USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 921 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 72 THR OG1 : rot 97:sc= 1.13 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -13.7! C(o=-13!,f=-11!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -172:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 53 ASN : amide:sc= 0.441 K(o=1.7,f=-4.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 131:sc= -0.0117 (180deg=-0.691) USER MOD Single : A 2 ASN : amide:sc= -0.0121 K(o=-0.012,f=-0.99) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HE2:sc= 0.14 K(o=0.14,f=-1.1) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -117:sc= 0.938 USER MOD Single : A 30 LYS NZ :NH3+ 146:sc= 0.576 (180deg=0.133) USER MOD Single : A 31 SER OG : rot 180:sc= -1.82! USER MOD Single : A 34 SER OG : rot 180:sc= -0.0409 USER MOD Single : A 38 TYR OH : rot -150:sc= -0.508 USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.143) USER MOD Single : A 47 GLN : amide:sc= -0.0603 X(o=-0.06,f=0) USER MOD Single : A 48 THR OG1 : rot -60:sc= 0.128 USER MOD Single : A 54 ASN : amide:sc= -0.697 K(o=-0.7,f=-0.13) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.706 X(o=-0.71,f=-0.91) USER MOD Single : A 63 MET CE :methyl 173:sc= 0 (180deg=-0.0291) USER MOD Single : A 64 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.141) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0802 USER MOD Single : A 71 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.89) USER MOD Single : A 79 GLN : amide:sc= -0.3 K(o=-0.3,f=-2.3) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 87 THR OG1 : rot 30:sc= 0.0565 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -154:sc= -0.0303 (180deg=-0.357) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0.312 X(o=0.31,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.598 4.369 -12.602 1.00 0.00 N ATOM 2 CA MET A 1 19.921 3.166 -12.027 1.00 0.00 C ATOM 3 C MET A 1 18.744 3.587 -11.132 1.00 0.00 C ATOM 4 O MET A 1 18.463 4.761 -10.978 1.00 0.00 O ATOM 5 CB MET A 1 21.001 2.437 -11.210 1.00 0.00 C ATOM 6 CG MET A 1 21.404 3.277 -9.991 1.00 0.00 C ATOM 7 SD MET A 1 22.713 2.421 -9.078 1.00 0.00 S ATOM 8 CE MET A 1 24.119 3.154 -9.950 1.00 0.00 C ATOM 0 H1 MET A 1 21.625 4.291 -12.458 1.00 0.00 H new ATOM 0 H2 MET A 1 20.394 4.429 -13.620 1.00 0.00 H new ATOM 0 H3 MET A 1 20.246 5.225 -12.128 1.00 0.00 H new ATOM 0 HA MET A 1 19.506 2.523 -12.803 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.627 1.467 -10.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.874 2.248 -11.835 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.751 4.259 -10.311 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.541 3.439 -9.345 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.048 2.758 -9.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.057 2.909 -11.010 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.100 4.237 -9.826 1.00 0.00 H new ATOM 20 N ASN A 2 18.059 2.633 -10.547 1.00 0.00 N ATOM 21 CA ASN A 2 16.896 2.966 -9.661 1.00 0.00 C ATOM 22 C ASN A 2 17.368 3.741 -8.424 1.00 0.00 C ATOM 23 O ASN A 2 18.386 3.423 -7.835 1.00 0.00 O ATOM 24 CB ASN A 2 16.302 1.613 -9.248 1.00 0.00 C ATOM 25 CG ASN A 2 15.202 1.198 -10.236 1.00 0.00 C ATOM 26 OD1 ASN A 2 15.164 1.666 -11.357 1.00 0.00 O ATOM 27 ND2 ASN A 2 14.300 0.330 -9.863 1.00 0.00 N ATOM 0 H ASN A 2 18.255 1.637 -10.645 1.00 0.00 H new ATOM 0 HA ASN A 2 16.165 3.595 -10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 2 17.085 0.855 -9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 2 15.891 1.679 -8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.566 0.046 -10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 2 14.330 -0.064 -8.923 1.00 0.00 H new ATOM 34 N GLU A 3 16.634 4.754 -8.030 1.00 0.00 N ATOM 35 CA GLU A 3 17.030 5.556 -6.830 1.00 0.00 C ATOM 36 C GLU A 3 15.784 5.977 -6.033 1.00 0.00 C ATOM 37 O GLU A 3 15.536 7.150 -5.816 1.00 0.00 O ATOM 38 CB GLU A 3 17.755 6.781 -7.397 1.00 0.00 C ATOM 39 CG GLU A 3 18.695 7.356 -6.335 1.00 0.00 C ATOM 40 CD GLU A 3 19.531 8.485 -6.945 1.00 0.00 C ATOM 41 OE1 GLU A 3 20.510 8.180 -7.606 1.00 0.00 O ATOM 42 OE2 GLU A 3 19.178 9.635 -6.740 1.00 0.00 O ATOM 0 H GLU A 3 15.776 5.060 -8.489 1.00 0.00 H new ATOM 0 HA GLU A 3 17.662 4.992 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 3 18.321 6.502 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.031 7.536 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.118 7.733 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.349 6.573 -5.951 1.00 0.00 H new ATOM 49 N VAL A 4 14.999 5.024 -5.592 1.00 0.00 N ATOM 50 CA VAL A 4 13.772 5.358 -4.806 1.00 0.00 C ATOM 51 C VAL A 4 13.840 4.696 -3.426 1.00 0.00 C ATOM 52 O VAL A 4 14.005 3.494 -3.312 1.00 0.00 O ATOM 53 CB VAL A 4 12.604 4.793 -5.624 1.00 0.00 C ATOM 54 CG1 VAL A 4 11.312 4.882 -4.807 1.00 0.00 C ATOM 55 CG2 VAL A 4 12.442 5.603 -6.916 1.00 0.00 C ATOM 0 H VAL A 4 15.156 4.028 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 4 13.664 6.430 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 4 12.809 3.751 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.484 4.480 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.422 4.306 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.109 5.924 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.612 5.200 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.240 6.645 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.359 5.540 -7.502 1.00 0.00 H new ATOM 65 N SER A 5 13.709 5.470 -2.378 1.00 0.00 N ATOM 66 CA SER A 5 13.764 4.885 -1.002 1.00 0.00 C ATOM 67 C SER A 5 12.346 4.646 -0.478 1.00 0.00 C ATOM 68 O SER A 5 11.374 5.065 -1.080 1.00 0.00 O ATOM 69 CB SER A 5 14.478 5.936 -0.150 1.00 0.00 C ATOM 70 OG SER A 5 15.872 5.896 -0.425 1.00 0.00 O ATOM 0 H SER A 5 13.567 6.479 -2.415 1.00 0.00 H new ATOM 0 HA SER A 5 14.281 3.926 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.081 6.928 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.299 5.746 0.908 1.00 0.00 H new ATOM 0 HG SER A 5 16.332 6.570 0.118 1.00 0.00 H new ATOM 76 N VAL A 6 12.219 3.983 0.644 1.00 0.00 N ATOM 77 CA VAL A 6 10.861 3.731 1.212 1.00 0.00 C ATOM 78 C VAL A 6 10.412 4.949 2.025 1.00 0.00 C ATOM 79 O VAL A 6 11.120 5.419 2.897 1.00 0.00 O ATOM 80 CB VAL A 6 11.008 2.495 2.109 1.00 0.00 C ATOM 81 CG1 VAL A 6 9.761 2.334 2.985 1.00 0.00 C ATOM 82 CG2 VAL A 6 11.172 1.248 1.237 1.00 0.00 C ATOM 0 H VAL A 6 12.995 3.607 1.189 1.00 0.00 H new ATOM 0 HA VAL A 6 10.112 3.564 0.438 1.00 0.00 H new ATOM 0 HB VAL A 6 11.884 2.620 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.873 1.454 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.639 3.219 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.883 2.214 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.276 0.370 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.295 1.132 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.061 1.353 0.615 1.00 0.00 H new ATOM 92 N ILE A 7 9.240 5.458 1.747 1.00 0.00 N ATOM 93 CA ILE A 7 8.738 6.646 2.502 1.00 0.00 C ATOM 94 C ILE A 7 8.094 6.196 3.818 1.00 0.00 C ATOM 95 O ILE A 7 8.318 6.784 4.860 1.00 0.00 O ATOM 96 CB ILE A 7 7.697 7.296 1.579 1.00 0.00 C ATOM 97 CG1 ILE A 7 8.388 7.863 0.330 1.00 0.00 C ATOM 98 CG2 ILE A 7 6.977 8.424 2.320 1.00 0.00 C ATOM 99 CD1 ILE A 7 9.610 8.696 0.732 1.00 0.00 C ATOM 0 H ILE A 7 8.608 5.103 1.030 1.00 0.00 H new ATOM 0 HA ILE A 7 9.536 7.342 2.761 1.00 0.00 H new ATOM 0 HB ILE A 7 6.971 6.541 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.694 7.048 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.688 8.480 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.240 8.881 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.475 8.020 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.702 9.176 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.091 9.092 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.294 9.521 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.316 8.068 1.275 1.00 0.00 H new ATOM 111 N LYS A 8 7.293 5.163 3.775 1.00 0.00 N ATOM 112 CA LYS A 8 6.631 4.675 5.021 1.00 0.00 C ATOM 113 C LYS A 8 6.425 3.159 4.959 1.00 0.00 C ATOM 114 O LYS A 8 6.033 2.617 3.944 1.00 0.00 O ATOM 115 CB LYS A 8 5.283 5.399 5.060 1.00 0.00 C ATOM 116 CG LYS A 8 4.946 5.791 6.502 1.00 0.00 C ATOM 117 CD LYS A 8 5.743 7.039 6.899 1.00 0.00 C ATOM 118 CE LYS A 8 6.797 6.664 7.949 1.00 0.00 C ATOM 119 NZ LYS A 8 7.690 7.854 8.050 1.00 0.00 N ATOM 0 H LYS A 8 7.069 4.636 2.931 1.00 0.00 H new ATOM 0 HA LYS A 8 7.229 4.874 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.319 6.288 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.502 4.755 4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.878 5.985 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.181 4.968 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.226 7.469 6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.072 7.800 7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.333 6.437 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.355 5.778 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.436 7.670 8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.124 8.042 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.134 8.681 8.346 1.00 0.00 H new ATOM 133 N GLU A 9 6.678 2.477 6.045 1.00 0.00 N ATOM 134 CA GLU A 9 6.492 0.994 6.070 1.00 0.00 C ATOM 135 C GLU A 9 5.789 0.578 7.365 1.00 0.00 C ATOM 136 O GLU A 9 6.049 1.117 8.425 1.00 0.00 O ATOM 137 CB GLU A 9 7.901 0.397 5.988 1.00 0.00 C ATOM 138 CG GLU A 9 8.763 0.894 7.152 1.00 0.00 C ATOM 139 CD GLU A 9 10.199 0.406 6.960 1.00 0.00 C ATOM 140 OE1 GLU A 9 10.493 -0.694 7.398 1.00 0.00 O ATOM 141 OE2 GLU A 9 10.980 1.139 6.374 1.00 0.00 O ATOM 0 H GLU A 9 7.007 2.884 6.920 1.00 0.00 H new ATOM 0 HA GLU A 9 5.871 0.643 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.843 -0.691 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.365 0.673 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.740 1.983 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.365 0.526 8.098 1.00 0.00 H new ATOM 148 N GLY A 10 4.884 -0.361 7.281 1.00 0.00 N ATOM 149 CA GLY A 10 4.147 -0.797 8.501 1.00 0.00 C ATOM 150 C GLY A 10 3.353 -2.072 8.210 1.00 0.00 C ATOM 151 O GLY A 10 3.250 -2.506 7.078 1.00 0.00 O ATOM 0 H GLY A 10 4.624 -0.844 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.850 -0.975 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.472 -0.006 8.829 1.00 0.00 H new ATOM 155 N TRP A 11 2.779 -2.668 9.224 1.00 0.00 N ATOM 156 CA TRP A 11 1.976 -3.912 9.008 1.00 0.00 C ATOM 157 C TRP A 11 0.523 -3.541 8.698 1.00 0.00 C ATOM 158 O TRP A 11 -0.101 -2.787 9.422 1.00 0.00 O ATOM 159 CB TRP A 11 2.066 -4.689 10.325 1.00 0.00 C ATOM 160 CG TRP A 11 3.397 -5.368 10.416 1.00 0.00 C ATOM 161 CD1 TRP A 11 4.503 -4.833 10.979 1.00 0.00 C ATOM 162 CD2 TRP A 11 3.778 -6.692 9.941 1.00 0.00 C ATOM 163 NE1 TRP A 11 5.539 -5.742 10.879 1.00 0.00 N ATOM 164 CE2 TRP A 11 5.143 -6.903 10.248 1.00 0.00 C ATOM 165 CE3 TRP A 11 3.082 -7.721 9.281 1.00 0.00 C ATOM 166 CZ2 TRP A 11 5.794 -8.090 9.914 1.00 0.00 C ATOM 167 CZ3 TRP A 11 3.735 -8.918 8.943 1.00 0.00 C ATOM 168 CH2 TRP A 11 5.088 -9.101 9.259 1.00 0.00 C ATOM 0 H TRP A 11 2.831 -2.348 10.191 1.00 0.00 H new ATOM 0 HA TRP A 11 2.345 -4.504 8.170 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.933 -4.012 11.169 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.265 -5.427 10.379 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.567 -3.855 11.433 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.482 -5.575 11.229 1.00 0.00 H new ATOM 0 HE3 TRP A 11 2.039 -7.590 9.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.837 -8.226 10.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.191 -9.702 8.437 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.584 -10.023 8.996 1.00 0.00 H new ATOM 179 N LEU A 12 -0.019 -4.061 7.624 1.00 0.00 N ATOM 180 CA LEU A 12 -1.433 -3.733 7.258 1.00 0.00 C ATOM 181 C LEU A 12 -2.251 -5.017 7.084 1.00 0.00 C ATOM 182 O LEU A 12 -1.712 -6.082 6.863 1.00 0.00 O ATOM 183 CB LEU A 12 -1.341 -2.966 5.933 1.00 0.00 C ATOM 184 CG LEU A 12 -0.459 -1.723 6.108 1.00 0.00 C ATOM 185 CD1 LEU A 12 -0.347 -0.979 4.775 1.00 0.00 C ATOM 186 CD2 LEU A 12 -1.079 -0.795 7.156 1.00 0.00 C ATOM 0 H LEU A 12 0.456 -4.698 6.985 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.929 -3.146 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.926 -3.611 5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.337 -2.672 5.603 1.00 0.00 H new ATOM 0 HG LEU A 12 0.533 -2.032 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.280 -0.097 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.098 -1.636 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.340 -0.674 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.450 0.087 7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.073 -0.490 6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.156 -1.321 8.108 1.00 0.00 H new ATOM 198 N HIS A 13 -3.553 -4.921 7.183 1.00 0.00 N ATOM 199 CA HIS A 13 -4.411 -6.134 7.027 1.00 0.00 C ATOM 200 C HIS A 13 -4.981 -6.215 5.607 1.00 0.00 C ATOM 201 O HIS A 13 -5.561 -5.271 5.100 1.00 0.00 O ATOM 202 CB HIS A 13 -5.533 -5.968 8.056 1.00 0.00 C ATOM 203 CG HIS A 13 -5.142 -6.665 9.331 1.00 0.00 C ATOM 204 ND1 HIS A 13 -5.730 -7.854 9.738 1.00 0.00 N ATOM 205 CD2 HIS A 13 -4.216 -6.357 10.295 1.00 0.00 C ATOM 206 CE1 HIS A 13 -5.154 -8.213 10.900 1.00 0.00 C ATOM 207 NE2 HIS A 13 -4.224 -7.334 11.285 1.00 0.00 N ATOM 0 H HIS A 13 -4.059 -4.054 7.365 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.849 -7.054 7.186 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.714 -4.910 8.247 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.462 -6.386 7.669 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -6.465 -8.363 9.246 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.577 -5.487 10.287 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.412 -9.103 11.454 1.00 0.00 H new ATOM 215 N LYS A 14 -4.816 -7.347 4.971 1.00 0.00 N ATOM 216 CA LYS A 14 -5.337 -7.530 3.584 1.00 0.00 C ATOM 217 C LYS A 14 -6.354 -8.676 3.559 1.00 0.00 C ATOM 218 O LYS A 14 -6.114 -9.740 4.099 1.00 0.00 O ATOM 219 CB LYS A 14 -4.107 -7.886 2.739 1.00 0.00 C ATOM 220 CG LYS A 14 -3.829 -6.761 1.739 1.00 0.00 C ATOM 221 CD LYS A 14 -4.509 -7.082 0.404 1.00 0.00 C ATOM 222 CE LYS A 14 -3.449 -7.224 -0.693 1.00 0.00 C ATOM 223 NZ LYS A 14 -2.964 -8.631 -0.589 1.00 0.00 N ATOM 0 H LYS A 14 -4.337 -8.160 5.358 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.842 -6.640 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.241 -8.036 3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.276 -8.824 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.200 -5.813 2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.755 -6.647 1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.084 -8.004 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.212 -6.291 0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.872 -7.025 -1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.634 -6.515 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.144 -8.763 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.685 -8.830 0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.724 -9.282 -0.872 1.00 0.00 H new ATOM 237 N ARG A 15 -7.486 -8.469 2.936 1.00 0.00 N ATOM 238 CA ARG A 15 -8.519 -9.548 2.880 1.00 0.00 C ATOM 239 C ARG A 15 -8.060 -10.687 1.960 1.00 0.00 C ATOM 240 O ARG A 15 -7.364 -10.470 0.983 1.00 0.00 O ATOM 241 CB ARG A 15 -9.780 -8.887 2.321 1.00 0.00 C ATOM 242 CG ARG A 15 -10.957 -9.859 2.429 1.00 0.00 C ATOM 243 CD ARG A 15 -12.164 -9.142 3.037 1.00 0.00 C ATOM 244 NE ARG A 15 -13.341 -9.684 2.296 1.00 0.00 N ATOM 245 CZ ARG A 15 -13.815 -9.080 1.227 1.00 0.00 C ATOM 246 NH1 ARG A 15 -13.267 -7.977 0.772 1.00 0.00 N ATOM 247 NH2 ARG A 15 -14.844 -9.595 0.602 1.00 0.00 N ATOM 0 H ARG A 15 -7.740 -7.601 2.464 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.695 -9.984 3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.998 -7.972 2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.624 -8.603 1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.212 -10.248 1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.680 -10.713 3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -12.244 -9.339 4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.084 -8.062 2.917 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.787 -10.540 2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.460 -7.574 1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.648 -7.523 -0.058 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.270 -10.456 0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.219 -9.135 -0.227 1.00 0.00 H new ATOM 261 N GLY A 16 -8.447 -11.898 2.269 1.00 0.00 N ATOM 262 CA GLY A 16 -8.048 -13.061 1.424 1.00 0.00 C ATOM 263 C GLY A 16 -9.293 -13.672 0.774 1.00 0.00 C ATOM 264 O GLY A 16 -10.295 -13.894 1.429 1.00 0.00 O ATOM 0 H GLY A 16 -9.026 -12.131 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.344 -12.741 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.539 -13.808 2.032 1.00 0.00 H new ATOM 268 N GLU A 17 -9.232 -13.948 -0.510 1.00 0.00 N ATOM 269 CA GLU A 17 -10.401 -14.551 -1.226 1.00 0.00 C ATOM 270 C GLU A 17 -11.667 -13.704 -1.013 1.00 0.00 C ATOM 271 O GLU A 17 -11.598 -12.504 -0.809 1.00 0.00 O ATOM 272 CB GLU A 17 -10.560 -15.950 -0.616 1.00 0.00 C ATOM 273 CG GLU A 17 -10.774 -16.975 -1.733 1.00 0.00 C ATOM 274 CD GLU A 17 -10.988 -18.362 -1.122 1.00 0.00 C ATOM 275 OE1 GLU A 17 -12.114 -18.662 -0.763 1.00 0.00 O ATOM 276 OE2 GLU A 17 -10.021 -19.098 -1.023 1.00 0.00 O ATOM 0 H GLU A 17 -8.414 -13.779 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.246 -14.595 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.674 -16.208 -0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.406 -15.964 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.637 -16.695 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.911 -16.989 -2.398 1.00 0.00 H new ATOM 283 N TYR A 18 -12.823 -14.320 -1.063 1.00 0.00 N ATOM 284 CA TYR A 18 -14.094 -13.559 -0.864 1.00 0.00 C ATOM 285 C TYR A 18 -14.531 -13.584 0.613 1.00 0.00 C ATOM 286 O TYR A 18 -15.416 -12.849 1.009 1.00 0.00 O ATOM 287 CB TYR A 18 -15.130 -14.256 -1.761 1.00 0.00 C ATOM 288 CG TYR A 18 -15.457 -15.637 -1.229 1.00 0.00 C ATOM 289 CD1 TYR A 18 -16.395 -15.788 -0.199 1.00 0.00 C ATOM 290 CD2 TYR A 18 -14.833 -16.766 -1.775 1.00 0.00 C ATOM 291 CE1 TYR A 18 -16.704 -17.063 0.286 1.00 0.00 C ATOM 292 CE2 TYR A 18 -15.145 -18.042 -1.290 1.00 0.00 C ATOM 293 CZ TYR A 18 -16.080 -18.190 -0.259 1.00 0.00 C ATOM 294 OH TYR A 18 -16.389 -19.448 0.218 1.00 0.00 O ATOM 0 H TYR A 18 -12.940 -15.319 -1.233 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.979 -12.507 -1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -16.038 -13.655 -1.810 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -14.744 -14.334 -2.777 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -16.880 -14.919 0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.111 -16.652 -2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.425 -17.177 1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -14.664 -18.912 -1.712 1.00 0.00 H new ATOM 0 HH TYR A 18 -15.868 -20.120 -0.270 1.00 0.00 H new ATOM 304 N ILE A 19 -13.919 -14.416 1.431 1.00 0.00 N ATOM 305 CA ILE A 19 -14.308 -14.472 2.879 1.00 0.00 C ATOM 306 C ILE A 19 -14.075 -13.105 3.545 1.00 0.00 C ATOM 307 O ILE A 19 -13.269 -12.313 3.092 1.00 0.00 O ATOM 308 CB ILE A 19 -13.409 -15.558 3.498 1.00 0.00 C ATOM 309 CG1 ILE A 19 -13.951 -15.954 4.876 1.00 0.00 C ATOM 310 CG2 ILE A 19 -11.976 -15.037 3.649 1.00 0.00 C ATOM 311 CD1 ILE A 19 -15.104 -16.947 4.710 1.00 0.00 C ATOM 0 H ILE A 19 -13.172 -15.054 1.158 1.00 0.00 H new ATOM 0 HA ILE A 19 -15.364 -14.706 3.017 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.407 -16.427 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.157 -16.400 5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -14.295 -15.069 5.411 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.351 -15.814 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.583 -14.765 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.974 -14.161 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -15.487 -17.227 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.901 -16.485 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.746 -17.837 4.193 1.00 0.00 H new ATOM 323 N LYS A 20 -14.783 -12.820 4.611 1.00 0.00 N ATOM 324 CA LYS A 20 -14.613 -11.500 5.299 1.00 0.00 C ATOM 325 C LYS A 20 -13.495 -11.575 6.351 1.00 0.00 C ATOM 326 O LYS A 20 -13.711 -11.311 7.521 1.00 0.00 O ATOM 327 CB LYS A 20 -15.968 -11.220 5.958 1.00 0.00 C ATOM 328 CG LYS A 20 -17.049 -11.064 4.884 1.00 0.00 C ATOM 329 CD LYS A 20 -18.434 -11.180 5.528 1.00 0.00 C ATOM 330 CE LYS A 20 -18.745 -12.653 5.818 1.00 0.00 C ATOM 331 NZ LYS A 20 -19.989 -12.633 6.641 1.00 0.00 N ATOM 0 H LYS A 20 -15.471 -13.443 5.035 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.327 -10.709 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.229 -12.035 6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.909 -10.314 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.947 -10.098 4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.928 -11.830 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.466 -10.602 6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.191 -10.762 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.892 -13.214 4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.925 -13.131 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.264 -13.608 6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.818 -12.098 7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.754 -12.179 6.103 1.00 0.00 H new ATOM 345 N THR A 21 -12.299 -11.925 5.941 1.00 0.00 N ATOM 346 CA THR A 21 -11.162 -12.013 6.911 1.00 0.00 C ATOM 347 C THR A 21 -9.957 -11.228 6.380 1.00 0.00 C ATOM 348 O THR A 21 -9.646 -11.276 5.205 1.00 0.00 O ATOM 349 CB THR A 21 -10.823 -13.504 7.015 1.00 0.00 C ATOM 350 OG1 THR A 21 -12.021 -14.271 7.050 1.00 0.00 O ATOM 351 CG2 THR A 21 -10.019 -13.757 8.292 1.00 0.00 C ATOM 0 H THR A 21 -12.061 -12.154 4.976 1.00 0.00 H new ATOM 0 HA THR A 21 -11.422 -11.592 7.882 1.00 0.00 H new ATOM 0 HB THR A 21 -10.233 -13.799 6.147 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.798 -15.223 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.778 -14.817 8.366 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.097 -13.176 8.262 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.609 -13.458 9.158 1.00 0.00 H new ATOM 359 N TRP A 22 -9.279 -10.509 7.240 1.00 0.00 N ATOM 360 CA TRP A 22 -8.090 -9.715 6.795 1.00 0.00 C ATOM 361 C TRP A 22 -6.824 -10.226 7.499 1.00 0.00 C ATOM 362 O TRP A 22 -6.805 -10.414 8.702 1.00 0.00 O ATOM 363 CB TRP A 22 -8.388 -8.265 7.206 1.00 0.00 C ATOM 364 CG TRP A 22 -9.622 -7.780 6.503 1.00 0.00 C ATOM 365 CD1 TRP A 22 -10.890 -8.098 6.856 1.00 0.00 C ATOM 366 CD2 TRP A 22 -9.730 -6.901 5.343 1.00 0.00 C ATOM 367 NE1 TRP A 22 -11.765 -7.476 5.987 1.00 0.00 N ATOM 368 CE2 TRP A 22 -11.101 -6.727 5.039 1.00 0.00 C ATOM 369 CE3 TRP A 22 -8.784 -6.245 4.533 1.00 0.00 C ATOM 370 CZ2 TRP A 22 -11.520 -5.933 3.972 1.00 0.00 C ATOM 371 CZ3 TRP A 22 -9.203 -5.444 3.458 1.00 0.00 C ATOM 372 CH2 TRP A 22 -10.569 -5.289 3.178 1.00 0.00 C ATOM 0 H TRP A 22 -9.498 -10.437 8.234 1.00 0.00 H new ATOM 0 HA TRP A 22 -7.918 -9.800 5.722 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -8.526 -8.205 8.286 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -7.541 -7.625 6.957 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -11.171 -8.734 7.682 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.780 -7.561 6.040 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.730 -6.358 4.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -12.573 -5.817 3.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.469 -4.944 2.843 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.885 -4.672 2.349 1.00 0.00 H new ATOM 383 N ARG A 23 -5.770 -10.453 6.755 1.00 0.00 N ATOM 384 CA ARG A 23 -4.502 -10.957 7.370 1.00 0.00 C ATOM 385 C ARG A 23 -3.432 -9.854 7.386 1.00 0.00 C ATOM 386 O ARG A 23 -3.325 -9.081 6.451 1.00 0.00 O ATOM 387 CB ARG A 23 -4.067 -12.141 6.495 1.00 0.00 C ATOM 388 CG ARG A 23 -3.557 -11.650 5.134 1.00 0.00 C ATOM 389 CD ARG A 23 -3.606 -12.804 4.126 1.00 0.00 C ATOM 390 NE ARG A 23 -4.008 -12.176 2.831 1.00 0.00 N ATOM 391 CZ ARG A 23 -4.459 -12.910 1.838 1.00 0.00 C ATOM 392 NH1 ARG A 23 -4.594 -14.210 1.965 1.00 0.00 N ATOM 393 NH2 ARG A 23 -4.785 -12.334 0.709 1.00 0.00 N ATOM 0 H ARG A 23 -5.732 -10.311 5.746 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.644 -11.260 8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.283 -12.705 7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.907 -12.821 6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.168 -10.819 4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.537 -11.278 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.636 -13.295 4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.323 -13.565 4.434 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.932 -11.165 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.347 -14.665 2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.945 -14.765 1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.688 -11.324 0.605 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.136 -12.895 -0.067 1.00 0.00 H new ATOM 407 N PRO A 24 -2.675 -9.813 8.460 1.00 0.00 N ATOM 408 CA PRO A 24 -1.607 -8.789 8.611 1.00 0.00 C ATOM 409 C PRO A 24 -0.417 -9.071 7.676 1.00 0.00 C ATOM 410 O PRO A 24 0.070 -10.183 7.580 1.00 0.00 O ATOM 411 CB PRO A 24 -1.193 -8.915 10.076 1.00 0.00 C ATOM 412 CG PRO A 24 -1.558 -10.312 10.464 1.00 0.00 C ATOM 413 CD PRO A 24 -2.744 -10.708 9.625 1.00 0.00 C ATOM 0 HA PRO A 24 -1.949 -7.788 8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.125 -8.737 10.201 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.712 -8.185 10.697 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.722 -10.990 10.294 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.801 -10.366 11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.689 -11.755 9.327 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.679 -10.580 10.171 1.00 0.00 H new ATOM 421 N ARG A 25 0.046 -8.054 6.993 1.00 0.00 N ATOM 422 CA ARG A 25 1.200 -8.209 6.057 1.00 0.00 C ATOM 423 C ARG A 25 2.119 -6.986 6.172 1.00 0.00 C ATOM 424 O ARG A 25 1.658 -5.875 6.352 1.00 0.00 O ATOM 425 CB ARG A 25 0.573 -8.276 4.662 1.00 0.00 C ATOM 426 CG ARG A 25 0.578 -9.719 4.154 1.00 0.00 C ATOM 427 CD ARG A 25 1.033 -9.738 2.691 1.00 0.00 C ATOM 428 NE ARG A 25 0.109 -10.681 1.993 1.00 0.00 N ATOM 429 CZ ARG A 25 0.398 -11.129 0.790 1.00 0.00 C ATOM 430 NH1 ARG A 25 1.511 -10.779 0.191 1.00 0.00 N ATOM 431 NH2 ARG A 25 -0.433 -11.936 0.187 1.00 0.00 N ATOM 0 H ARG A 25 -0.333 -7.109 7.046 1.00 0.00 H new ATOM 0 HA ARG A 25 1.801 -9.092 6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.448 -7.897 4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.128 -7.638 3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.246 -10.329 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.419 -10.152 4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.981 -8.742 2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.068 -10.070 2.607 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.752 -10.980 2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.166 -10.152 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.722 -11.134 -0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.299 -12.215 0.649 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.216 -12.288 -0.746 1.00 0.00 H new ATOM 445 N TYR A 26 3.411 -7.172 6.062 1.00 0.00 N ATOM 446 CA TYR A 26 4.341 -6.007 6.159 1.00 0.00 C ATOM 447 C TYR A 26 4.261 -5.185 4.868 1.00 0.00 C ATOM 448 O TYR A 26 4.802 -5.560 3.845 1.00 0.00 O ATOM 449 CB TYR A 26 5.737 -6.623 6.337 1.00 0.00 C ATOM 450 CG TYR A 26 6.687 -5.621 6.962 1.00 0.00 C ATOM 451 CD1 TYR A 26 6.266 -4.810 8.025 1.00 0.00 C ATOM 452 CD2 TYR A 26 7.998 -5.514 6.482 1.00 0.00 C ATOM 453 CE1 TYR A 26 7.154 -3.895 8.604 1.00 0.00 C ATOM 454 CE2 TYR A 26 8.886 -4.601 7.063 1.00 0.00 C ATOM 455 CZ TYR A 26 8.465 -3.791 8.125 1.00 0.00 C ATOM 456 OH TYR A 26 9.343 -2.894 8.701 1.00 0.00 O ATOM 0 H TYR A 26 3.859 -8.075 5.910 1.00 0.00 H new ATOM 0 HA TYR A 26 4.097 -5.336 6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.671 -7.511 6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.124 -6.945 5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.256 -4.891 8.398 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.325 -6.137 5.662 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.827 -3.269 9.421 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.897 -4.521 6.692 1.00 0.00 H new ATOM 0 HH TYR A 26 9.613 -2.228 8.035 1.00 0.00 H new ATOM 466 N PHE A 27 3.579 -4.070 4.910 1.00 0.00 N ATOM 467 CA PHE A 27 3.443 -3.223 3.686 1.00 0.00 C ATOM 468 C PHE A 27 4.449 -2.068 3.714 1.00 0.00 C ATOM 469 O PHE A 27 4.737 -1.506 4.755 1.00 0.00 O ATOM 470 CB PHE A 27 2.011 -2.691 3.728 1.00 0.00 C ATOM 471 CG PHE A 27 1.111 -3.566 2.888 1.00 0.00 C ATOM 472 CD1 PHE A 27 0.836 -4.880 3.288 1.00 0.00 C ATOM 473 CD2 PHE A 27 0.547 -3.059 1.712 1.00 0.00 C ATOM 474 CE1 PHE A 27 -0.003 -5.686 2.510 1.00 0.00 C ATOM 475 CE2 PHE A 27 -0.291 -3.865 0.935 1.00 0.00 C ATOM 476 CZ PHE A 27 -0.566 -5.179 1.333 1.00 0.00 C ATOM 0 H PHE A 27 3.109 -3.708 5.740 1.00 0.00 H new ATOM 0 HA PHE A 27 3.643 -3.787 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.653 -2.668 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.984 -1.666 3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.271 -5.271 4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.759 -2.046 1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.216 -6.699 2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.726 -3.474 0.027 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.212 -5.801 0.732 1.00 0.00 H new ATOM 486 N LEU A 28 4.987 -1.719 2.573 1.00 0.00 N ATOM 487 CA LEU A 28 5.984 -0.606 2.515 1.00 0.00 C ATOM 488 C LEU A 28 5.732 0.277 1.286 1.00 0.00 C ATOM 489 O LEU A 28 5.686 -0.202 0.168 1.00 0.00 O ATOM 490 CB LEU A 28 7.347 -1.300 2.396 1.00 0.00 C ATOM 491 CG LEU A 28 7.706 -1.978 3.723 1.00 0.00 C ATOM 492 CD1 LEU A 28 7.304 -3.456 3.678 1.00 0.00 C ATOM 493 CD2 LEU A 28 9.216 -1.870 3.958 1.00 0.00 C ATOM 0 H LEU A 28 4.778 -2.158 1.676 1.00 0.00 H new ATOM 0 HA LEU A 28 5.924 0.041 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.319 -2.040 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.114 -0.572 2.131 1.00 0.00 H new ATOM 0 HG LEU A 28 7.171 -1.484 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.562 -3.932 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.230 -3.536 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.834 -3.953 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.473 -2.352 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.747 -2.362 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.504 -0.819 3.997 1.00 0.00 H new ATOM 505 N LEU A 29 5.580 1.565 1.482 1.00 0.00 N ATOM 506 CA LEU A 29 5.347 2.480 0.320 1.00 0.00 C ATOM 507 C LEU A 29 6.656 3.176 -0.065 1.00 0.00 C ATOM 508 O LEU A 29 7.293 3.817 0.751 1.00 0.00 O ATOM 509 CB LEU A 29 4.313 3.508 0.798 1.00 0.00 C ATOM 510 CG LEU A 29 3.336 3.826 -0.342 1.00 0.00 C ATOM 511 CD1 LEU A 29 2.334 4.886 0.121 1.00 0.00 C ATOM 512 CD2 LEU A 29 4.104 4.357 -1.558 1.00 0.00 C ATOM 0 H LEU A 29 5.607 2.021 2.394 1.00 0.00 H new ATOM 0 HA LEU A 29 4.994 1.941 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.769 3.118 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.815 4.419 1.124 1.00 0.00 H new ATOM 0 HG LEU A 29 2.807 2.914 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.641 5.110 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.778 4.510 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.868 5.793 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.403 4.580 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.640 5.265 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.816 3.604 -1.896 1.00 0.00 H new ATOM 524 N LYS A 30 7.063 3.047 -1.304 1.00 0.00 N ATOM 525 CA LYS A 30 8.336 3.692 -1.754 1.00 0.00 C ATOM 526 C LYS A 30 8.081 5.128 -2.220 1.00 0.00 C ATOM 527 O LYS A 30 6.955 5.526 -2.452 1.00 0.00 O ATOM 528 CB LYS A 30 8.832 2.833 -2.922 1.00 0.00 C ATOM 529 CG LYS A 30 9.626 1.639 -2.385 1.00 0.00 C ATOM 530 CD LYS A 30 11.062 1.698 -2.912 1.00 0.00 C ATOM 531 CE LYS A 30 11.811 0.425 -2.503 1.00 0.00 C ATOM 532 NZ LYS A 30 13.199 0.597 -3.026 1.00 0.00 N ATOM 0 H LYS A 30 6.568 2.522 -2.025 1.00 0.00 H new ATOM 0 HA LYS A 30 9.067 3.749 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.986 2.483 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.459 3.430 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.627 1.651 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.153 0.707 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.058 1.797 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.571 2.576 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.812 0.300 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.339 -0.462 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.874 0.149 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.275 0.151 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.416 1.611 -3.107 1.00 0.00 H new ATOM 546 N SER A 31 9.127 5.907 -2.364 1.00 0.00 N ATOM 547 CA SER A 31 8.964 7.326 -2.820 1.00 0.00 C ATOM 548 C SER A 31 8.598 7.402 -4.313 1.00 0.00 C ATOM 549 O SER A 31 8.392 8.474 -4.845 1.00 0.00 O ATOM 550 CB SER A 31 10.327 7.978 -2.577 1.00 0.00 C ATOM 551 OG SER A 31 10.139 9.347 -2.243 1.00 0.00 O ATOM 0 H SER A 31 10.090 5.621 -2.185 1.00 0.00 H new ATOM 0 HA SER A 31 8.157 7.825 -2.283 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.851 7.464 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.949 7.891 -3.468 1.00 0.00 H new ATOM 0 HG SER A 31 11.010 9.768 -2.085 1.00 0.00 H new ATOM 557 N ASP A 32 8.511 6.281 -4.988 1.00 0.00 N ATOM 558 CA ASP A 32 8.157 6.297 -6.440 1.00 0.00 C ATOM 559 C ASP A 32 6.634 6.174 -6.631 1.00 0.00 C ATOM 560 O ASP A 32 6.127 6.321 -7.727 1.00 0.00 O ATOM 561 CB ASP A 32 8.884 5.075 -7.016 1.00 0.00 C ATOM 562 CG ASP A 32 8.397 4.783 -8.438 1.00 0.00 C ATOM 563 OD1 ASP A 32 8.840 5.467 -9.347 1.00 0.00 O ATOM 564 OD2 ASP A 32 7.595 3.876 -8.593 1.00 0.00 O ATOM 0 H ASP A 32 8.671 5.354 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 32 8.448 7.224 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.959 5.254 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.709 4.207 -6.380 1.00 0.00 H new ATOM 569 N GLY A 33 5.902 5.898 -5.579 1.00 0.00 N ATOM 570 CA GLY A 33 4.423 5.752 -5.708 1.00 0.00 C ATOM 571 C GLY A 33 4.089 4.270 -5.882 1.00 0.00 C ATOM 572 O GLY A 33 3.256 3.904 -6.689 1.00 0.00 O ATOM 0 H GLY A 33 6.268 5.768 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.926 6.150 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.060 6.324 -6.562 1.00 0.00 H new ATOM 576 N SER A 34 4.744 3.416 -5.136 1.00 0.00 N ATOM 577 CA SER A 34 4.482 1.952 -5.257 1.00 0.00 C ATOM 578 C SER A 34 4.395 1.307 -3.867 1.00 0.00 C ATOM 579 O SER A 34 5.330 1.360 -3.087 1.00 0.00 O ATOM 580 CB SER A 34 5.673 1.390 -6.046 1.00 0.00 C ATOM 581 OG SER A 34 6.860 2.108 -5.715 1.00 0.00 O ATOM 0 H SER A 34 5.451 3.672 -4.447 1.00 0.00 H new ATOM 0 HA SER A 34 3.536 1.746 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.803 0.332 -5.819 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.479 1.465 -7.116 1.00 0.00 H new ATOM 0 HG SER A 34 7.615 1.742 -6.221 1.00 0.00 H new ATOM 587 N PHE A 35 3.277 0.699 -3.558 1.00 0.00 N ATOM 588 CA PHE A 35 3.109 0.042 -2.226 1.00 0.00 C ATOM 589 C PHE A 35 3.437 -1.453 -2.331 1.00 0.00 C ATOM 590 O PHE A 35 2.839 -2.174 -3.103 1.00 0.00 O ATOM 591 CB PHE A 35 1.631 0.240 -1.869 1.00 0.00 C ATOM 592 CG PHE A 35 1.500 0.758 -0.454 1.00 0.00 C ATOM 593 CD1 PHE A 35 2.222 0.161 0.588 1.00 0.00 C ATOM 594 CD2 PHE A 35 0.650 1.838 -0.184 1.00 0.00 C ATOM 595 CE1 PHE A 35 2.093 0.643 1.895 1.00 0.00 C ATOM 596 CE2 PHE A 35 0.520 2.319 1.124 1.00 0.00 C ATOM 597 CZ PHE A 35 1.242 1.722 2.164 1.00 0.00 C ATOM 0 H PHE A 35 2.468 0.629 -4.176 1.00 0.00 H new ATOM 0 HA PHE A 35 3.772 0.464 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.172 0.942 -2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.095 -0.704 -1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.878 -0.672 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.094 2.300 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.650 0.182 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.137 3.151 1.331 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.143 2.093 3.173 1.00 0.00 H new ATOM 607 N ILE A 36 4.379 -1.924 -1.558 1.00 0.00 N ATOM 608 CA ILE A 36 4.737 -3.373 -1.616 1.00 0.00 C ATOM 609 C ILE A 36 4.203 -4.090 -0.369 1.00 0.00 C ATOM 610 O ILE A 36 4.481 -3.701 0.750 1.00 0.00 O ATOM 611 CB ILE A 36 6.272 -3.404 -1.667 1.00 0.00 C ATOM 612 CG1 ILE A 36 6.740 -3.189 -3.112 1.00 0.00 C ATOM 613 CG2 ILE A 36 6.787 -4.759 -1.173 1.00 0.00 C ATOM 614 CD1 ILE A 36 6.670 -1.700 -3.466 1.00 0.00 C ATOM 0 H ILE A 36 4.915 -1.370 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 36 4.304 -3.881 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 36 6.663 -2.613 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.761 -3.553 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.115 -3.764 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.876 -4.771 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.460 -4.920 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.392 -5.552 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.004 -1.554 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.643 -1.350 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.314 -1.135 -2.792 1.00 0.00 H new ATOM 626 N GLY A 37 3.438 -5.136 -0.561 1.00 0.00 N ATOM 627 CA GLY A 37 2.876 -5.892 0.598 1.00 0.00 C ATOM 628 C GLY A 37 3.637 -7.209 0.774 1.00 0.00 C ATOM 629 O GLY A 37 3.589 -8.081 -0.071 1.00 0.00 O ATOM 0 H GLY A 37 3.178 -5.500 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.951 -5.293 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.817 -6.092 0.435 1.00 0.00 H new ATOM 633 N TYR A 38 4.334 -7.358 1.872 1.00 0.00 N ATOM 634 CA TYR A 38 5.101 -8.619 2.118 1.00 0.00 C ATOM 635 C TYR A 38 4.340 -9.516 3.098 1.00 0.00 C ATOM 636 O TYR A 38 3.770 -9.042 4.063 1.00 0.00 O ATOM 637 CB TYR A 38 6.425 -8.165 2.747 1.00 0.00 C ATOM 638 CG TYR A 38 7.538 -8.241 1.730 1.00 0.00 C ATOM 639 CD1 TYR A 38 7.535 -7.386 0.621 1.00 0.00 C ATOM 640 CD2 TYR A 38 8.581 -9.160 1.900 1.00 0.00 C ATOM 641 CE1 TYR A 38 8.571 -7.450 -0.316 1.00 0.00 C ATOM 642 CE2 TYR A 38 9.619 -9.222 0.964 1.00 0.00 C ATOM 643 CZ TYR A 38 9.614 -8.366 -0.145 1.00 0.00 C ATOM 644 OH TYR A 38 10.638 -8.422 -1.069 1.00 0.00 O ATOM 0 H TYR A 38 4.406 -6.659 2.611 1.00 0.00 H new ATOM 0 HA TYR A 38 5.253 -9.191 1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.329 -7.144 3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.663 -8.794 3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.732 -6.676 0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.584 -9.821 2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.566 -6.792 -1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.424 -9.930 1.096 1.00 0.00 H new ATOM 0 HH TYR A 38 10.992 -9.335 -1.110 1.00 0.00 H new ATOM 654 N LYS A 39 4.346 -10.808 2.870 1.00 0.00 N ATOM 655 CA LYS A 39 3.640 -11.740 3.806 1.00 0.00 C ATOM 656 C LYS A 39 4.160 -11.522 5.232 1.00 0.00 C ATOM 657 O LYS A 39 3.398 -11.399 6.171 1.00 0.00 O ATOM 658 CB LYS A 39 3.993 -13.151 3.322 1.00 0.00 C ATOM 659 CG LYS A 39 2.930 -13.636 2.333 1.00 0.00 C ATOM 660 CD LYS A 39 2.739 -15.149 2.482 1.00 0.00 C ATOM 661 CE LYS A 39 2.022 -15.456 3.804 1.00 0.00 C ATOM 662 NZ LYS A 39 0.575 -15.207 3.537 1.00 0.00 N ATOM 0 H LYS A 39 4.808 -11.256 2.079 1.00 0.00 H new ATOM 0 HA LYS A 39 2.562 -11.578 3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.973 -13.148 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.053 -13.833 4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.987 -13.121 2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.232 -13.396 1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.158 -15.535 1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.706 -15.651 2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.193 -16.487 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.389 -14.817 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.165 -14.664 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.473 -14.667 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.077 -16.116 3.447 1.00 0.00 H new ATOM 676 N GLU A 40 5.459 -11.462 5.382 1.00 0.00 N ATOM 677 CA GLU A 40 6.064 -11.238 6.726 1.00 0.00 C ATOM 678 C GLU A 40 7.306 -10.349 6.586 1.00 0.00 C ATOM 679 O GLU A 40 7.593 -9.836 5.518 1.00 0.00 O ATOM 680 CB GLU A 40 6.450 -12.634 7.226 1.00 0.00 C ATOM 681 CG GLU A 40 5.993 -12.806 8.678 1.00 0.00 C ATOM 682 CD GLU A 40 5.979 -14.293 9.037 1.00 0.00 C ATOM 683 OE1 GLU A 40 7.032 -14.810 9.375 1.00 0.00 O ATOM 684 OE2 GLU A 40 4.916 -14.888 8.970 1.00 0.00 O ATOM 0 H GLU A 40 6.131 -11.560 4.621 1.00 0.00 H new ATOM 0 HA GLU A 40 5.384 -10.739 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.990 -13.396 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.529 -12.771 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.663 -12.266 9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.998 -12.380 8.810 1.00 0.00 H new ATOM 691 N ARG A 41 8.045 -10.163 7.649 1.00 0.00 N ATOM 692 CA ARG A 41 9.272 -9.312 7.563 1.00 0.00 C ATOM 693 C ARG A 41 10.392 -10.081 6.840 1.00 0.00 C ATOM 694 O ARG A 41 10.890 -9.618 5.833 1.00 0.00 O ATOM 695 CB ARG A 41 9.662 -8.992 9.012 1.00 0.00 C ATOM 696 CG ARG A 41 9.400 -7.505 9.274 1.00 0.00 C ATOM 697 CD ARG A 41 9.828 -7.134 10.696 1.00 0.00 C ATOM 698 NE ARG A 41 10.077 -5.659 10.645 1.00 0.00 N ATOM 699 CZ ARG A 41 9.868 -4.894 11.695 1.00 0.00 C ATOM 700 NH1 ARG A 41 9.474 -5.410 12.837 1.00 0.00 N ATOM 701 NH2 ARG A 41 10.062 -3.603 11.601 1.00 0.00 N ATOM 0 H ARG A 41 7.854 -10.561 8.569 1.00 0.00 H new ATOM 0 HA ARG A 41 9.100 -8.397 6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.084 -9.605 9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.713 -9.226 9.181 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.948 -6.899 8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.341 -7.285 9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.051 -7.380 11.420 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.725 -7.677 10.994 1.00 0.00 H new ATOM 0 HE ARG A 41 10.415 -5.239 9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.326 -6.416 12.918 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.316 -4.805 13.643 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.373 -3.197 10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.902 -3.003 12.410 1.00 0.00 H new ATOM 715 N PRO A 42 10.748 -11.239 7.364 1.00 0.00 N ATOM 716 CA PRO A 42 11.808 -12.060 6.730 1.00 0.00 C ATOM 717 C PRO A 42 11.231 -12.849 5.545 1.00 0.00 C ATOM 718 O PRO A 42 10.234 -13.533 5.674 1.00 0.00 O ATOM 719 CB PRO A 42 12.247 -13.004 7.845 1.00 0.00 C ATOM 720 CG PRO A 42 11.068 -13.112 8.765 1.00 0.00 C ATOM 721 CD PRO A 42 10.213 -11.882 8.574 1.00 0.00 C ATOM 0 HA PRO A 42 12.631 -11.466 6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.525 -13.980 7.447 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.119 -12.614 8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.495 -14.013 8.545 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.399 -13.189 9.801 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.162 -12.145 8.451 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.276 -11.218 9.436 1.00 0.00 H new ATOM 729 N GLU A 43 11.852 -12.759 4.395 1.00 0.00 N ATOM 730 CA GLU A 43 11.340 -13.505 3.201 1.00 0.00 C ATOM 731 C GLU A 43 12.494 -14.185 2.447 1.00 0.00 C ATOM 732 O GLU A 43 12.418 -14.413 1.254 1.00 0.00 O ATOM 733 CB GLU A 43 10.685 -12.437 2.325 1.00 0.00 C ATOM 734 CG GLU A 43 9.160 -12.504 2.475 1.00 0.00 C ATOM 735 CD GLU A 43 8.642 -13.870 2.004 1.00 0.00 C ATOM 736 OE1 GLU A 43 9.021 -14.289 0.921 1.00 0.00 O ATOM 737 OE2 GLU A 43 7.870 -14.469 2.735 1.00 0.00 O ATOM 0 H GLU A 43 12.691 -12.202 4.230 1.00 0.00 H new ATOM 0 HA GLU A 43 10.644 -14.296 3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.044 -11.449 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.964 -12.588 1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.882 -12.340 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.694 -11.709 1.892 1.00 0.00 H new ATOM 744 N ALA A 44 13.560 -14.506 3.138 1.00 0.00 N ATOM 745 CA ALA A 44 14.724 -15.167 2.477 1.00 0.00 C ATOM 746 C ALA A 44 15.668 -15.769 3.530 1.00 0.00 C ATOM 747 O ALA A 44 15.625 -15.392 4.687 1.00 0.00 O ATOM 748 CB ALA A 44 15.432 -14.048 1.710 1.00 0.00 C ATOM 0 H ALA A 44 13.673 -14.337 4.138 1.00 0.00 H new ATOM 0 HA ALA A 44 14.414 -15.983 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.302 -14.454 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.747 -13.617 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.752 -13.274 2.408 1.00 0.00 H new ATOM 754 N PRO A 45 16.503 -16.677 3.084 1.00 0.00 N ATOM 755 CA PRO A 45 17.484 -17.329 3.990 1.00 0.00 C ATOM 756 C PRO A 45 18.622 -16.356 4.334 1.00 0.00 C ATOM 757 O PRO A 45 19.060 -16.278 5.466 1.00 0.00 O ATOM 758 CB PRO A 45 18.000 -18.511 3.170 1.00 0.00 C ATOM 759 CG PRO A 45 17.784 -18.121 1.741 1.00 0.00 C ATOM 760 CD PRO A 45 16.607 -17.180 1.708 1.00 0.00 C ATOM 0 HA PRO A 45 17.052 -17.637 4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 45 19.054 -18.700 3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.460 -19.426 3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 45 18.673 -17.639 1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 45 17.590 -19.001 1.127 1.00 0.00 H new ATOM 0 HD2 PRO A 45 16.767 -16.368 0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 45 15.696 -17.694 1.403 1.00 0.00 H new ATOM 768 N ASP A 46 19.094 -15.610 3.362 1.00 0.00 N ATOM 769 CA ASP A 46 20.195 -14.633 3.620 1.00 0.00 C ATOM 770 C ASP A 46 19.737 -13.223 3.224 1.00 0.00 C ATOM 771 O ASP A 46 19.519 -12.375 4.070 1.00 0.00 O ATOM 772 CB ASP A 46 21.361 -15.099 2.739 1.00 0.00 C ATOM 773 CG ASP A 46 21.969 -16.377 3.324 1.00 0.00 C ATOM 774 OD1 ASP A 46 21.499 -17.447 2.973 1.00 0.00 O ATOM 775 OD2 ASP A 46 22.891 -16.263 4.114 1.00 0.00 O ATOM 0 H ASP A 46 18.761 -15.638 2.398 1.00 0.00 H new ATOM 0 HA ASP A 46 20.483 -14.593 4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 46 21.011 -15.283 1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 46 22.119 -14.318 2.679 1.00 0.00 H new ATOM 780 N GLN A 47 19.576 -12.969 1.946 1.00 0.00 N ATOM 781 CA GLN A 47 19.120 -11.616 1.496 1.00 0.00 C ATOM 782 C GLN A 47 18.540 -11.688 0.075 1.00 0.00 C ATOM 783 O GLN A 47 18.761 -10.815 -0.744 1.00 0.00 O ATOM 784 CB GLN A 47 20.374 -10.738 1.532 1.00 0.00 C ATOM 785 CG GLN A 47 20.033 -9.397 2.185 1.00 0.00 C ATOM 786 CD GLN A 47 19.541 -8.417 1.118 1.00 0.00 C ATOM 787 OE1 GLN A 47 20.315 -7.936 0.316 1.00 0.00 O ATOM 788 NE2 GLN A 47 18.276 -8.099 1.074 1.00 0.00 N ATOM 0 H GLN A 47 19.741 -13.641 1.196 1.00 0.00 H new ATOM 0 HA GLN A 47 18.330 -11.217 2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 47 21.166 -11.237 2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 47 20.750 -10.578 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.266 -9.537 2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 47 20.911 -8.992 2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.625 -8.503 1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.938 -7.447 0.366 1.00 0.00 H new ATOM 797 N THR A 48 17.798 -12.725 -0.215 1.00 0.00 N ATOM 798 CA THR A 48 17.196 -12.873 -1.575 1.00 0.00 C ATOM 799 C THR A 48 15.668 -12.962 -1.467 1.00 0.00 C ATOM 800 O THR A 48 15.043 -13.888 -1.951 1.00 0.00 O ATOM 801 CB THR A 48 17.805 -14.167 -2.126 1.00 0.00 C ATOM 802 OG1 THR A 48 17.436 -14.326 -3.487 1.00 0.00 O ATOM 803 CG2 THR A 48 17.315 -15.373 -1.316 1.00 0.00 C ATOM 0 H THR A 48 17.582 -13.480 0.435 1.00 0.00 H new ATOM 0 HA THR A 48 17.402 -12.026 -2.229 1.00 0.00 H new ATOM 0 HB THR A 48 18.890 -14.107 -2.047 1.00 0.00 H new ATOM 0 HG1 THR A 48 16.460 -14.378 -3.557 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.756 -16.285 -1.719 1.00 0.00 H new ATOM 0 HG22 THR A 48 17.612 -15.256 -0.274 1.00 0.00 H new ATOM 0 HG23 THR A 48 16.229 -15.436 -1.379 1.00 0.00 H new ATOM 811 N LEU A 49 15.069 -11.994 -0.830 1.00 0.00 N ATOM 812 CA LEU A 49 13.578 -12.000 -0.675 1.00 0.00 C ATOM 813 C LEU A 49 12.907 -11.228 -1.822 1.00 0.00 C ATOM 814 O LEU A 49 13.071 -10.028 -1.942 1.00 0.00 O ATOM 815 CB LEU A 49 13.280 -11.338 0.685 1.00 0.00 C ATOM 816 CG LEU A 49 14.010 -9.994 0.820 1.00 0.00 C ATOM 817 CD1 LEU A 49 13.025 -8.926 1.299 1.00 0.00 C ATOM 818 CD2 LEU A 49 15.141 -10.132 1.843 1.00 0.00 C ATOM 0 H LEU A 49 15.544 -11.196 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 49 13.182 -13.015 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.206 -11.184 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.587 -12.004 1.492 1.00 0.00 H new ATOM 0 HG LEU A 49 14.422 -9.705 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.542 -7.971 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.214 -8.829 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.616 -9.216 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.661 -9.179 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.725 -10.419 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.843 -10.896 1.509 1.00 0.00 H new ATOM 830 N PRO A 50 12.165 -11.949 -2.632 1.00 0.00 N ATOM 831 CA PRO A 50 11.457 -11.327 -3.779 1.00 0.00 C ATOM 832 C PRO A 50 10.182 -10.614 -3.304 1.00 0.00 C ATOM 833 O PRO A 50 9.701 -10.872 -2.215 1.00 0.00 O ATOM 834 CB PRO A 50 11.108 -12.515 -4.670 1.00 0.00 C ATOM 835 CG PRO A 50 11.052 -13.697 -3.753 1.00 0.00 C ATOM 836 CD PRO A 50 11.923 -13.397 -2.559 1.00 0.00 C ATOM 0 HA PRO A 50 12.055 -10.573 -4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.153 -12.362 -5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.858 -12.656 -5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.026 -13.888 -3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.401 -14.594 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.427 -13.670 -1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.857 -13.958 -2.599 1.00 0.00 H new ATOM 844 N PRO A 51 9.672 -9.741 -4.139 1.00 0.00 N ATOM 845 CA PRO A 51 8.434 -8.992 -3.795 1.00 0.00 C ATOM 846 C PRO A 51 7.206 -9.907 -3.900 1.00 0.00 C ATOM 847 O PRO A 51 7.027 -10.610 -4.878 1.00 0.00 O ATOM 848 CB PRO A 51 8.382 -7.885 -4.846 1.00 0.00 C ATOM 849 CG PRO A 51 9.162 -8.414 -6.009 1.00 0.00 C ATOM 850 CD PRO A 51 10.191 -9.369 -5.463 1.00 0.00 C ATOM 0 HA PRO A 51 8.436 -8.605 -2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.354 -7.660 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.818 -6.961 -4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.503 -8.921 -6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.643 -7.600 -6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.305 -10.242 -6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.171 -8.898 -5.389 1.00 0.00 H new ATOM 858 N LEU A 52 6.363 -9.904 -2.897 1.00 0.00 N ATOM 859 CA LEU A 52 5.145 -10.774 -2.933 1.00 0.00 C ATOM 860 C LEU A 52 3.949 -9.992 -3.492 1.00 0.00 C ATOM 861 O LEU A 52 3.354 -10.381 -4.478 1.00 0.00 O ATOM 862 CB LEU A 52 4.897 -11.185 -1.478 1.00 0.00 C ATOM 863 CG LEU A 52 5.457 -12.592 -1.250 1.00 0.00 C ATOM 864 CD1 LEU A 52 5.961 -12.723 0.188 1.00 0.00 C ATOM 865 CD2 LEU A 52 4.357 -13.626 -1.499 1.00 0.00 C ATOM 0 H LEU A 52 6.465 -9.337 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 52 5.280 -11.643 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.374 -10.477 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.829 -11.166 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 52 6.284 -12.764 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.358 -13.726 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.747 -11.989 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.137 -12.547 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.756 -14.627 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.529 -13.449 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.001 -13.539 -2.526 1.00 0.00 H new ATOM 877 N ASN A 53 3.600 -8.887 -2.879 1.00 0.00 N ATOM 878 CA ASN A 53 2.451 -8.075 -3.386 1.00 0.00 C ATOM 879 C ASN A 53 2.957 -6.707 -3.859 1.00 0.00 C ATOM 880 O ASN A 53 3.669 -6.024 -3.148 1.00 0.00 O ATOM 881 CB ASN A 53 1.504 -7.919 -2.190 1.00 0.00 C ATOM 882 CG ASN A 53 0.076 -8.288 -2.604 1.00 0.00 C ATOM 883 OD1 ASN A 53 -0.560 -9.107 -1.968 1.00 0.00 O ATOM 884 ND2 ASN A 53 -0.466 -7.714 -3.647 1.00 0.00 N ATOM 0 H ASN A 53 4.061 -8.513 -2.050 1.00 0.00 H new ATOM 0 HA ASN A 53 1.949 -8.546 -4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.831 -8.559 -1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.532 -6.893 -1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.418 -7.954 -3.924 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.063 -7.027 -4.183 1.00 0.00 H new ATOM 891 N ASN A 54 2.602 -6.307 -5.055 1.00 0.00 N ATOM 892 CA ASN A 54 3.074 -4.988 -5.574 1.00 0.00 C ATOM 893 C ASN A 54 1.886 -4.088 -5.939 1.00 0.00 C ATOM 894 O ASN A 54 0.967 -4.502 -6.622 1.00 0.00 O ATOM 895 CB ASN A 54 3.898 -5.326 -6.819 1.00 0.00 C ATOM 896 CG ASN A 54 5.036 -4.314 -6.971 1.00 0.00 C ATOM 897 OD1 ASN A 54 4.991 -3.459 -7.832 1.00 0.00 O ATOM 898 ND2 ASN A 54 6.061 -4.374 -6.165 1.00 0.00 N ATOM 0 H ASN A 54 2.007 -6.836 -5.692 1.00 0.00 H new ATOM 0 HA ASN A 54 3.656 -4.442 -4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.303 -6.335 -6.737 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.262 -5.309 -7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.823 -3.703 -6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.100 -5.092 -5.441 1.00 0.00 H new ATOM 905 N PHE A 55 1.904 -2.860 -5.484 1.00 0.00 N ATOM 906 CA PHE A 55 0.786 -1.916 -5.794 1.00 0.00 C ATOM 907 C PHE A 55 1.332 -0.643 -6.450 1.00 0.00 C ATOM 908 O PHE A 55 2.230 -0.009 -5.933 1.00 0.00 O ATOM 909 CB PHE A 55 0.158 -1.571 -4.438 1.00 0.00 C ATOM 910 CG PHE A 55 -0.527 -2.794 -3.870 1.00 0.00 C ATOM 911 CD1 PHE A 55 -1.749 -3.223 -4.404 1.00 0.00 C ATOM 912 CD2 PHE A 55 0.060 -3.500 -2.813 1.00 0.00 C ATOM 913 CE1 PHE A 55 -2.381 -4.357 -3.883 1.00 0.00 C ATOM 914 CE2 PHE A 55 -0.572 -4.634 -2.292 1.00 0.00 C ATOM 915 CZ PHE A 55 -1.791 -5.062 -2.826 1.00 0.00 C ATOM 0 H PHE A 55 2.649 -2.469 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 55 0.065 -2.357 -6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.926 -1.219 -3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.561 -0.760 -4.555 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.203 -2.678 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.001 -3.169 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.323 -4.689 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.118 -5.179 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.279 -5.937 -2.423 1.00 0.00 H new ATOM 925 N SER A 56 0.789 -0.258 -7.576 1.00 0.00 N ATOM 926 CA SER A 56 1.272 0.986 -8.250 1.00 0.00 C ATOM 927 C SER A 56 0.274 2.123 -8.003 1.00 0.00 C ATOM 928 O SER A 56 -0.899 2.009 -8.312 1.00 0.00 O ATOM 929 CB SER A 56 1.349 0.641 -9.739 1.00 0.00 C ATOM 930 OG SER A 56 2.508 -0.146 -9.977 1.00 0.00 O ATOM 0 H SER A 56 0.035 -0.748 -8.057 1.00 0.00 H new ATOM 0 HA SER A 56 2.239 1.317 -7.872 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.456 0.096 -10.045 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.386 1.553 -10.334 1.00 0.00 H new ATOM 0 HG SER A 56 2.561 -0.371 -10.929 1.00 0.00 H new ATOM 936 N VAL A 57 0.733 3.214 -7.442 1.00 0.00 N ATOM 937 CA VAL A 57 -0.183 4.364 -7.162 1.00 0.00 C ATOM 938 C VAL A 57 0.491 5.691 -7.557 1.00 0.00 C ATOM 939 O VAL A 57 0.755 6.544 -6.728 1.00 0.00 O ATOM 940 CB VAL A 57 -0.472 4.289 -5.649 1.00 0.00 C ATOM 941 CG1 VAL A 57 0.837 4.316 -4.850 1.00 0.00 C ATOM 942 CG2 VAL A 57 -1.351 5.473 -5.227 1.00 0.00 C ATOM 0 H VAL A 57 1.704 3.359 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.107 4.316 -7.738 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.994 3.354 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.614 4.262 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.455 3.464 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.374 5.241 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.552 5.414 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.834 6.407 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.293 5.441 -5.775 1.00 0.00 H new ATOM 952 N ALA A 58 0.762 5.873 -8.824 1.00 0.00 N ATOM 953 CA ALA A 58 1.406 7.143 -9.281 1.00 0.00 C ATOM 954 C ALA A 58 0.338 8.232 -9.445 1.00 0.00 C ATOM 955 O ALA A 58 0.456 9.314 -8.901 1.00 0.00 O ATOM 956 CB ALA A 58 2.052 6.806 -10.628 1.00 0.00 C ATOM 0 H ALA A 58 0.565 5.197 -9.563 1.00 0.00 H new ATOM 0 HA ALA A 58 2.142 7.518 -8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.546 7.692 -11.027 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.786 6.012 -10.491 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.284 6.473 -11.327 1.00 0.00 H new ATOM 962 N GLU A 59 -0.707 7.945 -10.181 1.00 0.00 N ATOM 963 CA GLU A 59 -1.795 8.949 -10.378 1.00 0.00 C ATOM 964 C GLU A 59 -3.152 8.321 -10.024 1.00 0.00 C ATOM 965 O GLU A 59 -4.031 8.201 -10.857 1.00 0.00 O ATOM 966 CB GLU A 59 -1.726 9.322 -11.864 1.00 0.00 C ATOM 967 CG GLU A 59 -2.019 10.817 -12.034 1.00 0.00 C ATOM 968 CD GLU A 59 -3.171 11.006 -13.023 1.00 0.00 C ATOM 969 OE1 GLU A 59 -4.309 10.827 -12.620 1.00 0.00 O ATOM 970 OE2 GLU A 59 -2.895 11.329 -14.168 1.00 0.00 O ATOM 0 H GLU A 59 -0.853 7.054 -10.656 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.680 9.827 -9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.739 9.087 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.447 8.733 -12.431 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.277 11.259 -11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.129 11.333 -12.394 1.00 0.00 H new ATOM 977 N CYS A 60 -3.324 7.915 -8.789 1.00 0.00 N ATOM 978 CA CYS A 60 -4.618 7.289 -8.370 1.00 0.00 C ATOM 979 C CYS A 60 -5.235 8.068 -7.200 1.00 0.00 C ATOM 980 O CYS A 60 -4.565 8.816 -6.513 1.00 0.00 O ATOM 981 CB CYS A 60 -4.253 5.864 -7.942 1.00 0.00 C ATOM 982 SG CYS A 60 -5.600 4.733 -8.376 1.00 0.00 S ATOM 0 H CYS A 60 -2.623 7.990 -8.052 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.356 7.294 -9.172 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.331 5.552 -8.432 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.070 5.832 -6.868 1.00 0.00 H new ATOM 987 N GLN A 61 -6.512 7.894 -6.971 1.00 0.00 N ATOM 988 CA GLN A 61 -7.189 8.622 -5.853 1.00 0.00 C ATOM 989 C GLN A 61 -7.228 7.755 -4.586 1.00 0.00 C ATOM 990 O GLN A 61 -7.474 6.564 -4.644 1.00 0.00 O ATOM 991 CB GLN A 61 -8.604 8.894 -6.371 1.00 0.00 C ATOM 992 CG GLN A 61 -9.441 9.579 -5.285 1.00 0.00 C ATOM 993 CD GLN A 61 -10.556 8.634 -4.827 1.00 0.00 C ATOM 994 OE1 GLN A 61 -11.164 7.954 -5.631 1.00 0.00 O ATOM 995 NE2 GLN A 61 -10.855 8.561 -3.559 1.00 0.00 N ATOM 0 H GLN A 61 -7.118 7.277 -7.512 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.667 9.539 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.559 9.525 -7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.077 7.958 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.808 9.849 -4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.869 10.504 -5.671 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.347 9.130 -2.882 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.597 7.935 -3.245 1.00 0.00 H new ATOM 1004 N LEU A 62 -6.994 8.352 -3.442 1.00 0.00 N ATOM 1005 CA LEU A 62 -7.017 7.579 -2.159 1.00 0.00 C ATOM 1006 C LEU A 62 -8.270 7.937 -1.349 1.00 0.00 C ATOM 1007 O LEU A 62 -8.771 9.045 -1.422 1.00 0.00 O ATOM 1008 CB LEU A 62 -5.753 8.014 -1.405 1.00 0.00 C ATOM 1009 CG LEU A 62 -4.872 6.796 -1.092 1.00 0.00 C ATOM 1010 CD1 LEU A 62 -5.680 5.751 -0.315 1.00 0.00 C ATOM 1011 CD2 LEU A 62 -4.360 6.181 -2.398 1.00 0.00 C ATOM 0 H LEU A 62 -6.787 9.346 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.040 6.503 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.193 8.732 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.029 8.519 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.025 7.116 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.048 4.890 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.035 6.186 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.533 5.432 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.735 5.317 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.206 5.867 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.774 6.921 -2.943 1.00 0.00 H new ATOM 1023 N MET A 63 -8.780 7.007 -0.582 1.00 0.00 N ATOM 1024 CA MET A 63 -10.003 7.286 0.231 1.00 0.00 C ATOM 1025 C MET A 63 -9.912 6.608 1.604 1.00 0.00 C ATOM 1026 O MET A 63 -9.502 5.468 1.718 1.00 0.00 O ATOM 1027 CB MET A 63 -11.157 6.693 -0.583 1.00 0.00 C ATOM 1028 CG MET A 63 -12.495 7.110 0.033 1.00 0.00 C ATOM 1029 SD MET A 63 -12.688 8.905 -0.094 1.00 0.00 S ATOM 1030 CE MET A 63 -13.420 9.168 1.539 1.00 0.00 C ATOM 0 H MET A 63 -8.402 6.065 -0.483 1.00 0.00 H new ATOM 0 HA MET A 63 -10.133 8.352 0.420 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.099 7.036 -1.616 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.079 5.606 -0.603 1.00 0.00 H new ATOM 0 HG2 MET A 63 -13.315 6.609 -0.481 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.538 6.802 1.078 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.511 10.237 1.729 1.00 0.00 H new ATOM 0 HE2 MET A 63 -14.408 8.708 1.573 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.783 8.717 2.300 1.00 0.00 H new ATOM 1040 N LYS A 64 -10.312 7.297 2.645 1.00 0.00 N ATOM 1041 CA LYS A 64 -10.270 6.693 4.015 1.00 0.00 C ATOM 1042 C LYS A 64 -11.684 6.257 4.432 1.00 0.00 C ATOM 1043 O LYS A 64 -12.641 6.992 4.269 1.00 0.00 O ATOM 1044 CB LYS A 64 -9.734 7.799 4.941 1.00 0.00 C ATOM 1045 CG LYS A 64 -10.705 8.987 4.975 1.00 0.00 C ATOM 1046 CD LYS A 64 -9.942 10.289 4.707 1.00 0.00 C ATOM 1047 CE LYS A 64 -9.537 10.936 6.037 1.00 0.00 C ATOM 1048 NZ LYS A 64 -10.769 11.614 6.540 1.00 0.00 N ATOM 0 H LYS A 64 -10.666 8.253 2.606 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.637 5.807 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.597 7.404 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.756 8.131 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.486 8.852 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.199 9.037 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.056 10.085 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.565 10.975 4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.183 10.188 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.726 11.650 5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.578 12.628 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.538 11.494 5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.050 11.193 7.448 1.00 0.00 H new ATOM 1062 N THR A 65 -11.828 5.063 4.951 1.00 0.00 N ATOM 1063 CA THR A 65 -13.188 4.582 5.355 1.00 0.00 C ATOM 1064 C THR A 65 -13.108 3.629 6.559 1.00 0.00 C ATOM 1065 O THR A 65 -12.042 3.321 7.056 1.00 0.00 O ATOM 1066 CB THR A 65 -13.731 3.858 4.113 1.00 0.00 C ATOM 1067 OG1 THR A 65 -15.087 3.489 4.332 1.00 0.00 O ATOM 1068 CG2 THR A 65 -12.897 2.604 3.826 1.00 0.00 C ATOM 0 H THR A 65 -11.068 4.402 5.112 1.00 0.00 H new ATOM 0 HA THR A 65 -13.834 5.402 5.669 1.00 0.00 H new ATOM 0 HB THR A 65 -13.669 4.529 3.256 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.433 3.029 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.291 2.099 2.944 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.860 2.889 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.946 1.931 4.682 1.00 0.00 H new ATOM 1076 N GLU A 66 -14.243 3.166 7.027 1.00 0.00 N ATOM 1077 CA GLU A 66 -14.264 2.233 8.197 1.00 0.00 C ATOM 1078 C GLU A 66 -15.082 0.970 7.870 1.00 0.00 C ATOM 1079 O GLU A 66 -15.672 0.358 8.745 1.00 0.00 O ATOM 1080 CB GLU A 66 -14.917 3.035 9.334 1.00 0.00 C ATOM 1081 CG GLU A 66 -16.386 3.332 9.000 1.00 0.00 C ATOM 1082 CD GLU A 66 -16.507 4.738 8.407 1.00 0.00 C ATOM 1083 OE1 GLU A 66 -16.549 5.683 9.176 1.00 0.00 O ATOM 1084 OE2 GLU A 66 -16.558 4.844 7.191 1.00 0.00 O ATOM 0 H GLU A 66 -15.161 3.396 6.646 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.266 1.889 8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.855 2.474 10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.376 3.969 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.764 2.595 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.997 3.253 9.899 1.00 0.00 H new ATOM 1091 N ARG A 67 -15.112 0.572 6.622 1.00 0.00 N ATOM 1092 CA ARG A 67 -15.878 -0.652 6.235 1.00 0.00 C ATOM 1093 C ARG A 67 -15.003 -1.553 5.352 1.00 0.00 C ATOM 1094 O ARG A 67 -14.275 -1.060 4.510 1.00 0.00 O ATOM 1095 CB ARG A 67 -17.084 -0.134 5.444 1.00 0.00 C ATOM 1096 CG ARG A 67 -18.375 -0.442 6.211 1.00 0.00 C ATOM 1097 CD ARG A 67 -18.529 0.541 7.377 1.00 0.00 C ATOM 1098 NE ARG A 67 -18.475 -0.303 8.610 1.00 0.00 N ATOM 1099 CZ ARG A 67 -19.561 -0.873 9.094 1.00 0.00 C ATOM 1100 NH1 ARG A 67 -20.723 -0.730 8.498 1.00 0.00 N ATOM 1101 NH2 ARG A 67 -19.482 -1.593 10.183 1.00 0.00 N ATOM 0 H ARG A 67 -14.637 1.044 5.853 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.184 -1.243 7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.992 0.940 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -17.114 -0.602 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.233 -0.367 5.543 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.352 -1.465 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.732 1.284 7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.472 1.084 7.312 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.583 -0.440 9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.795 -0.171 7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.553 -1.178 8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.584 -1.711 10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -20.318 -2.037 10.563 1.00 0.00 H new ATOM 1115 N PRO A 68 -15.096 -2.852 5.559 1.00 0.00 N ATOM 1116 CA PRO A 68 -15.999 -3.430 6.598 1.00 0.00 C ATOM 1117 C PRO A 68 -15.442 -3.220 8.020 1.00 0.00 C ATOM 1118 O PRO A 68 -16.177 -3.281 8.989 1.00 0.00 O ATOM 1119 CB PRO A 68 -16.026 -4.917 6.257 1.00 0.00 C ATOM 1120 CG PRO A 68 -14.745 -5.175 5.531 1.00 0.00 C ATOM 1121 CD PRO A 68 -14.368 -3.897 4.829 1.00 0.00 C ATOM 0 HA PRO A 68 -16.983 -2.962 6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.098 -5.526 7.158 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.887 -5.163 5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.962 -5.478 6.227 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.866 -5.987 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.292 -3.728 4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.655 -3.921 3.778 1.00 0.00 H new ATOM 1129 N ARG A 69 -14.157 -2.981 8.153 1.00 0.00 N ATOM 1130 CA ARG A 69 -13.562 -2.773 9.513 1.00 0.00 C ATOM 1131 C ARG A 69 -13.130 -1.310 9.680 1.00 0.00 C ATOM 1132 O ARG A 69 -12.992 -0.598 8.707 1.00 0.00 O ATOM 1133 CB ARG A 69 -12.344 -3.701 9.573 1.00 0.00 C ATOM 1134 CG ARG A 69 -12.807 -5.164 9.621 1.00 0.00 C ATOM 1135 CD ARG A 69 -12.979 -5.609 11.080 1.00 0.00 C ATOM 1136 NE ARG A 69 -14.344 -5.135 11.476 1.00 0.00 N ATOM 1137 CZ ARG A 69 -15.368 -5.962 11.564 1.00 0.00 C ATOM 1138 NH1 ARG A 69 -15.233 -7.244 11.314 1.00 0.00 N ATOM 1139 NH2 ARG A 69 -16.541 -5.496 11.905 1.00 0.00 N ATOM 0 H ARG A 69 -13.496 -2.921 7.379 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.274 -2.992 10.309 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.709 -3.539 8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.743 -3.471 10.453 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.749 -5.274 9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.079 -5.802 9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.895 -6.692 11.174 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.210 -5.173 11.718 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.485 -4.146 11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.323 -7.618 11.046 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.038 -7.866 11.388 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.658 -4.502 12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -17.339 -6.127 11.976 1.00 0.00 H new ATOM 1153 N PRO A 70 -12.930 -0.906 10.912 1.00 0.00 N ATOM 1154 CA PRO A 70 -12.513 0.495 11.197 1.00 0.00 C ATOM 1155 C PRO A 70 -11.076 0.752 10.716 1.00 0.00 C ATOM 1156 O PRO A 70 -10.304 -0.169 10.517 1.00 0.00 O ATOM 1157 CB PRO A 70 -12.611 0.593 12.719 1.00 0.00 C ATOM 1158 CG PRO A 70 -12.470 -0.813 13.204 1.00 0.00 C ATOM 1159 CD PRO A 70 -13.064 -1.699 12.142 1.00 0.00 C ATOM 0 HA PRO A 70 -13.129 1.234 10.685 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.827 1.232 13.125 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.564 1.024 13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.422 -1.061 13.373 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.987 -0.948 14.154 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -12.531 -2.647 12.067 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.107 -1.935 12.355 1.00 0.00 H new ATOM 1167 N ASN A 71 -10.723 2.007 10.525 1.00 0.00 N ATOM 1168 CA ASN A 71 -9.343 2.361 10.051 1.00 0.00 C ATOM 1169 C ASN A 71 -9.030 1.634 8.736 1.00 0.00 C ATOM 1170 O ASN A 71 -8.131 0.816 8.664 1.00 0.00 O ATOM 1171 CB ASN A 71 -8.388 1.908 11.167 1.00 0.00 C ATOM 1172 CG ASN A 71 -8.617 2.748 12.429 1.00 0.00 C ATOM 1173 OD1 ASN A 71 -8.978 3.905 12.352 1.00 0.00 O ATOM 1174 ND2 ASN A 71 -8.413 2.207 13.598 1.00 0.00 N ATOM 0 H ASN A 71 -11.338 2.806 10.679 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.243 3.428 9.854 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.549 0.853 11.389 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.355 2.010 10.836 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.557 2.756 14.446 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.110 1.235 13.664 1.00 0.00 H new ATOM 1181 N THR A 72 -9.775 1.918 7.697 1.00 0.00 N ATOM 1182 CA THR A 72 -9.536 1.234 6.389 1.00 0.00 C ATOM 1183 C THR A 72 -9.240 2.249 5.278 1.00 0.00 C ATOM 1184 O THR A 72 -9.628 3.403 5.344 1.00 0.00 O ATOM 1185 CB THR A 72 -10.837 0.473 6.104 1.00 0.00 C ATOM 1186 OG1 THR A 72 -10.962 -0.608 7.022 1.00 0.00 O ATOM 1187 CG2 THR A 72 -10.826 -0.073 4.673 1.00 0.00 C ATOM 0 H THR A 72 -10.539 2.594 7.698 1.00 0.00 H new ATOM 0 HA THR A 72 -8.671 0.572 6.427 1.00 0.00 H new ATOM 0 HB THR A 72 -11.680 1.154 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.533 -0.337 7.771 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.754 -0.611 4.482 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.734 0.754 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.981 -0.751 4.549 1.00 0.00 H new ATOM 1195 N PHE A 73 -8.554 1.810 4.252 1.00 0.00 N ATOM 1196 CA PHE A 73 -8.213 2.712 3.115 1.00 0.00 C ATOM 1197 C PHE A 73 -8.693 2.093 1.795 1.00 0.00 C ATOM 1198 O PHE A 73 -8.653 0.888 1.614 1.00 0.00 O ATOM 1199 CB PHE A 73 -6.685 2.802 3.126 1.00 0.00 C ATOM 1200 CG PHE A 73 -6.245 4.125 3.708 1.00 0.00 C ATOM 1201 CD1 PHE A 73 -6.691 5.327 3.141 1.00 0.00 C ATOM 1202 CD2 PHE A 73 -5.386 4.150 4.812 1.00 0.00 C ATOM 1203 CE1 PHE A 73 -6.278 6.551 3.680 1.00 0.00 C ATOM 1204 CE2 PHE A 73 -4.973 5.374 5.350 1.00 0.00 C ATOM 1205 CZ PHE A 73 -5.418 6.573 4.785 1.00 0.00 C ATOM 0 H PHE A 73 -8.213 0.854 4.155 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.684 3.691 3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.269 1.982 3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.300 2.696 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.353 5.309 2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.042 3.224 5.249 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.622 7.477 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.310 5.393 6.202 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.098 7.517 5.201 1.00 0.00 H new ATOM 1215 N VAL A 74 -9.139 2.908 0.876 1.00 0.00 N ATOM 1216 CA VAL A 74 -9.618 2.384 -0.440 1.00 0.00 C ATOM 1217 C VAL A 74 -9.074 3.263 -1.572 1.00 0.00 C ATOM 1218 O VAL A 74 -9.300 4.457 -1.598 1.00 0.00 O ATOM 1219 CB VAL A 74 -11.148 2.466 -0.374 1.00 0.00 C ATOM 1220 CG1 VAL A 74 -11.746 2.057 -1.722 1.00 0.00 C ATOM 1221 CG2 VAL A 74 -11.670 1.521 0.713 1.00 0.00 C ATOM 0 H VAL A 74 -9.193 3.921 0.980 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.282 1.365 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.439 3.490 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.833 2.117 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.382 2.728 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.449 1.035 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.757 1.582 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.373 0.499 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.251 1.809 1.677 1.00 0.00 H new ATOM 1231 N ILE A 75 -8.359 2.688 -2.505 1.00 0.00 N ATOM 1232 CA ILE A 75 -7.807 3.507 -3.630 1.00 0.00 C ATOM 1233 C ILE A 75 -8.537 3.177 -4.940 1.00 0.00 C ATOM 1234 O ILE A 75 -8.563 2.046 -5.387 1.00 0.00 O ATOM 1235 CB ILE A 75 -6.307 3.159 -3.709 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -5.683 3.860 -4.921 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -6.107 1.647 -3.845 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -4.159 3.875 -4.781 1.00 0.00 C ATOM 0 H ILE A 75 -8.134 1.694 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.946 4.575 -3.465 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.825 3.496 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.968 3.344 -5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.061 4.880 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.041 1.424 -3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.540 1.144 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.598 1.295 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.719 4.374 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.882 4.410 -3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.789 2.851 -4.726 1.00 0.00 H new ATOM 1250 N ARG A 76 -9.137 4.167 -5.552 1.00 0.00 N ATOM 1251 CA ARG A 76 -9.873 3.934 -6.830 1.00 0.00 C ATOM 1252 C ARG A 76 -9.333 4.864 -7.923 1.00 0.00 C ATOM 1253 O ARG A 76 -9.408 6.073 -7.812 1.00 0.00 O ATOM 1254 CB ARG A 76 -11.334 4.264 -6.510 1.00 0.00 C ATOM 1255 CG ARG A 76 -12.207 4.003 -7.743 1.00 0.00 C ATOM 1256 CD ARG A 76 -13.456 4.891 -7.683 1.00 0.00 C ATOM 1257 NE ARG A 76 -13.341 5.817 -8.854 1.00 0.00 N ATOM 1258 CZ ARG A 76 -13.944 6.988 -8.851 1.00 0.00 C ATOM 1259 NH1 ARG A 76 -14.651 7.379 -7.819 1.00 0.00 N ATOM 1260 NH2 ARG A 76 -13.838 7.771 -9.893 1.00 0.00 N ATOM 0 H ARG A 76 -9.148 5.131 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.760 2.914 -7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.679 3.656 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.422 5.307 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.643 4.212 -8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.496 2.953 -7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.366 4.294 -7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.499 5.446 -6.746 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.789 5.537 -9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.740 6.774 -7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.112 8.289 -7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.291 7.473 -10.701 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.302 8.679 -9.898 1.00 0.00 H new ATOM 1274 N CYS A 77 -8.793 4.308 -8.977 1.00 0.00 N ATOM 1275 CA CYS A 77 -8.251 5.163 -10.079 1.00 0.00 C ATOM 1276 C CYS A 77 -9.387 5.652 -10.987 1.00 0.00 C ATOM 1277 O CYS A 77 -10.477 5.106 -10.987 1.00 0.00 O ATOM 1278 CB CYS A 77 -7.285 4.260 -10.853 1.00 0.00 C ATOM 1279 SG CYS A 77 -5.579 4.672 -10.396 1.00 0.00 S ATOM 0 H CYS A 77 -8.703 3.303 -9.123 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.752 6.054 -9.698 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.490 3.213 -10.630 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.428 4.391 -11.926 1.00 0.00 H new ATOM 1284 N LEU A 78 -9.138 6.684 -11.756 1.00 0.00 N ATOM 1285 CA LEU A 78 -10.199 7.224 -12.666 1.00 0.00 C ATOM 1286 C LEU A 78 -10.586 6.182 -13.728 1.00 0.00 C ATOM 1287 O LEU A 78 -9.751 5.678 -14.453 1.00 0.00 O ATOM 1288 CB LEU A 78 -9.592 8.478 -13.317 1.00 0.00 C ATOM 1289 CG LEU A 78 -8.304 8.123 -14.074 1.00 0.00 C ATOM 1290 CD1 LEU A 78 -8.479 8.436 -15.562 1.00 0.00 C ATOM 1291 CD2 LEU A 78 -7.141 8.949 -13.517 1.00 0.00 C ATOM 0 H LEU A 78 -8.246 7.177 -11.794 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.113 7.463 -12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.313 8.923 -14.003 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.377 9.224 -12.552 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.093 7.061 -13.948 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.564 8.183 -16.097 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.307 7.850 -15.962 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.691 9.498 -15.688 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.226 8.698 -14.054 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.355 10.010 -13.643 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.012 8.728 -12.457 1.00 0.00 H new ATOM 1303 N GLN A 79 -11.852 5.862 -13.814 1.00 0.00 N ATOM 1304 CA GLN A 79 -12.319 4.857 -14.820 1.00 0.00 C ATOM 1305 C GLN A 79 -13.766 5.157 -15.227 1.00 0.00 C ATOM 1306 O GLN A 79 -14.063 5.362 -16.388 1.00 0.00 O ATOM 1307 CB GLN A 79 -12.233 3.502 -14.109 1.00 0.00 C ATOM 1308 CG GLN A 79 -10.890 2.833 -14.420 1.00 0.00 C ATOM 1309 CD GLN A 79 -10.196 2.442 -13.112 1.00 0.00 C ATOM 1310 OE1 GLN A 79 -9.116 2.916 -12.819 1.00 0.00 O ATOM 1311 NE2 GLN A 79 -10.772 1.590 -12.309 1.00 0.00 N ATOM 0 H GLN A 79 -12.588 6.256 -13.227 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.718 4.875 -15.729 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.340 3.639 -13.033 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.052 2.860 -14.432 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.047 1.949 -15.038 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.257 3.513 -14.990 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.678 1.191 -12.554 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.316 1.323 -11.437 1.00 0.00 H new ATOM 1320 N TRP A 80 -14.668 5.188 -14.275 1.00 0.00 N ATOM 1321 CA TRP A 80 -16.097 5.480 -14.595 1.00 0.00 C ATOM 1322 C TRP A 80 -16.636 6.551 -13.632 1.00 0.00 C ATOM 1323 O TRP A 80 -16.415 7.731 -13.831 1.00 0.00 O ATOM 1324 CB TRP A 80 -16.826 4.140 -14.418 1.00 0.00 C ATOM 1325 CG TRP A 80 -16.459 3.213 -15.534 1.00 0.00 C ATOM 1326 CD1 TRP A 80 -15.702 2.100 -15.400 1.00 0.00 C ATOM 1327 CD2 TRP A 80 -16.818 3.297 -16.944 1.00 0.00 C ATOM 1328 NE1 TRP A 80 -15.573 1.495 -16.638 1.00 0.00 N ATOM 1329 CE2 TRP A 80 -16.244 2.196 -17.622 1.00 0.00 C ATOM 1330 CE3 TRP A 80 -17.578 4.213 -17.693 1.00 0.00 C ATOM 1331 CZ2 TRP A 80 -16.417 2.009 -18.994 1.00 0.00 C ATOM 1332 CZ3 TRP A 80 -17.755 4.029 -19.074 1.00 0.00 C ATOM 1333 CH2 TRP A 80 -17.175 2.929 -19.723 1.00 0.00 C ATOM 0 H TRP A 80 -14.473 5.023 -13.288 1.00 0.00 H new ATOM 0 HA TRP A 80 -16.236 5.872 -15.603 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -16.559 3.694 -13.460 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -17.904 4.301 -14.406 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -15.269 1.742 -14.478 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -15.047 0.637 -16.804 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -18.028 5.064 -17.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -15.969 1.160 -19.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -18.341 4.738 -19.639 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -17.314 2.793 -20.785 1.00 0.00 H new ATOM 1344 N THR A 81 -17.328 6.159 -12.586 1.00 0.00 N ATOM 1345 CA THR A 81 -17.866 7.162 -11.613 1.00 0.00 C ATOM 1346 C THR A 81 -17.923 6.544 -10.212 1.00 0.00 C ATOM 1347 O THR A 81 -17.276 7.011 -9.293 1.00 0.00 O ATOM 1348 CB THR A 81 -19.276 7.504 -12.118 1.00 0.00 C ATOM 1349 OG1 THR A 81 -19.221 7.876 -13.491 1.00 0.00 O ATOM 1350 CG2 THR A 81 -19.854 8.662 -11.299 1.00 0.00 C ATOM 0 H THR A 81 -17.543 5.187 -12.365 1.00 0.00 H new ATOM 0 HA THR A 81 -17.242 8.053 -11.546 1.00 0.00 H new ATOM 0 HB THR A 81 -19.915 6.628 -12.007 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.123 8.091 -13.808 1.00 0.00 H new ATOM 0 HG21 THR A 81 -20.854 8.900 -11.661 1.00 0.00 H new ATOM 0 HG22 THR A 81 -19.908 8.374 -10.249 1.00 0.00 H new ATOM 0 HG23 THR A 81 -19.212 9.537 -11.403 1.00 0.00 H new ATOM 1358 N THR A 82 -18.687 5.492 -10.049 1.00 0.00 N ATOM 1359 CA THR A 82 -18.792 4.825 -8.715 1.00 0.00 C ATOM 1360 C THR A 82 -18.170 3.422 -8.783 1.00 0.00 C ATOM 1361 O THR A 82 -18.759 2.448 -8.354 1.00 0.00 O ATOM 1362 CB THR A 82 -20.298 4.745 -8.419 1.00 0.00 C ATOM 1363 OG1 THR A 82 -21.023 4.592 -9.636 1.00 0.00 O ATOM 1364 CG2 THR A 82 -20.752 6.024 -7.712 1.00 0.00 C ATOM 0 H THR A 82 -19.246 5.064 -10.788 1.00 0.00 H new ATOM 0 HA THR A 82 -18.262 5.370 -7.934 1.00 0.00 H new ATOM 0 HB THR A 82 -20.490 3.886 -7.776 1.00 0.00 H new ATOM 0 HG1 THR A 82 -21.982 4.540 -9.441 1.00 0.00 H new ATOM 0 HG21 THR A 82 -21.820 5.965 -7.503 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.205 6.136 -6.776 1.00 0.00 H new ATOM 0 HG23 THR A 82 -20.555 6.884 -8.353 1.00 0.00 H new ATOM 1372 N VAL A 83 -16.979 3.318 -9.322 1.00 0.00 N ATOM 1373 CA VAL A 83 -16.308 1.985 -9.424 1.00 0.00 C ATOM 1374 C VAL A 83 -15.230 1.851 -8.333 1.00 0.00 C ATOM 1375 O VAL A 83 -14.080 1.557 -8.606 1.00 0.00 O ATOM 1376 CB VAL A 83 -15.702 1.951 -10.844 1.00 0.00 C ATOM 1377 CG1 VAL A 83 -14.639 3.048 -11.002 1.00 0.00 C ATOM 1378 CG2 VAL A 83 -15.061 0.581 -11.099 1.00 0.00 C ATOM 0 H VAL A 83 -16.442 4.101 -9.696 1.00 0.00 H new ATOM 0 HA VAL A 83 -16.994 1.152 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 83 -16.499 2.125 -11.567 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.223 3.009 -12.009 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.096 4.024 -10.836 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.843 2.891 -10.274 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.634 0.560 -12.102 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.274 0.406 -10.366 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.819 -0.197 -11.011 1.00 0.00 H new ATOM 1388 N ILE A 84 -15.606 2.062 -7.090 1.00 0.00 N ATOM 1389 CA ILE A 84 -14.621 1.951 -5.965 1.00 0.00 C ATOM 1390 C ILE A 84 -14.005 0.544 -5.931 1.00 0.00 C ATOM 1391 O ILE A 84 -14.662 -0.438 -6.224 1.00 0.00 O ATOM 1392 CB ILE A 84 -15.427 2.240 -4.688 1.00 0.00 C ATOM 1393 CG1 ILE A 84 -14.464 2.445 -3.513 1.00 0.00 C ATOM 1394 CG2 ILE A 84 -16.368 1.069 -4.377 1.00 0.00 C ATOM 1395 CD1 ILE A 84 -15.036 3.494 -2.557 1.00 0.00 C ATOM 0 H ILE A 84 -16.555 2.307 -6.807 1.00 0.00 H new ATOM 0 HA ILE A 84 -13.790 2.648 -6.074 1.00 0.00 H new ATOM 0 HB ILE A 84 -16.021 3.141 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -14.311 1.503 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.489 2.766 -3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -16.933 1.287 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -17.058 0.926 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -15.783 0.161 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.350 3.638 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -15.166 4.437 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -16.000 3.155 -2.179 1.00 0.00 H new ATOM 1407 N GLU A 85 -12.744 0.447 -5.590 1.00 0.00 N ATOM 1408 CA GLU A 85 -12.074 -0.891 -5.552 1.00 0.00 C ATOM 1409 C GLU A 85 -10.756 -0.810 -4.770 1.00 0.00 C ATOM 1410 O GLU A 85 -10.407 0.227 -4.239 1.00 0.00 O ATOM 1411 CB GLU A 85 -11.803 -1.234 -7.024 1.00 0.00 C ATOM 1412 CG GLU A 85 -11.030 -0.086 -7.688 1.00 0.00 C ATOM 1413 CD GLU A 85 -10.705 -0.449 -9.138 1.00 0.00 C ATOM 1414 OE1 GLU A 85 -9.663 -1.040 -9.358 1.00 0.00 O ATOM 1415 OE2 GLU A 85 -11.501 -0.123 -10.003 1.00 0.00 O ATOM 0 H GLU A 85 -12.149 1.236 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.687 -1.645 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.230 -2.159 -7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.744 -1.402 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.622 0.829 -7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.110 0.111 -7.138 1.00 0.00 H new ATOM 1422 N ARG A 86 -10.021 -1.901 -4.709 1.00 0.00 N ATOM 1423 CA ARG A 86 -8.711 -1.911 -3.978 1.00 0.00 C ATOM 1424 C ARG A 86 -8.893 -1.449 -2.524 1.00 0.00 C ATOM 1425 O ARG A 86 -8.705 -0.289 -2.199 1.00 0.00 O ATOM 1426 CB ARG A 86 -7.818 -0.940 -4.756 1.00 0.00 C ATOM 1427 CG ARG A 86 -6.363 -1.426 -4.689 1.00 0.00 C ATOM 1428 CD ARG A 86 -5.591 -0.953 -5.928 1.00 0.00 C ATOM 1429 NE ARG A 86 -4.313 -0.376 -5.401 1.00 0.00 N ATOM 1430 CZ ARG A 86 -3.359 0.021 -6.218 1.00 0.00 C ATOM 1431 NH1 ARG A 86 -3.482 -0.120 -7.517 1.00 0.00 N ATOM 1432 NH2 ARG A 86 -2.270 0.559 -5.729 1.00 0.00 N ATOM 0 H ARG A 86 -10.276 -2.790 -5.138 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.277 -2.910 -3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.146 -0.878 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.899 0.063 -4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.886 -1.045 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.337 -2.514 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.397 -1.781 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.159 -0.208 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.179 -0.289 -4.394 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.325 -0.542 -7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.735 0.192 -8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.164 0.669 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.528 0.868 -6.357 1.00 0.00 H new ATOM 1446 N THR A 87 -9.258 -2.349 -1.647 1.00 0.00 N ATOM 1447 CA THR A 87 -9.457 -1.971 -0.213 1.00 0.00 C ATOM 1448 C THR A 87 -8.377 -2.605 0.671 1.00 0.00 C ATOM 1449 O THR A 87 -8.029 -3.760 0.514 1.00 0.00 O ATOM 1450 CB THR A 87 -10.842 -2.514 0.162 1.00 0.00 C ATOM 1451 OG1 THR A 87 -10.938 -3.888 -0.205 1.00 0.00 O ATOM 1452 CG2 THR A 87 -11.924 -1.713 -0.563 1.00 0.00 C ATOM 0 H THR A 87 -9.427 -3.332 -1.862 1.00 0.00 H new ATOM 0 HA THR A 87 -9.388 -0.893 -0.068 1.00 0.00 H new ATOM 0 HB THR A 87 -10.983 -2.419 1.239 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.052 -4.303 -0.153 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.906 -2.102 -0.294 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.857 -0.665 -0.272 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.782 -1.801 -1.640 1.00 0.00 H new ATOM 1460 N PHE A 88 -7.855 -1.853 1.606 1.00 0.00 N ATOM 1461 CA PHE A 88 -6.804 -2.398 2.517 1.00 0.00 C ATOM 1462 C PHE A 88 -7.010 -1.835 3.935 1.00 0.00 C ATOM 1463 O PHE A 88 -7.388 -0.692 4.111 1.00 0.00 O ATOM 1464 CB PHE A 88 -5.463 -1.969 1.880 1.00 0.00 C ATOM 1465 CG PHE A 88 -4.747 -0.931 2.718 1.00 0.00 C ATOM 1466 CD1 PHE A 88 -4.155 -1.296 3.932 1.00 0.00 C ATOM 1467 CD2 PHE A 88 -4.664 0.392 2.270 1.00 0.00 C ATOM 1468 CE1 PHE A 88 -3.485 -0.338 4.700 1.00 0.00 C ATOM 1469 CE2 PHE A 88 -3.990 1.350 3.038 1.00 0.00 C ATOM 1470 CZ PHE A 88 -3.401 0.984 4.253 1.00 0.00 C ATOM 0 H PHE A 88 -8.113 -0.881 1.778 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.837 -3.482 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.823 -2.843 1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -5.646 -1.568 0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.215 -2.318 4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.119 0.674 1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.032 -0.620 5.639 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.925 2.371 2.692 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.882 1.723 4.846 1.00 0.00 H new ATOM 1480 N HIS A 89 -6.792 -2.643 4.943 1.00 0.00 N ATOM 1481 CA HIS A 89 -6.999 -2.179 6.353 1.00 0.00 C ATOM 1482 C HIS A 89 -5.658 -1.946 7.058 1.00 0.00 C ATOM 1483 O HIS A 89 -4.661 -2.553 6.722 1.00 0.00 O ATOM 1484 CB HIS A 89 -7.756 -3.324 7.037 1.00 0.00 C ATOM 1485 CG HIS A 89 -9.168 -3.397 6.518 1.00 0.00 C ATOM 1486 ND1 HIS A 89 -10.152 -4.119 7.171 1.00 0.00 N ATOM 1487 CD2 HIS A 89 -9.778 -2.843 5.421 1.00 0.00 C ATOM 1488 CE1 HIS A 89 -11.290 -3.979 6.471 1.00 0.00 C ATOM 1489 NE2 HIS A 89 -11.118 -3.211 5.393 1.00 0.00 N ATOM 0 H HIS A 89 -6.478 -3.609 4.851 1.00 0.00 H new ATOM 0 HA HIS A 89 -7.542 -1.234 6.389 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.244 -4.269 6.854 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -7.765 -3.170 8.116 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -10.034 -4.659 8.028 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.290 -2.216 4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -12.230 -4.433 6.747 1.00 0.00 H new ATOM 1497 N VAL A 90 -5.630 -1.082 8.045 1.00 0.00 N ATOM 1498 CA VAL A 90 -4.351 -0.829 8.787 1.00 0.00 C ATOM 1499 C VAL A 90 -4.420 -1.471 10.179 1.00 0.00 C ATOM 1500 O VAL A 90 -5.491 -1.731 10.698 1.00 0.00 O ATOM 1501 CB VAL A 90 -4.204 0.697 8.895 1.00 0.00 C ATOM 1502 CG1 VAL A 90 -4.130 1.308 7.495 1.00 0.00 C ATOM 1503 CG2 VAL A 90 -5.398 1.297 9.646 1.00 0.00 C ATOM 0 H VAL A 90 -6.433 -0.543 8.369 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.494 -1.263 8.271 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.289 0.921 9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.026 2.390 7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.270 0.899 6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.041 1.071 6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.279 2.378 9.714 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.318 1.066 9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.447 0.874 10.649 1.00 0.00 H new ATOM 1513 N ASP A 91 -3.289 -1.735 10.781 1.00 0.00 N ATOM 1514 CA ASP A 91 -3.285 -2.371 12.139 1.00 0.00 C ATOM 1515 C ASP A 91 -3.693 -1.365 13.229 1.00 0.00 C ATOM 1516 O ASP A 91 -4.165 -1.750 14.282 1.00 0.00 O ATOM 1517 CB ASP A 91 -1.844 -2.845 12.362 1.00 0.00 C ATOM 1518 CG ASP A 91 -1.845 -4.336 12.713 1.00 0.00 C ATOM 1519 OD1 ASP A 91 -2.034 -4.650 13.877 1.00 0.00 O ATOM 1520 OD2 ASP A 91 -1.655 -5.138 11.813 1.00 0.00 O ATOM 0 H ASP A 91 -2.366 -1.539 10.393 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.001 -3.191 12.194 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.250 -2.672 11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.382 -2.272 13.165 1.00 0.00 H new ATOM 1525 N SER A 92 -3.511 -0.085 12.995 1.00 0.00 N ATOM 1526 CA SER A 92 -3.885 0.924 14.035 1.00 0.00 C ATOM 1527 C SER A 92 -4.398 2.218 13.388 1.00 0.00 C ATOM 1528 O SER A 92 -4.126 2.484 12.232 1.00 0.00 O ATOM 1529 CB SER A 92 -2.586 1.199 14.794 1.00 0.00 C ATOM 1530 OG SER A 92 -2.670 0.626 16.091 1.00 0.00 O ATOM 0 H SER A 92 -3.122 0.301 12.134 1.00 0.00 H new ATOM 0 HA SER A 92 -4.683 0.560 14.682 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.739 0.778 14.252 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.415 2.273 14.869 1.00 0.00 H new ATOM 0 HG SER A 92 -1.838 0.799 16.580 1.00 0.00 H new ATOM 1536 N PRO A 93 -5.107 3.002 14.173 1.00 0.00 N ATOM 1537 CA PRO A 93 -5.635 4.298 13.674 1.00 0.00 C ATOM 1538 C PRO A 93 -4.464 5.259 13.434 1.00 0.00 C ATOM 1539 O PRO A 93 -4.444 5.994 12.463 1.00 0.00 O ATOM 1540 CB PRO A 93 -6.541 4.781 14.804 1.00 0.00 C ATOM 1541 CG PRO A 93 -6.022 4.097 16.028 1.00 0.00 C ATOM 1542 CD PRO A 93 -5.473 2.767 15.577 1.00 0.00 C ATOM 0 HA PRO A 93 -6.175 4.225 12.730 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.499 5.865 14.909 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.582 4.519 14.616 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.246 4.695 16.506 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.816 3.960 16.762 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.610 2.467 16.171 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.215 1.974 15.670 1.00 0.00 H new ATOM 1550 N ASP A 94 -3.474 5.227 14.297 1.00 0.00 N ATOM 1551 CA ASP A 94 -2.279 6.102 14.111 1.00 0.00 C ATOM 1552 C ASP A 94 -1.586 5.716 12.799 1.00 0.00 C ATOM 1553 O ASP A 94 -1.084 6.558 12.079 1.00 0.00 O ATOM 1554 CB ASP A 94 -1.371 5.812 15.313 1.00 0.00 C ATOM 1555 CG ASP A 94 -1.836 6.624 16.526 1.00 0.00 C ATOM 1556 OD1 ASP A 94 -2.861 6.276 17.093 1.00 0.00 O ATOM 1557 OD2 ASP A 94 -1.157 7.577 16.871 1.00 0.00 O ATOM 0 H ASP A 94 -3.446 4.630 15.123 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.530 7.161 14.057 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.392 4.748 15.547 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.339 6.064 15.069 1.00 0.00 H new ATOM 1562 N GLU A 95 -1.587 4.439 12.473 1.00 0.00 N ATOM 1563 CA GLU A 95 -0.963 3.982 11.195 1.00 0.00 C ATOM 1564 C GLU A 95 -1.739 4.575 10.016 1.00 0.00 C ATOM 1565 O GLU A 95 -1.158 5.094 9.085 1.00 0.00 O ATOM 1566 CB GLU A 95 -1.081 2.451 11.208 1.00 0.00 C ATOM 1567 CG GLU A 95 0.313 1.826 11.336 1.00 0.00 C ATOM 1568 CD GLU A 95 0.571 1.434 12.794 1.00 0.00 C ATOM 1569 OE1 GLU A 95 0.797 2.323 13.598 1.00 0.00 O ATOM 1570 OE2 GLU A 95 0.538 0.247 13.082 1.00 0.00 O ATOM 0 H GLU A 95 -1.995 3.697 13.042 1.00 0.00 H new ATOM 0 HA GLU A 95 0.076 4.297 11.098 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.711 2.132 12.039 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.562 2.106 10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.389 0.948 10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.071 2.533 11.000 1.00 0.00 H new ATOM 1577 N ARG A 96 -3.052 4.517 10.067 1.00 0.00 N ATOM 1578 CA ARG A 96 -3.882 5.091 8.960 1.00 0.00 C ATOM 1579 C ARG A 96 -3.507 6.560 8.726 1.00 0.00 C ATOM 1580 O ARG A 96 -3.399 7.007 7.600 1.00 0.00 O ATOM 1581 CB ARG A 96 -5.329 4.974 9.447 1.00 0.00 C ATOM 1582 CG ARG A 96 -6.282 5.080 8.254 1.00 0.00 C ATOM 1583 CD ARG A 96 -7.722 5.199 8.759 1.00 0.00 C ATOM 1584 NE ARG A 96 -7.900 6.642 9.106 1.00 0.00 N ATOM 1585 CZ ARG A 96 -9.036 7.078 9.601 1.00 0.00 C ATOM 1586 NH1 ARG A 96 -10.047 6.262 9.785 1.00 0.00 N ATOM 1587 NH2 ARG A 96 -9.158 8.342 9.914 1.00 0.00 N ATOM 0 H ARG A 96 -3.583 4.096 10.829 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.729 4.571 8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.475 4.023 9.959 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.545 5.761 10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.026 5.948 7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.181 4.203 7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.434 4.888 7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.888 4.562 9.628 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.131 7.295 8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.957 5.275 9.543 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.923 6.614 10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.375 8.980 9.773 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.036 8.690 10.299 1.00 0.00 H new ATOM 1601 N GLU A 97 -3.292 7.304 9.783 1.00 0.00 N ATOM 1602 CA GLU A 97 -2.905 8.739 9.622 1.00 0.00 C ATOM 1603 C GLU A 97 -1.511 8.836 8.993 1.00 0.00 C ATOM 1604 O GLU A 97 -1.253 9.700 8.177 1.00 0.00 O ATOM 1605 CB GLU A 97 -2.900 9.329 11.039 1.00 0.00 C ATOM 1606 CG GLU A 97 -4.318 9.294 11.631 1.00 0.00 C ATOM 1607 CD GLU A 97 -5.336 9.806 10.604 1.00 0.00 C ATOM 1608 OE1 GLU A 97 -5.404 11.008 10.410 1.00 0.00 O ATOM 1609 OE2 GLU A 97 -6.031 8.982 10.028 1.00 0.00 O ATOM 0 H GLU A 97 -3.368 6.980 10.747 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.593 9.277 8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.218 8.764 11.674 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.534 10.355 11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.571 8.276 11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.359 9.908 12.531 1.00 0.00 H new ATOM 1616 N GLU A 98 -0.612 7.949 9.357 1.00 0.00 N ATOM 1617 CA GLU A 98 0.760 7.987 8.765 1.00 0.00 C ATOM 1618 C GLU A 98 0.701 7.608 7.281 1.00 0.00 C ATOM 1619 O GLU A 98 1.418 8.157 6.469 1.00 0.00 O ATOM 1620 CB GLU A 98 1.580 6.962 9.550 1.00 0.00 C ATOM 1621 CG GLU A 98 3.061 7.106 9.176 1.00 0.00 C ATOM 1622 CD GLU A 98 3.932 6.409 10.222 1.00 0.00 C ATOM 1623 OE1 GLU A 98 4.218 7.029 11.233 1.00 0.00 O ATOM 1624 OE2 GLU A 98 4.306 5.272 9.990 1.00 0.00 O ATOM 0 H GLU A 98 -0.771 7.205 10.036 1.00 0.00 H new ATOM 0 HA GLU A 98 1.203 8.981 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.447 7.115 10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.233 5.953 9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.241 6.672 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.328 8.161 9.112 1.00 0.00 H new ATOM 1631 N TRP A 99 -0.157 6.679 6.920 1.00 0.00 N ATOM 1632 CA TRP A 99 -0.267 6.277 5.483 1.00 0.00 C ATOM 1633 C TRP A 99 -0.724 7.478 4.650 1.00 0.00 C ATOM 1634 O TRP A 99 -0.184 7.750 3.598 1.00 0.00 O ATOM 1635 CB TRP A 99 -1.322 5.167 5.437 1.00 0.00 C ATOM 1636 CG TRP A 99 -0.823 3.952 6.155 1.00 0.00 C ATOM 1637 CD1 TRP A 99 -1.526 3.265 7.081 1.00 0.00 C ATOM 1638 CD2 TRP A 99 0.460 3.268 6.029 1.00 0.00 C ATOM 1639 NE1 TRP A 99 -0.763 2.211 7.534 1.00 0.00 N ATOM 1640 CE2 TRP A 99 0.468 2.167 6.915 1.00 0.00 C ATOM 1641 CE3 TRP A 99 1.605 3.492 5.242 1.00 0.00 C ATOM 1642 CZ2 TRP A 99 1.568 1.318 7.019 1.00 0.00 C ATOM 1643 CZ3 TRP A 99 2.715 2.638 5.344 1.00 0.00 C ATOM 1644 CH2 TRP A 99 2.693 1.555 6.231 1.00 0.00 C ATOM 0 H TRP A 99 -0.782 6.185 7.557 1.00 0.00 H new ATOM 0 HA TRP A 99 0.686 5.934 5.080 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -2.248 5.515 5.896 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -1.553 4.917 4.402 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -2.526 3.503 7.413 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.072 1.544 8.242 1.00 0.00 H new ATOM 0 HE3 TRP A 99 1.630 4.325 4.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 1.549 0.483 7.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 3.589 2.817 4.736 1.00 0.00 H new ATOM 0 HH2 TRP A 99 3.550 0.902 6.305 1.00 0.00 H new ATOM 1655 N MET A 100 -1.705 8.208 5.129 1.00 0.00 N ATOM 1656 CA MET A 100 -2.190 9.408 4.381 1.00 0.00 C ATOM 1657 C MET A 100 -1.030 10.395 4.193 1.00 0.00 C ATOM 1658 O MET A 100 -0.769 10.861 3.100 1.00 0.00 O ATOM 1659 CB MET A 100 -3.282 10.014 5.272 1.00 0.00 C ATOM 1660 CG MET A 100 -3.873 11.259 4.603 1.00 0.00 C ATOM 1661 SD MET A 100 -3.436 12.729 5.567 1.00 0.00 S ATOM 1662 CE MET A 100 -4.489 12.390 7.002 1.00 0.00 C ATOM 0 H MET A 100 -2.190 8.022 6.007 1.00 0.00 H new ATOM 0 HA MET A 100 -2.571 9.164 3.389 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.067 9.279 5.450 1.00 0.00 H new ATOM 0 HB3 MET A 100 -2.865 10.277 6.244 1.00 0.00 H new ATOM 0 HG2 MET A 100 -3.494 11.353 3.585 1.00 0.00 H new ATOM 0 HG3 MET A 100 -4.957 11.167 4.532 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.743 13.328 7.497 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.402 11.894 6.674 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.956 11.744 7.700 1.00 0.00 H new ATOM 1672 N ARG A 101 -0.322 10.695 5.256 1.00 0.00 N ATOM 1673 CA ARG A 101 0.841 11.632 5.155 1.00 0.00 C ATOM 1674 C ARG A 101 1.938 11.011 4.279 1.00 0.00 C ATOM 1675 O ARG A 101 2.580 11.689 3.500 1.00 0.00 O ATOM 1676 CB ARG A 101 1.341 11.808 6.594 1.00 0.00 C ATOM 1677 CG ARG A 101 0.298 12.578 7.410 1.00 0.00 C ATOM 1678 CD ARG A 101 0.455 14.080 7.160 1.00 0.00 C ATOM 1679 NE ARG A 101 1.329 14.568 8.267 1.00 0.00 N ATOM 1680 CZ ARG A 101 0.825 14.890 9.440 1.00 0.00 C ATOM 1681 NH1 ARG A 101 -0.461 14.777 9.675 1.00 0.00 N ATOM 1682 NH2 ARG A 101 1.617 15.324 10.386 1.00 0.00 N ATOM 0 H ARG A 101 -0.500 10.330 6.192 1.00 0.00 H new ATOM 0 HA ARG A 101 0.567 12.585 4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.525 10.834 7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.289 12.346 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.706 12.256 7.132 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.420 12.361 8.471 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.906 14.273 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.511 14.584 7.169 1.00 0.00 H new ATOM 0 HE ARG A 101 2.334 14.653 8.112 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.085 14.436 8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.837 15.030 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.618 15.411 10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.233 15.575 11.297 1.00 0.00 H new ATOM 1696 N ALA A 102 2.146 9.722 4.401 1.00 0.00 N ATOM 1697 CA ALA A 102 3.190 9.038 3.577 1.00 0.00 C ATOM 1698 C ALA A 102 2.800 9.071 2.095 1.00 0.00 C ATOM 1699 O ALA A 102 3.622 9.335 1.238 1.00 0.00 O ATOM 1700 CB ALA A 102 3.225 7.597 4.088 1.00 0.00 C ATOM 0 H ALA A 102 1.635 9.112 5.039 1.00 0.00 H new ATOM 0 HA ALA A 102 4.163 9.523 3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.970 7.031 3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.485 7.593 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.245 7.139 3.953 1.00 0.00 H new ATOM 1706 N ILE A 103 1.549 8.810 1.791 1.00 0.00 N ATOM 1707 CA ILE A 103 1.095 8.828 0.363 1.00 0.00 C ATOM 1708 C ILE A 103 1.369 10.207 -0.257 1.00 0.00 C ATOM 1709 O ILE A 103 1.825 10.307 -1.379 1.00 0.00 O ATOM 1710 CB ILE A 103 -0.411 8.527 0.415 1.00 0.00 C ATOM 1711 CG1 ILE A 103 -0.616 7.045 0.751 1.00 0.00 C ATOM 1712 CG2 ILE A 103 -1.056 8.830 -0.943 1.00 0.00 C ATOM 1713 CD1 ILE A 103 -2.000 6.838 1.370 1.00 0.00 C ATOM 0 H ILE A 103 0.823 8.585 2.471 1.00 0.00 H new ATOM 0 HA ILE A 103 1.622 8.100 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.875 9.152 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.518 6.442 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.156 6.710 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.123 8.613 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.910 9.882 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.594 8.210 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.139 5.783 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.082 7.428 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.766 7.155 0.663 1.00 0.00 H new ATOM 1725 N GLN A 104 1.111 11.267 0.474 1.00 0.00 N ATOM 1726 CA GLN A 104 1.378 12.638 -0.071 1.00 0.00 C ATOM 1727 C GLN A 104 2.888 12.851 -0.241 1.00 0.00 C ATOM 1728 O GLN A 104 3.334 13.429 -1.214 1.00 0.00 O ATOM 1729 CB GLN A 104 0.809 13.614 0.965 1.00 0.00 C ATOM 1730 CG GLN A 104 -0.118 14.619 0.269 1.00 0.00 C ATOM 1731 CD GLN A 104 0.581 15.977 0.153 1.00 0.00 C ATOM 1732 OE1 GLN A 104 0.315 16.877 0.924 1.00 0.00 O ATOM 1733 NE2 GLN A 104 1.470 16.166 -0.784 1.00 0.00 N ATOM 0 H GLN A 104 0.729 11.243 1.419 1.00 0.00 H new ATOM 0 HA GLN A 104 0.920 12.784 -1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.260 13.067 1.731 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.620 14.140 1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.388 14.253 -0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.045 14.724 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 104 1.695 15.412 -1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.939 17.068 -0.867 1.00 0.00 H new ATOM 1742 N MET A 105 3.678 12.377 0.697 1.00 0.00 N ATOM 1743 CA MET A 105 5.163 12.537 0.591 1.00 0.00 C ATOM 1744 C MET A 105 5.685 11.776 -0.635 1.00 0.00 C ATOM 1745 O MET A 105 6.563 12.239 -1.339 1.00 0.00 O ATOM 1746 CB MET A 105 5.727 11.933 1.881 1.00 0.00 C ATOM 1747 CG MET A 105 7.116 12.515 2.159 1.00 0.00 C ATOM 1748 SD MET A 105 7.244 12.960 3.909 1.00 0.00 S ATOM 1749 CE MET A 105 8.531 14.220 3.733 1.00 0.00 C ATOM 0 H MET A 105 3.356 11.886 1.531 1.00 0.00 H new ATOM 0 HA MET A 105 5.459 13.579 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.059 12.146 2.716 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.788 10.849 1.790 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.885 11.787 1.900 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.286 13.393 1.536 1.00 0.00 H new ATOM 0 HE1 MET A 105 8.769 14.636 4.712 1.00 0.00 H new ATOM 0 HE2 MET A 105 9.425 13.769 3.303 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.175 15.015 3.078 1.00 0.00 H new ATOM 1759 N VAL A 106 5.137 10.614 -0.901 1.00 0.00 N ATOM 1760 CA VAL A 106 5.581 9.821 -2.090 1.00 0.00 C ATOM 1761 C VAL A 106 5.224 10.582 -3.373 1.00 0.00 C ATOM 1762 O VAL A 106 6.014 10.660 -4.294 1.00 0.00 O ATOM 1763 CB VAL A 106 4.803 8.501 -2.004 1.00 0.00 C ATOM 1764 CG1 VAL A 106 5.002 7.697 -3.290 1.00 0.00 C ATOM 1765 CG2 VAL A 106 5.309 7.681 -0.815 1.00 0.00 C ATOM 0 H VAL A 106 4.400 10.180 -0.345 1.00 0.00 H new ATOM 0 HA VAL A 106 6.657 9.649 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 106 3.744 8.721 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.447 6.761 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.638 8.274 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.062 7.482 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.755 6.744 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.370 7.467 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.164 8.247 0.105 1.00 0.00 H new ATOM 1775 N ALA A 107 4.042 11.151 -3.425 1.00 0.00 N ATOM 1776 CA ALA A 107 3.616 11.925 -4.634 1.00 0.00 C ATOM 1777 C ALA A 107 4.558 13.114 -4.869 1.00 0.00 C ATOM 1778 O ALA A 107 4.786 13.515 -5.992 1.00 0.00 O ATOM 1779 CB ALA A 107 2.202 12.415 -4.323 1.00 0.00 C ATOM 0 H ALA A 107 3.350 11.112 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 107 3.644 11.316 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.823 12.992 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.551 11.559 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.222 13.044 -3.433 1.00 0.00 H new ATOM 1785 N ASN A 108 5.111 13.678 -3.817 1.00 0.00 N ATOM 1786 CA ASN A 108 6.047 14.835 -3.989 1.00 0.00 C ATOM 1787 C ASN A 108 7.230 14.416 -4.873 1.00 0.00 C ATOM 1788 O ASN A 108 7.618 15.130 -5.777 1.00 0.00 O ATOM 1789 CB ASN A 108 6.523 15.195 -2.578 1.00 0.00 C ATOM 1790 CG ASN A 108 5.656 16.325 -2.020 1.00 0.00 C ATOM 1791 OD1 ASN A 108 5.832 17.473 -2.377 1.00 0.00 O ATOM 1792 ND2 ASN A 108 4.718 16.049 -1.156 1.00 0.00 N ATOM 0 H ASN A 108 4.954 13.387 -2.852 1.00 0.00 H new ATOM 0 HA ASN A 108 5.567 15.686 -4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.463 14.322 -1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.568 15.503 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 108 4.134 16.796 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.569 15.086 -0.855 1.00 0.00 H new ATOM 1799 N SER A 109 7.786 13.253 -4.633 1.00 0.00 N ATOM 1800 CA SER A 109 8.923 12.773 -5.479 1.00 0.00 C ATOM 1801 C SER A 109 8.371 12.073 -6.727 1.00 0.00 C ATOM 1802 O SER A 109 8.903 12.204 -7.813 1.00 0.00 O ATOM 1803 CB SER A 109 9.688 11.779 -4.603 1.00 0.00 C ATOM 1804 OG SER A 109 11.018 11.649 -5.090 1.00 0.00 O ATOM 0 H SER A 109 7.502 12.616 -3.889 1.00 0.00 H new ATOM 0 HA SER A 109 9.565 13.587 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.699 12.122 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.189 10.810 -4.612 1.00 0.00 H new ATOM 0 HG SER A 109 11.511 11.014 -4.530 1.00 0.00 H new ATOM 1810 N LEU A 110 7.296 11.340 -6.567 1.00 0.00 N ATOM 1811 CA LEU A 110 6.670 10.623 -7.721 1.00 0.00 C ATOM 1812 C LEU A 110 6.201 11.633 -8.779 1.00 0.00 C ATOM 1813 O LEU A 110 6.390 11.426 -9.961 1.00 0.00 O ATOM 1814 CB LEU A 110 5.483 9.870 -7.089 1.00 0.00 C ATOM 1815 CG LEU A 110 4.582 9.227 -8.155 1.00 0.00 C ATOM 1816 CD1 LEU A 110 3.599 10.269 -8.694 1.00 0.00 C ATOM 1817 CD2 LEU A 110 5.430 8.670 -9.302 1.00 0.00 C ATOM 0 H LEU A 110 6.820 11.207 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 110 7.354 9.948 -8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.858 9.098 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.895 10.561 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 110 4.027 8.407 -7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.961 9.811 -9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.982 10.644 -7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.153 11.096 -9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.779 8.218 -10.050 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.000 9.479 -9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.116 7.917 -8.915 1.00 0.00 H new ATOM 1829 N LYS A 111 5.596 12.722 -8.351 1.00 0.00 N ATOM 1830 CA LYS A 111 5.099 13.775 -9.299 1.00 0.00 C ATOM 1831 C LYS A 111 3.993 13.204 -10.202 1.00 0.00 C ATOM 1832 O LYS A 111 2.927 13.802 -10.334 1.00 0.00 O ATOM 1833 CB LYS A 111 6.321 14.224 -10.119 1.00 0.00 C ATOM 1834 CG LYS A 111 7.387 14.801 -9.180 1.00 0.00 C ATOM 1835 CD LYS A 111 7.842 16.170 -9.696 1.00 0.00 C ATOM 1836 CE LYS A 111 6.791 17.230 -9.341 1.00 0.00 C ATOM 1837 NZ LYS A 111 7.570 18.433 -8.925 1.00 0.00 N ATOM 1838 OXT LYS A 111 2.841 13.304 -9.816 1.00 0.00 O ATOM 0 H LYS A 111 5.424 12.927 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 111 4.659 14.620 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 111 6.729 13.379 -10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 111 6.024 14.974 -10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 111 6.984 14.897 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 111 8.238 14.123 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 111 8.803 16.435 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 111 7.986 16.133 -10.776 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.152 17.452 -10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 111 6.141 16.885 -8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 6.915 19.199 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 8.164 18.195 -8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 8.175 18.744 -9.712 1.00 0.00 H new TER 1852 LYS A 111