 38.041 17.176 1.00 0.00 C ATOM 1374 C LYS A 92 -3.955 37.219 18.465 1.00 0.00 C ATOM 1375 O LYS A 92 -2.906 36.692 18.832 1.00 0.00 O ATOM 1376 CB LYS A 92 -4.775 37.364 16.043 1.00 0.00 C ATOM 1377 CG LYS A 92 -6.282 37.567 16.209 1.00 0.00 C ATOM 1378 CD LYS A 92 -6.925 38.012 14.893 1.00 0.00 C ATOM 1379 CE LYS A 92 -7.609 36.836 14.193 1.00 0.00 C ATOM 1380 NZ LYS A 92 -9.004 37.184 13.840 1.00 0.00 N ATOM 0 H LYS A 92 -2.394 39.336 16.821 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.549 38.957 17.401 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.453 37.771 15.085 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.547 36.298 16.029 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.742 36.639 16.547 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.469 38.314 16.980 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.654 38.798 15.088 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.165 38.438 14.238 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.055 36.569 13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.599 35.962 14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.454 36.375 13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.533 37.417 14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.006 38.005 13.201 1.00 0.00 H new ATOM 1394 N GLY A 93 -5.105 37.135 19.118 1.00 0.00 N ATOM 1395 CA GLY A 93 -5.208 36.386 20.359 1.00 0.00 C ATOM 1396 C GLY A 93 -6.445 36.808 21.153 1.00 0.00 C ATOM 1397 O GLY A 93 -6.336 37.221 22.307 1.00 0.00 O ATOM 0 H GLY A 93 -5.973 37.573 18.811 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.258 35.319 20.141 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.313 36.547 20.960 1.00 0.00 H new ATOM 1401 N VAL A 94 -7.595 36.691 20.504 1.00 0.00 N ATOM 1402 CA VAL A 94 -8.851 37.056 21.136 1.00 0.00 C ATOM 1403 C VAL A 94 -9.857 35.917 20.957 1.00 0.00 C ATOM 1404 O VAL A 94 -10.298 35.314 21.934 1.00 0.00 O ATOM 1405 CB VAL A 94 -9.351 38.389 20.575 1.00 0.00 C ATOM 1406 CG1 VAL A 94 -10.831 38.601 20.903 1.00 0.00 C ATOM 1407 CG2 VAL A 94 -8.503 39.553 21.089 1.00 0.00 C ATOM 0 H VAL A 94 -7.683 36.349 19.547 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.712 37.201 22.207 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.250 38.355 19.490 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.161 39.555 20.493 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.420 37.795 20.465 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.967 38.604 21.984 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.880 40.488 20.675 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.557 39.590 22.177 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.467 39.412 20.782 1.00 0.00 H new ATOM 1417 N SER A 95 -10.190 35.656 19.701 1.00 0.00 N ATOM 1418 CA SER A 95 -11.135 34.600 19.381 1.00 0.00 C ATOM 1419 C SER A 95 -12.538 34.994 19.849 1.00 0.00 C ATOM 1420 O SER A 95 -12.808 35.031 21.048 1.00 0.00 O ATOM 1421 CB SER A 95 -10.716 33.274 20.019 1.00 0.00 C ATOM 1422 OG SER A 95 -11.457 32.174 19.499 1.00 0.00 O ATOM 0 H SER A 95 -9.822 36.158 18.893 1.00 0.00 H new ATOM 0 HA SER A 95 -11.144 34.465 18.299 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.653 33.109 19.846 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.859 33.330 21.098 1.00 0.00 H new ATOM 0 HG SER A 95 -11.159 31.346 19.930 1.00 0.00 H new ATOM 1428 N GLY A 96 -13.393 35.278 18.877 1.00 0.00 N ATOM 1429 CA GLY A 96 -14.760 35.668 19.174 1.00 0.00 C ATOM 1430 C GLY A 96 -15.496 36.100 17.904 1.00 0.00 C ATOM 1431 O GLY A 96 -15.069 35.779 16.796 1.00 0.00 O ATOM 0 H GLY A 96 -13.165 35.246 17.883 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -15.287 34.834 19.638 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -14.760 36.486 19.895 1.00 0.00 H new ATOM 1435 N GLN A 97 -16.588 36.822 18.107 1.00 0.00 N ATOM 1436 CA GLN A 97 -17.387 37.301 16.992 1.00 0.00 C ATOM 1437 C GLN A 97 -17.972 38.678 17.312 1.00 0.00 C ATOM 1438 O GLN A 97 -17.659 39.661 16.642 1.00 0.00 O ATOM 1439 CB GLN A 97 -18.492 36.304 16.640 1.00 0.00 C ATOM 1440 CG GLN A 97 -17.976 35.231 15.679 1.00 0.00 C ATOM 1441 CD GLN A 97 -17.477 35.857 14.375 1.00 0.00 C ATOM 1442 OE1 GLN A 97 -16.327 36.241 14.241 1.00 0.00 O ATOM 1443 NE2 GLN A 97 -18.403 35.937 13.424 1.00 0.00 N ATOM 0 H GLN A 97 -16.938 37.087 19.028 1.00 0.00 H new ATOM 0 HA GLN A 97 -16.739 37.396 16.121 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.866 35.834 17.550 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -19.331 36.831 16.186 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -17.168 34.673 16.151 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -18.772 34.518 15.463 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -19.348 35.596 13.602 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -18.168 36.339 12.516 1.00 0.00 H new ATOM 1452 N LYS A 98 -18.812 38.705 18.336 1.00 0.00 N ATOM 1453 CA LYS A 98 -19.445 39.945 18.753 1.00 0.00 C ATOM 1454 C LYS A 98 -19.970 40.684 17.521 1.00 0.00 C ATOM 1455 O LYS A 98 -19.241 41.450 16.894 1.00 0.00 O ATOM 1456 CB LYS A 98 -18.484 40.777 19.605 1.00 0.00 C ATOM 1457 CG LYS A 98 -18.798 40.623 21.095 1.00 0.00 C ATOM 1458 CD LYS A 98 -19.918 41.575 21.519 1.00 0.00 C ATOM 1459 CE LYS A 98 -21.098 40.803 22.114 1.00 0.00 C ATOM 1460 NZ LYS A 98 -22.191 41.730 22.482 1.00 0.00 N ATOM 0 H LYS A 98 -19.069 37.888 18.890 1.00 0.00 H new ATOM 0 HA LYS A 98 -20.304 39.738 19.392 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.458 40.465 19.412 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.557 41.827 19.321 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.091 39.594 21.304 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.902 40.825 21.682 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -19.537 42.286 22.252 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -20.254 42.153 20.658 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -21.462 40.071 21.393 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.771 40.249 22.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.984 41.190 22.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -21.845 42.413 23.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -22.514 42.240 21.635 1.00 0.00 H new ATOM 1474 N SER A 99 -21.233 40.427 17.210 1.00 0.00 N ATOM 1475 CA SER A 99 -21.865 41.058 16.064 1.00 0.00 C ATOM 1476 C SER A 99 -23.306 40.565 15.924 1.00 0.00 C ATOM 1477 O SER A 99 -24.243 41.362 15.941 1.00 0.00 O ATOM 1478 CB SER A 99 -21.081 40.779 14.780 1.00 0.00 C ATOM 1479 OG SER A 99 -19.986 41.676 14.617 1.00 0.00 O ATOM 0 H SER A 99 -21.835 39.790 17.732 1.00 0.00 H new ATOM 0 HA SER A 99 -21.871 42.136 16.227 1.00 0.00 H new ATOM 0 HB2 SER A 99 -20.710 39.754 14.797 1.00 0.00 H new ATOM 0 HB3 SER A 99 -21.749 40.862 13.922 1.00 0.00 H new ATOM 0 HG SER A 99 -19.335 41.532 15.336 1.00 0.00 H new ATOM 1485 N GLY A 100 -23.439 39.254 15.790 1.00 0.00 N ATOM 1486 CA GLY A 100 -24.751 38.645 15.647 1.00 0.00 C ATOM 1487 C GLY A 100 -25.378 39.005 14.298 1.00 0.00 C ATOM 1488 O GLY A 100 -25.015 40.010 13.689 1.00 0.00 O ATOM 0 H GLY A 100 -22.660 38.596 15.777 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -24.665 37.562 15.735 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.401 38.979 16.455 1.00 0.00 H new ATOM 1492 N PRO A 101 -26.334 38.142 13.861 1.00 0.00 N ATOM 1493 CA PRO A 101 -27.015 38.359 12.596 1.00 0.00 C ATOM 1494 C PRO A 101 -28.040 39.489 12.711 1.00 0.00 C ATOM 1495 O PRO A 101 -29.243 39.239 12.764 1.00 0.00 O ATOM 1496 CB PRO A 101 -27.646 37.018 12.255 1.00 0.00 C ATOM 1497 CG PRO A 101 -27.689 36.234 13.556 1.00 0.00 C ATOM 1498 CD PRO A 101 -26.790 36.942 14.557 1.00 0.00 C ATOM 0 HA PRO A 101 -26.339 38.680 11.804 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -28.648 37.151 11.846 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.061 36.492 11.501 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -28.710 36.177 13.934 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -27.350 35.210 13.396 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -27.333 37.195 15.468 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -25.951 36.312 14.851 1.00 0.00 H new ATOM 1506 N SER A 102 -27.525 40.710 12.747 1.00 0.00 N ATOM 1507 CA SER A 102 -28.380 41.880 12.855 1.00 0.00 C ATOM 1508 C SER A 102 -27.566 43.148 12.591 1.00 0.00 C ATOM 1509 O SER A 102 -26.839 43.617 13.466 1.00 0.00 O ATOM 1510 CB SER A 102 -29.043 41.951 14.232 1.00 0.00 C ATOM 1511 OG SER A 102 -30.378 42.446 14.156 1.00 0.00 O ATOM 0 H SER A 102 -26.527 40.914 12.703 1.00 0.00 H new ATOM 0 HA SER A 102 -29.168 41.800 12.106 1.00 0.00 H new ATOM 0 HB2 SER A 102 -29.049 40.959 14.683 1.00 0.00 H new ATOM 0 HB3 SER A 102 -28.454 42.595 14.885 1.00 0.00 H new ATOM 0 HG SER A 102 -30.768 42.475 15.055 1.00 0.00 H new ATOM 1517 N SER A 103 -27.716 43.668 11.382 1.00 0.00 N ATOM 1518 CA SER A 103 -27.004 44.873 10.992 1.00 0.00 C ATOM 1519 C SER A 103 -27.871 46.104 11.263 1.00 0.00 C ATOM 1520 O SER A 103 -28.766 46.421 10.482 1.00 0.00 O ATOM 1521 CB SER A 103 -26.601 44.822 9.517 1.00 0.00 C ATOM 1522 OG SER A 103 -26.063 46.063 9.067 1.00 0.00 O ATOM 0 H SER A 103 -28.320 43.277 10.659 1.00 0.00 H new ATOM 0 HA SER A 103 -26.093 44.940 11.587 1.00 0.00 H new ATOM 0 HB2 SER A 103 -25.864 44.033 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 103 -27.470 44.563 8.912 1.00 0.00 H new ATOM 0 HG SER A 103 -25.817 45.989 8.121 1.00 0.00 H new ATOM 1528 N GLY A 104 -27.575 46.764 12.373 1.00 0.00 N ATOM 1529 CA GLY A 104 -28.317 47.953 12.757 1.00 0.00 C ATOM 1530 C GLY A 104 -27.741 48.570 14.034 1.00 0.00 C ATOM 1531 O GLY A 104 -27.904 48.020 15.122 1.00 0.00 O ATOM 0 H GLY A 104 -26.832 46.498 13.019 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -28.284 48.684 11.949 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -29.365 47.697 12.913 1.00 0.00 H new TER 1535 GLY A 104