USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 674 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 92 HIS : +bothHN:sc= -10.6! C(o=-12!,f=-14!) USER MOD Set 1.2: A 98 ASN :FLIP amide:sc= -1.02 F(o=-14!,f=-12) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -19.1! C(o=-31!,f=-25!) USER MOD Set 2.2: A 83 ASN :FLIP amide:sc= -5.72! C(o=-35!,f=-25!) USER MOD Set 2.3: A 85 GLN : amide:sc= -0.49! K(o=-25!,f=-28) USER MOD Set 3.1: A 27 HIS : no HD1:sc= -13.1! C(o=-17!,f=-22!) USER MOD Set 3.2: A 57 TYR OH : rot -15:sc= -3.57! USER MOD Set 4.1: A 6 CYS SG : rot 17:sc= -26.1! USER MOD Set 4.2: A 9 ASN : amide:sc= -16.2! C(o=-87!,f=-91!) USER MOD Set 4.3: A 11 TYR OH : rot 45:sc= -7.49! USER MOD Set 4.4: A 63 SER OG : rot 180:sc= 0 USER MOD Set 4.5: A 103 CYS SG : rot -168:sc= -37.6! USER MOD Set 5.1: A 2 CYS SG : rot 4:sc= 1 USER MOD Set 5.2: A 10 CYS SG : rot 103:sc= -6.5! USER MOD Single : A 4 TYR OH : rot -77:sc= 0.183 USER MOD Single : A 5 THR OG1 : rot -60:sc= -0.367 USER MOD Single : A 8 SER OG : rot 64:sc= 1.01 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -22.3! C(o=-22!,f=-24!) USER MOD Single : A 24 TYR OH : rot 90:sc= 0.581! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -49:sc= 0.0887 USER MOD Single : A 36 ASN : amide:sc= -0.749! C(o=-0.75!,f=-3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : +bothHN:sc= -7.68! C(o=-7.7!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 38:sc= -2.79! USER MOD Single : A 43 ASN :FLIP amide:sc= -0.148 F(o=-1.4,f=-0.15) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.768! C(o=-4!,f=-0.77!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.19 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 2:sc= 0.985 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -31:sc= 0.516! USER MOD Single : A 69 SER OG : rot 60:sc= 1.19 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -7.61! C(o=-14!,f=-7.6!) USER MOD Single : A 91 THR OG1 : rot 136:sc= -0.519 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -6.55! C(o=-15!,f=-6.6!) USER MOD Single : A 104 THR OG1 : rot -65:sc= 0.569 USER MOD ----------------------------------------------------------------- ATOM 11 N CYS A 2 -5.086 -13.766 -6.980 1.00 0.00 N ATOM 12 CA CYS A 2 -4.008 -13.088 -6.282 1.00 0.00 C ATOM 13 C CYS A 2 -3.726 -11.766 -7.000 1.00 0.00 C ATOM 14 O CYS A 2 -2.605 -11.525 -7.447 1.00 0.00 O ATOM 15 CB CYS A 2 -2.757 -13.964 -6.188 1.00 0.00 C ATOM 16 SG CYS A 2 -2.970 -15.675 -6.803 1.00 0.00 S ATOM 0 HA CYS A 2 -4.308 -12.885 -5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.954 -13.488 -6.751 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.436 -14.004 -5.147 1.00 0.00 H new ATOM 0 HG CYS A 2 -4.162 -15.811 -7.305 1.00 0.00 H new ATOM 21 N ASP A 3 -4.762 -10.946 -7.090 1.00 0.00 N ATOM 22 CA ASP A 3 -4.641 -9.655 -7.747 1.00 0.00 C ATOM 23 C ASP A 3 -3.275 -9.048 -7.419 1.00 0.00 C ATOM 24 O ASP A 3 -2.713 -8.305 -8.222 1.00 0.00 O ATOM 25 CB ASP A 3 -5.719 -8.686 -7.260 1.00 0.00 C ATOM 26 CG ASP A 3 -7.158 -9.140 -7.515 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.446 -10.316 -7.205 1.00 0.00 O ATOM 28 OD2 ASP A 3 -7.938 -8.299 -8.013 1.00 0.00 O ATOM 0 H ASP A 3 -5.690 -11.150 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.755 -9.810 -8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.588 -8.528 -6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.566 -7.722 -7.745 1.00 0.00 H new ATOM 33 N TYR A 4 -2.782 -9.386 -6.236 1.00 0.00 N ATOM 34 CA TYR A 4 -1.493 -8.883 -5.791 1.00 0.00 C ATOM 35 C TYR A 4 -0.680 -9.985 -5.110 1.00 0.00 C ATOM 36 O TYR A 4 -1.060 -10.476 -4.048 1.00 0.00 O ATOM 37 CB TYR A 4 -1.798 -7.786 -4.770 1.00 0.00 C ATOM 38 CG TYR A 4 -2.637 -6.633 -5.326 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.029 -5.615 -6.033 1.00 0.00 C ATOM 40 CD2 TYR A 4 -4.002 -6.610 -5.121 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.817 -4.531 -6.556 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.791 -5.526 -5.645 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.159 -4.539 -6.337 1.00 0.00 C ATOM 44 OH TYR A 4 -4.904 -3.515 -6.832 1.00 0.00 O ATOM 0 H TYR A 4 -3.252 -10.002 -5.572 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.911 -8.517 -6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.323 -8.228 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.858 -7.387 -4.389 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.961 -5.632 -6.194 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.478 -7.406 -4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.353 -3.729 -7.110 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.860 -5.497 -5.493 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.786 -2.722 -6.268 1.00 0.00 H new ATOM 54 N THR A 5 0.425 -10.341 -5.749 1.00 0.00 N ATOM 55 CA THR A 5 1.295 -11.377 -5.218 1.00 0.00 C ATOM 56 C THR A 5 2.718 -10.840 -5.045 1.00 0.00 C ATOM 57 O THR A 5 3.432 -10.637 -6.026 1.00 0.00 O ATOM 58 CB THR A 5 1.211 -12.589 -6.149 1.00 0.00 C ATOM 59 OG1 THR A 5 -0.020 -13.214 -5.796 1.00 0.00 O ATOM 60 CG2 THR A 5 2.270 -13.646 -5.831 1.00 0.00 C ATOM 0 H THR A 5 0.738 -9.931 -6.629 1.00 0.00 H new ATOM 0 HA THR A 5 0.976 -11.691 -4.224 1.00 0.00 H new ATOM 0 HB THR A 5 1.324 -12.261 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.004 -13.474 -4.851 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.166 -14.484 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.263 -13.210 -5.937 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.136 -13.999 -4.808 1.00 0.00 H new ATOM 68 N CYS A 6 3.087 -10.627 -3.790 1.00 0.00 N ATOM 69 CA CYS A 6 4.411 -10.118 -3.476 1.00 0.00 C ATOM 70 C CYS A 6 5.389 -11.293 -3.477 1.00 0.00 C ATOM 71 O CYS A 6 5.957 -11.634 -2.440 1.00 0.00 O ATOM 72 CB CYS A 6 4.426 -9.363 -2.146 1.00 0.00 C ATOM 73 SG CYS A 6 3.821 -7.639 -2.234 1.00 0.00 S ATOM 0 H CYS A 6 2.492 -10.798 -2.979 1.00 0.00 H new ATOM 0 HA CYS A 6 4.714 -9.394 -4.232 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.817 -9.910 -1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.445 -9.356 -1.760 1.00 0.00 H new ATOM 0 HG CYS A 6 3.162 -7.466 -3.341 1.00 0.00 H new ATOM 78 N GLY A 7 5.558 -11.882 -4.652 1.00 0.00 N ATOM 79 CA GLY A 7 6.457 -13.013 -4.801 1.00 0.00 C ATOM 80 C GLY A 7 5.754 -14.325 -4.448 1.00 0.00 C ATOM 81 O GLY A 7 5.755 -15.266 -5.240 1.00 0.00 O ATOM 0 H GLY A 7 5.087 -11.596 -5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.824 -13.058 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.326 -12.878 -4.157 1.00 0.00 H new ATOM 85 N SER A 8 5.169 -14.345 -3.259 1.00 0.00 N ATOM 86 CA SER A 8 4.464 -15.525 -2.793 1.00 0.00 C ATOM 87 C SER A 8 3.311 -15.117 -1.872 1.00 0.00 C ATOM 88 O SER A 8 3.157 -15.665 -0.783 1.00 0.00 O ATOM 89 CB SER A 8 5.410 -16.482 -2.064 1.00 0.00 C ATOM 90 OG SER A 8 5.435 -16.241 -0.659 1.00 0.00 O ATOM 0 H SER A 8 5.169 -13.562 -2.605 1.00 0.00 H new ATOM 0 HA SER A 8 4.061 -16.046 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.100 -17.510 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.417 -16.375 -2.468 1.00 0.00 H new ATOM 0 HG SER A 8 4.550 -16.425 -0.280 1.00 0.00 H new ATOM 96 N ASN A 9 2.531 -14.155 -2.346 1.00 0.00 N ATOM 97 CA ASN A 9 1.398 -13.666 -1.579 1.00 0.00 C ATOM 98 C ASN A 9 0.127 -13.786 -2.423 1.00 0.00 C ATOM 99 O ASN A 9 0.134 -14.424 -3.474 1.00 0.00 O ATOM 100 CB ASN A 9 1.580 -12.193 -1.205 1.00 0.00 C ATOM 101 CG ASN A 9 2.949 -11.956 -0.565 1.00 0.00 C ATOM 102 OD1 ASN A 9 3.066 -11.571 0.587 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.974 -12.205 -1.373 1.00 0.00 N ATOM 0 H ASN A 9 2.662 -13.702 -3.251 1.00 0.00 H new ATOM 0 HA ASN A 9 1.324 -14.262 -0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.478 -11.573 -2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.794 -11.890 -0.514 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.929 -12.076 -1.040 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.806 -12.525 -2.327 1.00 0.00 H new ATOM 110 N CYS A 10 -0.933 -13.162 -1.930 1.00 0.00 N ATOM 111 CA CYS A 10 -2.208 -13.191 -2.626 1.00 0.00 C ATOM 112 C CYS A 10 -3.163 -12.227 -1.919 1.00 0.00 C ATOM 113 O CYS A 10 -4.070 -12.656 -1.208 1.00 0.00 O ATOM 114 CB CYS A 10 -2.780 -14.608 -2.701 1.00 0.00 C ATOM 115 SG CYS A 10 -4.281 -14.776 -3.734 1.00 0.00 S ATOM 0 H CYS A 10 -0.935 -12.634 -1.057 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.069 -12.871 -3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.011 -15.275 -3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.012 -14.945 -1.691 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.965 -15.316 -4.873 1.00 0.00 H new ATOM 120 N TYR A 11 -2.926 -10.943 -2.138 1.00 0.00 N ATOM 121 CA TYR A 11 -3.754 -9.914 -1.532 1.00 0.00 C ATOM 122 C TYR A 11 -4.975 -9.609 -2.401 1.00 0.00 C ATOM 123 O TYR A 11 -5.288 -8.445 -2.651 1.00 0.00 O ATOM 124 CB TYR A 11 -2.878 -8.663 -1.446 1.00 0.00 C ATOM 125 CG TYR A 11 -1.445 -8.937 -0.984 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.189 -9.213 0.344 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.409 -8.909 -1.895 1.00 0.00 C ATOM 128 CE1 TYR A 11 0.160 -9.470 0.780 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.940 -9.167 -1.459 1.00 0.00 C ATOM 130 CZ TYR A 11 1.158 -9.435 -0.143 1.00 0.00 C ATOM 131 OH TYR A 11 2.430 -9.679 0.267 1.00 0.00 O ATOM 0 H TYR A 11 -2.172 -10.591 -2.727 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.115 -10.239 -0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.848 -8.185 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.341 -7.954 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.000 -9.236 1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.609 -8.694 -2.934 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.374 -9.686 1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.760 -9.148 -2.161 1.00 0.00 H new ATOM 0 HH TYR A 11 2.438 -10.458 0.862 1.00 0.00 H new ATOM 141 N SER A 12 -5.632 -10.673 -2.838 1.00 0.00 N ATOM 142 CA SER A 12 -6.811 -10.533 -3.674 1.00 0.00 C ATOM 143 C SER A 12 -7.492 -9.190 -3.399 1.00 0.00 C ATOM 144 O SER A 12 -7.391 -8.654 -2.297 1.00 0.00 O ATOM 145 CB SER A 12 -7.793 -11.683 -3.440 1.00 0.00 C ATOM 146 OG SER A 12 -8.235 -12.266 -4.663 1.00 0.00 O ATOM 0 H SER A 12 -5.370 -11.636 -2.628 1.00 0.00 H new ATOM 0 HA SER A 12 -6.496 -10.567 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.317 -12.447 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.654 -11.316 -2.881 1.00 0.00 H new ATOM 0 HG SER A 12 -8.859 -12.997 -4.470 1.00 0.00 H new ATOM 152 N SER A 13 -8.170 -8.687 -4.420 1.00 0.00 N ATOM 153 CA SER A 13 -8.867 -7.418 -4.301 1.00 0.00 C ATOM 154 C SER A 13 -9.513 -7.302 -2.920 1.00 0.00 C ATOM 155 O SER A 13 -9.776 -6.199 -2.443 1.00 0.00 O ATOM 156 CB SER A 13 -9.925 -7.266 -5.396 1.00 0.00 C ATOM 157 OG SER A 13 -11.068 -8.081 -5.152 1.00 0.00 O ATOM 0 H SER A 13 -8.251 -9.135 -5.333 1.00 0.00 H new ATOM 0 HA SER A 13 -8.139 -6.616 -4.422 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.232 -6.222 -5.461 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.490 -7.531 -6.360 1.00 0.00 H new ATOM 0 HG SER A 13 -11.720 -7.954 -5.872 1.00 0.00 H new ATOM 163 N SER A 14 -9.751 -8.457 -2.314 1.00 0.00 N ATOM 164 CA SER A 14 -10.361 -8.498 -0.996 1.00 0.00 C ATOM 165 C SER A 14 -9.300 -8.263 0.080 1.00 0.00 C ATOM 166 O SER A 14 -9.614 -7.800 1.175 1.00 0.00 O ATOM 167 CB SER A 14 -11.069 -9.834 -0.760 1.00 0.00 C ATOM 168 OG SER A 14 -11.765 -9.857 0.484 1.00 0.00 O ATOM 0 H SER A 14 -9.532 -9.370 -2.712 1.00 0.00 H new ATOM 0 HA SER A 14 -11.107 -7.706 -0.939 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.772 -10.020 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.337 -10.641 -0.781 1.00 0.00 H new ATOM 0 HG SER A 14 -12.205 -10.726 0.597 1.00 0.00 H new ATOM 174 N ASP A 15 -8.065 -8.594 -0.269 1.00 0.00 N ATOM 175 CA ASP A 15 -6.956 -8.424 0.653 1.00 0.00 C ATOM 176 C ASP A 15 -6.434 -6.989 0.560 1.00 0.00 C ATOM 177 O ASP A 15 -5.801 -6.492 1.489 1.00 0.00 O ATOM 178 CB ASP A 15 -5.802 -9.369 0.308 1.00 0.00 C ATOM 179 CG ASP A 15 -5.733 -10.641 1.156 1.00 0.00 C ATOM 180 OD1 ASP A 15 -5.169 -10.552 2.267 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.247 -11.674 0.672 1.00 0.00 O ATOM 0 H ASP A 15 -7.809 -8.979 -1.178 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.317 -8.646 1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.886 -9.654 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.863 -8.826 0.417 1.00 0.00 H new ATOM 186 N VAL A 16 -6.719 -6.363 -0.574 1.00 0.00 N ATOM 187 CA VAL A 16 -6.287 -4.994 -0.802 1.00 0.00 C ATOM 188 C VAL A 16 -7.167 -4.045 0.012 1.00 0.00 C ATOM 189 O VAL A 16 -6.716 -3.464 0.998 1.00 0.00 O ATOM 190 CB VAL A 16 -6.298 -4.685 -2.300 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.181 -3.180 -2.550 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.188 -5.449 -3.026 1.00 0.00 C ATOM 0 H VAL A 16 -7.243 -6.779 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.260 -4.855 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.254 -5.019 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.191 -2.988 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.021 -2.667 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.248 -2.812 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.218 -5.211 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.220 -5.160 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.334 -6.520 -2.889 1.00 0.00 H new ATOM 202 N SER A 17 -8.409 -3.913 -0.432 1.00 0.00 N ATOM 203 CA SER A 17 -9.357 -3.043 0.242 1.00 0.00 C ATOM 204 C SER A 17 -9.146 -3.113 1.756 1.00 0.00 C ATOM 205 O SER A 17 -9.024 -2.083 2.417 1.00 0.00 O ATOM 206 CB SER A 17 -10.798 -3.420 -0.110 1.00 0.00 C ATOM 207 OG SER A 17 -11.731 -2.443 0.344 1.00 0.00 O ATOM 0 H SER A 17 -8.780 -4.395 -1.251 1.00 0.00 H new ATOM 0 HA SER A 17 -9.184 -2.022 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.889 -3.534 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.039 -4.386 0.334 1.00 0.00 H new ATOM 0 HG SER A 17 -12.639 -2.719 0.099 1.00 0.00 H new ATOM 213 N THR A 18 -9.110 -4.337 2.262 1.00 0.00 N ATOM 214 CA THR A 18 -8.916 -4.555 3.685 1.00 0.00 C ATOM 215 C THR A 18 -7.747 -3.711 4.198 1.00 0.00 C ATOM 216 O THR A 18 -7.883 -2.990 5.186 1.00 0.00 O ATOM 217 CB THR A 18 -8.729 -6.056 3.913 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.051 -6.542 4.126 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.003 -6.363 5.225 1.00 0.00 C ATOM 0 H THR A 18 -9.212 -5.189 1.711 1.00 0.00 H new ATOM 0 HA THR A 18 -9.786 -4.232 4.257 1.00 0.00 H new ATOM 0 HB THR A 18 -8.170 -6.483 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.023 -7.509 4.280 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.896 -7.442 5.338 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.016 -5.900 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.579 -5.966 6.061 1.00 0.00 H new ATOM 227 N ALA A 19 -6.625 -3.828 3.505 1.00 0.00 N ATOM 228 CA ALA A 19 -5.432 -3.087 3.879 1.00 0.00 C ATOM 229 C ALA A 19 -5.711 -1.587 3.752 1.00 0.00 C ATOM 230 O ALA A 19 -5.316 -0.804 4.615 1.00 0.00 O ATOM 231 CB ALA A 19 -4.257 -3.537 3.009 1.00 0.00 C ATOM 0 H ALA A 19 -6.516 -4.425 2.685 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.164 -3.288 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.362 -2.981 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.083 -4.603 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.487 -3.348 1.960 1.00 0.00 H new ATOM 237 N GLN A 20 -6.387 -1.232 2.670 1.00 0.00 N ATOM 238 CA GLN A 20 -6.723 0.159 2.419 1.00 0.00 C ATOM 239 C GLN A 20 -7.564 0.718 3.568 1.00 0.00 C ATOM 240 O GLN A 20 -7.178 1.696 4.206 1.00 0.00 O ATOM 241 CB GLN A 20 -7.449 0.316 1.082 1.00 0.00 C ATOM 242 CG GLN A 20 -6.933 -0.696 0.055 1.00 0.00 C ATOM 243 CD GLN A 20 -7.608 -0.491 -1.303 1.00 0.00 C ATOM 244 OE1 GLN A 20 -8.123 -1.413 -1.913 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.574 0.764 -1.740 1.00 0.00 N ATOM 0 H GLN A 20 -6.712 -1.884 1.956 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.797 0.730 2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.520 0.178 1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.307 1.328 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.853 -0.593 -0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.122 -1.709 0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.126 1.488 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.996 1.003 -2.637 1.00 0.00 H new ATOM 254 N ALA A 21 -8.699 0.072 3.797 1.00 0.00 N ATOM 255 CA ALA A 21 -9.597 0.492 4.858 1.00 0.00 C ATOM 256 C ALA A 21 -8.779 1.060 6.019 1.00 0.00 C ATOM 257 O ALA A 21 -9.210 1.998 6.688 1.00 0.00 O ATOM 258 CB ALA A 21 -10.473 -0.689 5.283 1.00 0.00 C ATOM 0 H ALA A 21 -9.016 -0.739 3.265 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.262 1.281 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.147 -0.374 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.056 -1.035 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.840 -1.500 5.643 1.00 0.00 H new ATOM 264 N ALA A 22 -7.613 0.465 6.225 1.00 0.00 N ATOM 265 CA ALA A 22 -6.729 0.900 7.294 1.00 0.00 C ATOM 266 C ALA A 22 -5.962 2.144 6.843 1.00 0.00 C ATOM 267 O ALA A 22 -5.922 3.147 7.555 1.00 0.00 O ATOM 268 CB ALA A 22 -5.799 -0.249 7.686 1.00 0.00 C ATOM 0 H ALA A 22 -7.260 -0.315 5.670 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.303 1.172 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.136 0.077 8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.392 -1.097 8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.205 -0.547 6.822 1.00 0.00 H new ATOM 274 N GLY A 23 -5.371 2.039 5.661 1.00 0.00 N ATOM 275 CA GLY A 23 -4.607 3.144 5.106 1.00 0.00 C ATOM 276 C GLY A 23 -5.490 4.378 4.911 1.00 0.00 C ATOM 277 O GLY A 23 -5.078 5.494 5.224 1.00 0.00 O ATOM 0 H GLY A 23 -5.406 1.206 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.778 3.387 5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.174 2.848 4.151 1.00 0.00 H new ATOM 281 N TYR A 24 -6.686 4.135 4.396 1.00 0.00 N ATOM 282 CA TYR A 24 -7.629 5.213 4.157 1.00 0.00 C ATOM 283 C TYR A 24 -8.211 5.736 5.473 1.00 0.00 C ATOM 284 O TYR A 24 -8.012 6.897 5.826 1.00 0.00 O ATOM 285 CB TYR A 24 -8.758 4.609 3.319 1.00 0.00 C ATOM 286 CG TYR A 24 -9.615 5.643 2.589 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.341 6.989 2.729 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.662 5.233 1.790 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.148 7.964 2.041 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.470 6.207 1.102 1.00 0.00 C ATOM 291 CZ TYR A 24 -11.173 7.525 1.262 1.00 0.00 C ATOM 292 OH TYR A 24 -11.934 8.445 0.613 1.00 0.00 O ATOM 0 H TYR A 24 -7.023 3.208 4.138 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.137 6.048 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.327 3.927 2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.400 4.014 3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.521 7.311 3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.876 4.180 1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.944 9.020 2.141 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.292 5.898 0.474 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.544 8.630 -0.267 1.00 0.00 H new ATOM 302 N LYS A 25 -8.919 4.852 6.161 1.00 0.00 N ATOM 303 CA LYS A 25 -9.532 5.209 7.429 1.00 0.00 C ATOM 304 C LYS A 25 -8.603 6.159 8.190 1.00 0.00 C ATOM 305 O LYS A 25 -8.971 7.297 8.474 1.00 0.00 O ATOM 306 CB LYS A 25 -9.904 3.952 8.217 1.00 0.00 C ATOM 307 CG LYS A 25 -10.535 4.315 9.563 1.00 0.00 C ATOM 308 CD LYS A 25 -11.937 4.897 9.371 1.00 0.00 C ATOM 309 CE LYS A 25 -12.657 5.046 10.713 1.00 0.00 C ATOM 310 NZ LYS A 25 -13.290 3.768 11.107 1.00 0.00 N ATOM 0 H LYS A 25 -9.082 3.890 5.864 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.468 5.742 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.600 3.347 7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.014 3.344 8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.589 3.428 10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.905 5.038 10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.868 5.868 8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.517 4.249 8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.948 5.359 11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.414 5.827 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.774 3.887 12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.981 3.485 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.561 3.032 11.196 1.00 0.00 H new ATOM 324 N LEU A 26 -7.417 5.654 8.497 1.00 0.00 N ATOM 325 CA LEU A 26 -6.433 6.444 9.218 1.00 0.00 C ATOM 326 C LEU A 26 -6.123 7.714 8.425 1.00 0.00 C ATOM 327 O LEU A 26 -5.923 8.780 9.005 1.00 0.00 O ATOM 328 CB LEU A 26 -5.197 5.599 9.536 1.00 0.00 C ATOM 329 CG LEU A 26 -4.066 6.317 10.273 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.121 6.032 11.775 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.705 5.960 9.671 1.00 0.00 C ATOM 0 H LEU A 26 -7.115 4.709 8.260 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.831 6.761 10.182 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.510 4.745 10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.801 5.204 8.601 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.203 7.391 10.144 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.305 6.555 12.275 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.074 6.378 12.176 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.023 4.960 11.946 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.918 6.484 10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.544 4.885 9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.682 6.257 8.622 1.00 0.00 H new ATOM 343 N HIS A 27 -6.091 7.558 7.109 1.00 0.00 N ATOM 344 CA HIS A 27 -5.808 8.679 6.229 1.00 0.00 C ATOM 345 C HIS A 27 -6.920 9.722 6.353 1.00 0.00 C ATOM 346 O HIS A 27 -6.647 10.909 6.527 1.00 0.00 O ATOM 347 CB HIS A 27 -5.599 8.202 4.790 1.00 0.00 C ATOM 348 CG HIS A 27 -5.489 9.321 3.782 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.505 10.292 3.845 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.247 9.612 2.686 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.674 11.125 2.829 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.754 10.701 2.112 1.00 0.00 N ATOM 0 H HIS A 27 -6.256 6.672 6.631 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.875 9.156 6.530 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.693 7.597 4.746 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.429 7.554 4.509 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.104 9.051 2.344 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.064 11.988 2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.122 11.148 1.272 1.00 0.00 H new ATOM 361 N GLU A 28 -8.151 9.242 6.257 1.00 0.00 N ATOM 362 CA GLU A 28 -9.307 10.118 6.356 1.00 0.00 C ATOM 363 C GLU A 28 -9.328 10.816 7.717 1.00 0.00 C ATOM 364 O GLU A 28 -9.894 11.899 7.854 1.00 0.00 O ATOM 365 CB GLU A 28 -10.603 9.343 6.116 1.00 0.00 C ATOM 366 CG GLU A 28 -10.313 7.893 5.725 1.00 0.00 C ATOM 367 CD GLU A 28 -11.601 7.156 5.353 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.570 7.279 6.132 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.587 6.486 4.297 1.00 0.00 O ATOM 0 H GLU A 28 -8.374 8.257 6.112 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.230 10.880 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.215 9.364 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.179 9.827 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.621 7.871 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.823 7.381 6.553 1.00 0.00 H new ATOM 376 N ASP A 29 -8.705 10.166 8.689 1.00 0.00 N ATOM 377 CA ASP A 29 -8.646 10.711 10.035 1.00 0.00 C ATOM 378 C ASP A 29 -7.403 11.592 10.169 1.00 0.00 C ATOM 379 O ASP A 29 -7.314 12.413 11.082 1.00 0.00 O ATOM 380 CB ASP A 29 -8.549 9.595 11.077 1.00 0.00 C ATOM 381 CG ASP A 29 -9.892 9.020 11.535 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.902 9.737 11.369 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.877 7.877 12.039 1.00 0.00 O ATOM 0 H ASP A 29 -8.237 9.267 8.572 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.556 11.286 10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.945 8.786 10.666 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.018 9.977 11.949 1.00 0.00 H new ATOM 388 N GLY A 30 -6.473 11.393 9.247 1.00 0.00 N ATOM 389 CA GLY A 30 -5.238 12.160 9.252 1.00 0.00 C ATOM 390 C GLY A 30 -4.273 11.639 10.318 1.00 0.00 C ATOM 391 O GLY A 30 -3.400 12.371 10.782 1.00 0.00 O ATOM 0 H GLY A 30 -6.549 10.712 8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.767 12.103 8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.459 13.211 9.439 1.00 0.00 H new ATOM 395 N GLU A 31 -4.463 10.377 10.677 1.00 0.00 N ATOM 396 CA GLU A 31 -3.620 9.750 11.681 1.00 0.00 C ATOM 397 C GLU A 31 -2.534 8.906 11.010 1.00 0.00 C ATOM 398 O GLU A 31 -2.536 8.740 9.791 1.00 0.00 O ATOM 399 CB GLU A 31 -4.453 8.904 12.646 1.00 0.00 C ATOM 400 CG GLU A 31 -5.273 9.792 13.584 1.00 0.00 C ATOM 401 CD GLU A 31 -4.389 10.401 14.675 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.169 10.503 14.424 1.00 0.00 O ATOM 403 OE2 GLU A 31 -4.954 10.751 15.734 1.00 0.00 O ATOM 0 H GLU A 31 -5.188 9.772 10.291 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.136 10.535 12.262 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.119 8.252 12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.796 8.260 13.231 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.751 10.587 13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.070 9.206 14.042 1.00 0.00 H new ATOM 410 N THR A 32 -1.632 8.395 11.835 1.00 0.00 N ATOM 411 CA THR A 32 -0.542 7.573 11.337 1.00 0.00 C ATOM 412 C THR A 32 -0.535 6.215 12.041 1.00 0.00 C ATOM 413 O THR A 32 -1.381 5.948 12.893 1.00 0.00 O ATOM 414 CB THR A 32 0.760 8.357 11.513 1.00 0.00 C ATOM 415 OG1 THR A 32 0.848 8.573 12.918 1.00 0.00 O ATOM 416 CG2 THR A 32 0.680 9.766 10.922 1.00 0.00 C ATOM 0 H THR A 32 -1.634 8.534 12.845 1.00 0.00 H new ATOM 0 HA THR A 32 -0.664 7.353 10.276 1.00 0.00 H new ATOM 0 HB THR A 32 1.578 7.812 11.041 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.665 9.074 13.121 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.630 10.279 11.074 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.469 9.701 9.855 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.116 10.323 11.416 1.00 0.00 H new ATOM 424 N VAL A 33 0.431 5.392 11.661 1.00 0.00 N ATOM 425 CA VAL A 33 0.561 4.069 12.245 1.00 0.00 C ATOM 426 C VAL A 33 2.044 3.740 12.429 1.00 0.00 C ATOM 427 O VAL A 33 2.839 3.903 11.505 1.00 0.00 O ATOM 428 CB VAL A 33 -0.176 3.041 11.383 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.474 3.628 10.822 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.722 2.522 10.259 1.00 0.00 C ATOM 0 H VAL A 33 1.132 5.617 10.955 1.00 0.00 H new ATOM 0 HA VAL A 33 0.097 4.040 13.231 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.437 2.195 12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.979 2.878 10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.124 3.925 11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.244 4.499 10.208 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.173 1.793 9.662 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.028 3.354 9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.605 2.049 10.688 1.00 0.00 H new ATOM 440 N GLY A 34 2.372 3.282 13.629 1.00 0.00 N ATOM 441 CA GLY A 34 3.745 2.929 13.945 1.00 0.00 C ATOM 442 C GLY A 34 4.573 4.177 14.261 1.00 0.00 C ATOM 443 O GLY A 34 4.030 5.196 14.683 1.00 0.00 O ATOM 0 H GLY A 34 1.710 3.148 14.393 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.763 2.251 14.798 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.190 2.396 13.105 1.00 0.00 H new ATOM 447 N SER A 35 5.874 4.055 14.044 1.00 0.00 N ATOM 448 CA SER A 35 6.783 5.160 14.300 1.00 0.00 C ATOM 449 C SER A 35 7.049 5.929 13.004 1.00 0.00 C ATOM 450 O SER A 35 8.016 6.684 12.914 1.00 0.00 O ATOM 451 CB SER A 35 8.098 4.663 14.903 1.00 0.00 C ATOM 452 OG SER A 35 8.810 5.706 15.563 1.00 0.00 O ATOM 0 H SER A 35 6.321 3.208 13.694 1.00 0.00 H new ATOM 0 HA SER A 35 6.314 5.829 15.022 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.892 3.860 15.611 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.722 4.241 14.115 1.00 0.00 H new ATOM 0 HG SER A 35 8.862 6.489 14.976 1.00 0.00 H new ATOM 458 N ASN A 36 6.174 5.711 12.034 1.00 0.00 N ATOM 459 CA ASN A 36 6.304 6.375 10.747 1.00 0.00 C ATOM 460 C ASN A 36 5.130 7.338 10.555 1.00 0.00 C ATOM 461 O ASN A 36 4.411 7.642 11.505 1.00 0.00 O ATOM 462 CB ASN A 36 6.276 5.362 9.600 1.00 0.00 C ATOM 463 CG ASN A 36 7.682 5.123 9.046 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.680 5.531 9.618 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.704 4.442 7.904 1.00 0.00 N ATOM 0 H ASN A 36 5.373 5.085 12.112 1.00 0.00 H new ATOM 0 HA ASN A 36 7.255 6.907 10.736 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.855 4.420 9.952 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.625 5.725 8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.594 4.231 7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.831 4.130 7.479 1.00 0.00 H new ATOM 472 N SER A 37 4.975 7.792 9.320 1.00 0.00 N ATOM 473 CA SER A 37 3.901 8.715 8.992 1.00 0.00 C ATOM 474 C SER A 37 3.000 8.106 7.917 1.00 0.00 C ATOM 475 O SER A 37 2.581 8.797 6.989 1.00 0.00 O ATOM 476 CB SER A 37 4.458 10.060 8.521 1.00 0.00 C ATOM 477 OG SER A 37 5.158 9.945 7.285 1.00 0.00 O ATOM 0 H SER A 37 5.575 7.538 8.535 1.00 0.00 H new ATOM 0 HA SER A 37 3.312 8.892 9.892 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.640 10.772 8.410 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.128 10.461 9.281 1.00 0.00 H new ATOM 0 HG SER A 37 5.496 10.825 7.018 1.00 0.00 H new ATOM 483 N TYR A 38 2.726 6.820 8.076 1.00 0.00 N ATOM 484 CA TYR A 38 1.882 6.111 7.130 1.00 0.00 C ATOM 485 C TYR A 38 0.425 6.101 7.597 1.00 0.00 C ATOM 486 O TYR A 38 0.154 6.080 8.797 1.00 0.00 O ATOM 487 CB TYR A 38 2.403 4.674 7.093 1.00 0.00 C ATOM 488 CG TYR A 38 3.766 4.523 6.414 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.688 5.547 6.481 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.073 3.363 5.732 1.00 0.00 C ATOM 491 CE1 TYR A 38 5.970 5.406 5.841 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.355 3.221 5.092 1.00 0.00 C ATOM 493 CZ TYR A 38 6.240 4.249 5.179 1.00 0.00 C ATOM 494 OH TYR A 38 7.452 4.116 4.574 1.00 0.00 O ATOM 0 H TYR A 38 3.074 6.250 8.847 1.00 0.00 H new ATOM 0 HA TYR A 38 1.914 6.592 6.152 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.473 4.298 8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.678 4.049 6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.448 6.455 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.351 2.561 5.678 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.700 6.200 5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.608 2.319 4.555 1.00 0.00 H new ATOM 0 HH TYR A 38 7.507 3.239 4.141 1.00 0.00 H new ATOM 504 N PRO A 39 -0.499 6.116 6.599 1.00 0.00 N ATOM 505 CA PRO A 39 -0.093 6.139 5.204 1.00 0.00 C ATOM 506 C PRO A 39 0.412 7.526 4.804 1.00 0.00 C ATOM 507 O PRO A 39 0.621 8.386 5.659 1.00 0.00 O ATOM 508 CB PRO A 39 -1.328 5.710 4.428 1.00 0.00 C ATOM 509 CG PRO A 39 -2.503 5.910 5.370 1.00 0.00 C ATOM 510 CD PRO A 39 -1.948 6.110 6.772 1.00 0.00 C ATOM 0 HA PRO A 39 0.743 5.471 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.447 6.306 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.251 4.669 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.093 6.775 5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.166 5.046 5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.299 7.046 7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.264 5.309 7.441 1.00 0.00 H new ATOM 518 N HIS A 40 0.595 7.703 3.503 1.00 0.00 N ATOM 519 CA HIS A 40 1.072 8.972 2.979 1.00 0.00 C ATOM 520 C HIS A 40 1.267 8.860 1.466 1.00 0.00 C ATOM 521 O HIS A 40 1.248 7.762 0.913 1.00 0.00 O ATOM 522 CB HIS A 40 2.340 9.419 3.710 1.00 0.00 C ATOM 523 CG HIS A 40 3.551 8.568 3.413 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.253 8.652 2.223 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.179 7.618 4.164 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.254 7.786 2.267 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.206 7.146 3.470 1.00 0.00 N ATOM 0 H HIS A 40 0.421 6.988 2.796 1.00 0.00 H new ATOM 0 HA HIS A 40 0.328 9.748 3.158 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.559 10.452 3.439 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.153 9.404 4.784 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.036 9.275 1.445 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.889 7.303 5.156 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.981 7.616 1.487 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.853 6.423 3.784 1.00 0.00 H new ATOM 536 N LYS A 41 1.451 10.013 0.839 1.00 0.00 N ATOM 537 CA LYS A 41 1.649 10.060 -0.599 1.00 0.00 C ATOM 538 C LYS A 41 2.720 9.041 -0.995 1.00 0.00 C ATOM 539 O LYS A 41 3.467 8.559 -0.145 1.00 0.00 O ATOM 540 CB LYS A 41 1.962 11.487 -1.052 1.00 0.00 C ATOM 541 CG LYS A 41 3.403 11.601 -1.551 1.00 0.00 C ATOM 542 CD LYS A 41 3.537 12.717 -2.591 1.00 0.00 C ATOM 543 CE LYS A 41 4.849 13.481 -2.408 1.00 0.00 C ATOM 544 NZ LYS A 41 4.674 14.587 -1.441 1.00 0.00 N ATOM 0 H LYS A 41 1.467 10.922 1.301 1.00 0.00 H new ATOM 0 HA LYS A 41 0.733 9.780 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.275 11.779 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.805 12.178 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.068 11.800 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.717 10.653 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.496 12.291 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.696 13.405 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.626 12.802 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.182 13.878 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.574 15.095 -1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.947 15.243 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.377 14.201 -0.522 1.00 0.00 H new ATOM 558 N TYR A 42 2.760 8.743 -2.286 1.00 0.00 N ATOM 559 CA TYR A 42 3.728 7.791 -2.804 1.00 0.00 C ATOM 560 C TYR A 42 4.069 8.096 -4.264 1.00 0.00 C ATOM 561 O TYR A 42 4.689 7.279 -4.944 1.00 0.00 O ATOM 562 CB TYR A 42 3.053 6.420 -2.726 1.00 0.00 C ATOM 563 CG TYR A 42 3.779 5.324 -3.509 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.568 5.191 -4.866 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.644 4.469 -2.858 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.251 4.159 -5.603 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.327 3.437 -3.595 1.00 0.00 C ATOM 568 CZ TYR A 42 5.097 3.334 -4.931 1.00 0.00 C ATOM 569 OH TYR A 42 5.742 2.359 -5.627 1.00 0.00 O ATOM 0 H TYR A 42 2.138 9.144 -2.988 1.00 0.00 H new ATOM 0 HA TYR A 42 4.654 7.834 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.983 6.120 -1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.034 6.506 -3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.891 5.861 -5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.809 4.573 -1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.095 4.043 -6.665 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.006 2.760 -3.098 1.00 0.00 H new ATOM 0 HH TYR A 42 6.001 2.702 -6.508 1.00 0.00 H new ATOM 579 N ASN A 43 3.649 9.273 -4.703 1.00 0.00 N ATOM 580 CA ASN A 43 3.902 9.696 -6.070 1.00 0.00 C ATOM 581 C ASN A 43 4.860 8.707 -6.736 1.00 0.00 C ATOM 582 O ASN A 43 6.069 8.932 -6.769 1.00 0.00 O ATOM 583 CB ASN A 43 4.552 11.080 -6.107 1.00 0.00 C ATOM 584 CG ASN A 43 3.510 12.169 -6.372 1.00 0.00 C ATOM 585 OD1 ASN A 43 2.322 11.924 -5.826 1.00 0.00 O flip ATOM 586 ND2 ASN A 43 3.767 13.164 -7.029 1.00 0.00 N flip ATOM 0 H ASN A 43 3.135 9.947 -4.136 1.00 0.00 H new ATOM 0 HA ASN A 43 2.947 9.732 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.054 11.275 -5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.316 11.106 -6.884 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.701 13.290 -7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.048 13.870 -7.187 1.00 0.00 H new ATOM 593 N ASN A 44 4.284 7.630 -7.251 1.00 0.00 N ATOM 594 CA ASN A 44 5.072 6.604 -7.914 1.00 0.00 C ATOM 595 C ASN A 44 5.981 7.260 -8.955 1.00 0.00 C ATOM 596 O ASN A 44 5.814 8.436 -9.278 1.00 0.00 O ATOM 597 CB ASN A 44 4.172 5.600 -8.637 1.00 0.00 C ATOM 598 CG ASN A 44 3.657 6.177 -9.958 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.537 6.116 -10.954 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 2.537 6.647 -10.065 1.00 0.00 N flip ATOM 0 H ASN A 44 3.281 7.446 -7.223 1.00 0.00 H new ATOM 0 HA ASN A 44 5.656 6.083 -7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.727 4.681 -8.829 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.329 5.336 -7.998 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.911 6.663 -9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.226 7.025 -10.960 1.00 0.00 H new ATOM 607 N TYR A 45 6.922 6.472 -9.453 1.00 0.00 N ATOM 608 CA TYR A 45 7.858 6.960 -10.451 1.00 0.00 C ATOM 609 C TYR A 45 8.715 5.820 -11.005 1.00 0.00 C ATOM 610 O TYR A 45 8.945 5.740 -12.210 1.00 0.00 O ATOM 611 CB TYR A 45 8.763 7.959 -9.728 1.00 0.00 C ATOM 612 CG TYR A 45 8.332 9.418 -9.885 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.250 9.736 -10.681 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.025 10.417 -9.232 1.00 0.00 C ATOM 615 CE1 TYR A 45 6.845 11.110 -10.829 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.620 11.790 -9.380 1.00 0.00 C ATOM 617 CZ TYR A 45 7.549 12.069 -10.172 1.00 0.00 C ATOM 618 OH TYR A 45 7.166 13.366 -10.312 1.00 0.00 O ATOM 0 H TYR A 45 7.056 5.497 -9.183 1.00 0.00 H new ATOM 0 HA TYR A 45 7.325 7.410 -11.289 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.786 7.710 -8.667 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.780 7.849 -10.104 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.707 8.955 -11.193 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.872 10.168 -8.610 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.000 11.373 -11.449 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.154 12.581 -8.874 1.00 0.00 H new ATOM 0 HH TYR A 45 7.759 13.941 -9.785 1.00 0.00 H new ATOM 628 N GLU A 46 9.164 4.967 -10.097 1.00 0.00 N ATOM 629 CA GLU A 46 9.992 3.835 -10.479 1.00 0.00 C ATOM 630 C GLU A 46 9.428 3.165 -11.733 1.00 0.00 C ATOM 631 O GLU A 46 10.140 2.444 -12.430 1.00 0.00 O ATOM 632 CB GLU A 46 10.114 2.832 -9.329 1.00 0.00 C ATOM 633 CG GLU A 46 10.799 3.468 -8.118 1.00 0.00 C ATOM 634 CD GLU A 46 11.283 4.883 -8.441 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.390 4.988 -9.011 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.534 5.828 -8.112 1.00 0.00 O ATOM 0 H GLU A 46 8.971 5.036 -9.098 1.00 0.00 H new ATOM 0 HA GLU A 46 10.993 4.202 -10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.124 2.476 -9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.683 1.963 -9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.104 3.500 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.644 2.853 -7.809 1.00 0.00 H new ATOM 643 N GLY A 47 8.152 3.425 -11.982 1.00 0.00 N ATOM 644 CA GLY A 47 7.485 2.856 -13.140 1.00 0.00 C ATOM 645 C GLY A 47 6.368 1.900 -12.715 1.00 0.00 C ATOM 646 O GLY A 47 6.353 0.739 -13.118 1.00 0.00 O ATOM 0 H GLY A 47 7.563 4.022 -11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.070 3.655 -13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.209 2.323 -13.756 1.00 0.00 H new ATOM 650 N PHE A 48 5.460 2.425 -11.904 1.00 0.00 N ATOM 651 CA PHE A 48 4.343 1.633 -11.419 1.00 0.00 C ATOM 652 C PHE A 48 3.076 1.919 -12.229 1.00 0.00 C ATOM 653 O PHE A 48 2.709 3.077 -12.427 1.00 0.00 O ATOM 654 CB PHE A 48 4.106 2.039 -9.964 1.00 0.00 C ATOM 655 CG PHE A 48 5.194 1.564 -8.999 1.00 0.00 C ATOM 656 CD1 PHE A 48 5.135 0.312 -8.470 1.00 0.00 C ATOM 657 CD2 PHE A 48 6.221 2.392 -8.670 1.00 0.00 C ATOM 658 CE1 PHE A 48 6.145 -0.130 -7.577 1.00 0.00 C ATOM 659 CE2 PHE A 48 7.231 1.950 -7.776 1.00 0.00 C ATOM 660 CZ PHE A 48 7.172 0.698 -7.248 1.00 0.00 C ATOM 0 H PHE A 48 5.476 3.389 -11.571 1.00 0.00 H new ATOM 0 HA PHE A 48 4.571 0.571 -11.513 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.034 3.125 -9.908 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.146 1.639 -9.638 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.319 -0.346 -8.730 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.268 3.386 -9.089 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.098 -1.124 -7.158 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.047 2.608 -7.515 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.941 0.362 -6.568 1.00 0.00 H new ATOM 670 N ASP A 49 2.442 0.845 -12.675 1.00 0.00 N ATOM 671 CA ASP A 49 1.225 0.964 -13.458 1.00 0.00 C ATOM 672 C ASP A 49 0.014 0.757 -12.547 1.00 0.00 C ATOM 673 O ASP A 49 -0.785 -0.152 -12.767 1.00 0.00 O ATOM 674 CB ASP A 49 1.173 -0.093 -14.561 1.00 0.00 C ATOM 675 CG ASP A 49 2.536 -0.534 -15.099 1.00 0.00 C ATOM 676 OD1 ASP A 49 3.104 0.236 -15.904 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.978 -1.630 -14.695 1.00 0.00 O ATOM 0 H ASP A 49 2.749 -0.113 -12.508 1.00 0.00 H new ATOM 0 HA ASP A 49 1.212 1.956 -13.909 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.649 -0.969 -14.179 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.581 0.297 -15.389 1.00 0.00 H new ATOM 682 N PHE A 50 -0.083 1.613 -11.541 1.00 0.00 N ATOM 683 CA PHE A 50 -1.184 1.535 -10.594 1.00 0.00 C ATOM 684 C PHE A 50 -2.530 1.675 -11.306 1.00 0.00 C ATOM 685 O PHE A 50 -2.847 2.735 -11.843 1.00 0.00 O ATOM 686 CB PHE A 50 -1.016 2.699 -9.616 1.00 0.00 C ATOM 687 CG PHE A 50 0.208 2.574 -8.704 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.824 1.370 -8.554 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.679 3.665 -8.044 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.959 1.254 -7.709 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.813 3.549 -7.198 1.00 0.00 C ATOM 692 CZ PHE A 50 2.430 2.345 -7.049 1.00 0.00 C ATOM 0 H PHE A 50 0.582 2.365 -11.360 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.170 0.571 -10.086 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.942 3.628 -10.182 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.911 2.773 -8.998 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.450 0.503 -9.078 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.190 4.621 -8.163 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.448 0.299 -7.591 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.186 4.416 -6.673 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.294 2.256 -6.407 1.00 0.00 H new ATOM 702 N SER A 51 -3.288 0.587 -11.289 1.00 0.00 N ATOM 703 CA SER A 51 -4.593 0.574 -11.927 1.00 0.00 C ATOM 704 C SER A 51 -5.506 1.612 -11.269 1.00 0.00 C ATOM 705 O SER A 51 -6.668 1.751 -11.650 1.00 0.00 O ATOM 706 CB SER A 51 -5.229 -0.815 -11.853 1.00 0.00 C ATOM 707 OG SER A 51 -5.496 -1.209 -10.509 1.00 0.00 O ATOM 0 H SER A 51 -3.022 -0.291 -10.843 1.00 0.00 H new ATOM 0 HA SER A 51 -4.462 0.828 -12.979 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.158 -0.819 -12.423 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.565 -1.543 -12.319 1.00 0.00 H new ATOM 0 HG SER A 51 -5.903 -2.100 -10.504 1.00 0.00 H new ATOM 713 N VAL A 52 -4.948 2.312 -10.294 1.00 0.00 N ATOM 714 CA VAL A 52 -5.697 3.332 -9.581 1.00 0.00 C ATOM 715 C VAL A 52 -5.130 4.711 -9.926 1.00 0.00 C ATOM 716 O VAL A 52 -3.946 4.840 -10.233 1.00 0.00 O ATOM 717 CB VAL A 52 -5.681 3.039 -8.078 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.180 1.622 -7.792 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.285 3.258 -7.492 1.00 0.00 C ATOM 0 H VAL A 52 -3.985 2.193 -9.980 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.742 3.323 -9.890 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.361 3.738 -7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.159 1.439 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.201 1.515 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.536 0.901 -8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.301 3.043 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.575 2.594 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.983 4.293 -7.649 1.00 0.00 H new ATOM 729 N SER A 53 -6.003 5.706 -9.866 1.00 0.00 N ATOM 730 CA SER A 53 -5.604 7.070 -10.169 1.00 0.00 C ATOM 731 C SER A 53 -5.056 7.747 -8.911 1.00 0.00 C ATOM 732 O SER A 53 -5.134 7.189 -7.818 1.00 0.00 O ATOM 733 CB SER A 53 -6.776 7.873 -10.737 1.00 0.00 C ATOM 734 OG SER A 53 -6.393 9.198 -11.094 1.00 0.00 O ATOM 0 H SER A 53 -6.985 5.595 -9.612 1.00 0.00 H new ATOM 0 HA SER A 53 -4.821 7.037 -10.926 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.174 7.362 -11.614 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.578 7.914 -10.000 1.00 0.00 H new ATOM 0 HG SER A 53 -7.169 9.677 -11.454 1.00 0.00 H new ATOM 740 N SER A 54 -4.514 8.940 -9.108 1.00 0.00 N ATOM 741 CA SER A 54 -3.954 9.699 -8.003 1.00 0.00 C ATOM 742 C SER A 54 -5.072 10.393 -7.225 1.00 0.00 C ATOM 743 O SER A 54 -6.194 10.511 -7.714 1.00 0.00 O ATOM 744 CB SER A 54 -2.936 10.727 -8.501 1.00 0.00 C ATOM 745 OG SER A 54 -3.449 11.508 -9.576 1.00 0.00 O ATOM 0 H SER A 54 -4.451 9.399 -10.016 1.00 0.00 H new ATOM 0 HA SER A 54 -3.436 9.006 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.652 11.384 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.031 10.213 -8.826 1.00 0.00 H new ATOM 0 HG SER A 54 -2.770 12.153 -9.864 1.00 0.00 H new ATOM 751 N PRO A 55 -4.718 10.846 -5.992 1.00 0.00 N ATOM 752 CA PRO A 55 -3.368 10.667 -5.487 1.00 0.00 C ATOM 753 C PRO A 55 -3.132 9.216 -5.059 1.00 0.00 C ATOM 754 O PRO A 55 -4.062 8.411 -5.044 1.00 0.00 O ATOM 755 CB PRO A 55 -3.243 11.653 -4.337 1.00 0.00 C ATOM 756 CG PRO A 55 -4.665 12.016 -3.943 1.00 0.00 C ATOM 757 CD PRO A 55 -5.592 11.541 -5.050 1.00 0.00 C ATOM 0 HA PRO A 55 -2.607 10.860 -6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.707 11.209 -3.498 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.684 12.538 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.930 11.547 -2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.759 13.093 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.364 10.877 -4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.102 12.378 -5.526 1.00 0.00 H new ATOM 765 N TYR A 56 -1.884 8.928 -4.722 1.00 0.00 N ATOM 766 CA TYR A 56 -1.514 7.590 -4.294 1.00 0.00 C ATOM 767 C TYR A 56 -1.019 7.593 -2.846 1.00 0.00 C ATOM 768 O TYR A 56 -0.118 8.355 -2.497 1.00 0.00 O ATOM 769 CB TYR A 56 -0.369 7.155 -5.212 1.00 0.00 C ATOM 770 CG TYR A 56 -0.798 6.878 -6.654 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.103 6.522 -6.929 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.119 6.985 -7.679 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.507 6.260 -8.287 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.285 6.724 -9.037 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.578 6.375 -9.273 1.00 0.00 C ATOM 776 OH TYR A 56 -1.959 6.129 -10.555 1.00 0.00 O ATOM 0 H TYR A 56 -1.116 9.599 -4.737 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.372 6.919 -4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.396 7.931 -5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.090 6.256 -4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.821 6.440 -6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.140 7.264 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.524 5.979 -8.516 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.423 6.804 -9.849 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.917 5.922 -10.578 1.00 0.00 H new ATOM 786 N TYR A 57 -1.628 6.734 -2.044 1.00 0.00 N ATOM 787 CA TYR A 57 -1.260 6.628 -0.642 1.00 0.00 C ATOM 788 C TYR A 57 -0.607 5.277 -0.347 1.00 0.00 C ATOM 789 O TYR A 57 -1.232 4.231 -0.516 1.00 0.00 O ATOM 790 CB TYR A 57 -2.568 6.732 0.145 1.00 0.00 C ATOM 791 CG TYR A 57 -3.328 8.041 -0.078 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.689 9.118 -0.659 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.651 8.145 0.301 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.405 10.350 -0.869 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.365 9.377 0.091 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.706 10.419 -0.484 1.00 0.00 C ATOM 797 OH TYR A 57 -5.382 11.582 -0.682 1.00 0.00 O ATOM 0 H TYR A 57 -2.375 6.104 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.546 7.406 -0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.213 5.898 -0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.350 6.628 1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.654 9.037 -0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.151 7.302 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.918 11.201 -1.323 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.400 9.472 0.383 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.745 12.302 -0.872 1.00 0.00 H new ATOM 807 N GLU A 58 0.643 5.343 0.088 1.00 0.00 N ATOM 808 CA GLU A 58 1.388 4.137 0.408 1.00 0.00 C ATOM 809 C GLU A 58 0.971 3.604 1.780 1.00 0.00 C ATOM 810 O GLU A 58 0.802 4.375 2.723 1.00 0.00 O ATOM 811 CB GLU A 58 2.896 4.394 0.354 1.00 0.00 C ATOM 812 CG GLU A 58 3.304 5.471 1.362 1.00 0.00 C ATOM 813 CD GLU A 58 3.237 4.936 2.794 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.790 3.838 3.016 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.633 5.638 3.633 1.00 0.00 O ATOM 0 H GLU A 58 1.158 6.212 0.226 1.00 0.00 H new ATOM 0 HA GLU A 58 1.155 3.379 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.434 3.470 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.180 4.705 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.316 5.813 1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.647 6.335 1.262 1.00 0.00 H new ATOM 822 N TRP A 59 0.819 2.290 1.847 1.00 0.00 N ATOM 823 CA TRP A 59 0.425 1.645 3.088 1.00 0.00 C ATOM 824 C TRP A 59 0.856 0.178 3.016 1.00 0.00 C ATOM 825 O TRP A 59 0.809 -0.435 1.951 1.00 0.00 O ATOM 826 CB TRP A 59 -1.073 1.815 3.344 1.00 0.00 C ATOM 827 CG TRP A 59 -1.609 0.966 4.498 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.232 -0.218 4.431 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.542 1.287 5.904 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.571 -0.683 5.686 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.138 0.261 6.610 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.998 2.405 6.557 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.246 0.252 8.005 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.113 2.382 7.952 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.709 1.357 8.677 1.00 0.00 C ATOM 0 H TRP A 59 0.961 1.654 1.062 1.00 0.00 H new ATOM 0 HA TRP A 59 0.920 2.113 3.939 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.278 2.865 3.553 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.618 1.559 2.435 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.443 -0.743 3.511 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.051 -1.558 5.896 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.528 3.219 6.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.718 -0.563 8.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.711 3.219 8.503 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.758 1.412 9.754 1.00 0.00 H new ATOM 846 N PRO A 60 1.278 -0.355 4.193 1.00 0.00 N ATOM 847 CA PRO A 60 1.717 -1.739 4.274 1.00 0.00 C ATOM 848 C PRO A 60 0.524 -2.695 4.227 1.00 0.00 C ATOM 849 O PRO A 60 -0.554 -2.376 4.726 1.00 0.00 O ATOM 850 CB PRO A 60 2.500 -1.828 5.573 1.00 0.00 C ATOM 851 CG PRO A 60 2.080 -0.621 6.397 1.00 0.00 C ATOM 852 CD PRO A 60 1.347 0.340 5.475 1.00 0.00 C ATOM 0 HA PRO A 60 2.340 -2.034 3.429 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.279 -2.756 6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.573 -1.817 5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.435 -0.927 7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.952 -0.137 6.838 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.351 0.571 5.854 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.881 1.286 5.384 1.00 0.00 H new ATOM 860 N ILE A 61 0.758 -3.852 3.623 1.00 0.00 N ATOM 861 CA ILE A 61 -0.285 -4.857 3.505 1.00 0.00 C ATOM 862 C ILE A 61 0.088 -6.074 4.355 1.00 0.00 C ATOM 863 O ILE A 61 1.132 -6.688 4.143 1.00 0.00 O ATOM 864 CB ILE A 61 -0.542 -5.192 2.034 1.00 0.00 C ATOM 865 CG1 ILE A 61 -1.924 -5.822 1.849 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.572 -6.075 1.469 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.362 -5.764 0.384 1.00 0.00 C ATOM 0 H ILE A 61 1.653 -4.115 3.211 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.229 -4.473 3.891 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.533 -4.262 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.903 -6.859 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.652 -5.300 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.364 -6.298 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.525 -5.552 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.621 -7.005 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.347 -6.218 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.406 -4.725 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.645 -6.307 -0.232 1.00 0.00 H new ATOM 879 N LEU A 62 -0.786 -6.385 5.300 1.00 0.00 N ATOM 880 CA LEU A 62 -0.563 -7.517 6.184 1.00 0.00 C ATOM 881 C LEU A 62 -1.062 -8.795 5.505 1.00 0.00 C ATOM 882 O LEU A 62 -2.223 -8.878 5.109 1.00 0.00 O ATOM 883 CB LEU A 62 -1.195 -7.261 7.554 1.00 0.00 C ATOM 884 CG LEU A 62 -0.485 -6.234 8.438 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.416 -5.724 9.540 1.00 0.00 C ATOM 886 CD2 LEU A 62 0.816 -6.806 9.005 1.00 0.00 C ATOM 0 H LEU A 62 -1.651 -5.873 5.473 1.00 0.00 H new ATOM 0 HA LEU A 62 0.503 -7.650 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.223 -6.932 7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.240 -8.207 8.094 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.217 -5.377 7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.887 -4.995 10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.290 -5.253 9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.735 -6.560 10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.301 -6.056 9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.594 -7.689 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.480 -7.081 8.186 1.00 0.00 H new ATOM 898 N SER A 63 -0.159 -9.758 5.392 1.00 0.00 N ATOM 899 CA SER A 63 -0.493 -11.027 4.768 1.00 0.00 C ATOM 900 C SER A 63 -1.515 -11.778 5.625 1.00 0.00 C ATOM 901 O SER A 63 -1.926 -12.884 5.279 1.00 0.00 O ATOM 902 CB SER A 63 0.757 -11.884 4.561 1.00 0.00 C ATOM 903 OG SER A 63 1.042 -12.088 3.179 1.00 0.00 O ATOM 0 H SER A 63 0.803 -9.685 5.722 1.00 0.00 H new ATOM 0 HA SER A 63 -0.928 -10.824 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.610 -11.403 5.040 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.620 -12.849 5.049 1.00 0.00 H new ATOM 0 HG SER A 63 1.848 -12.638 3.089 1.00 0.00 H new ATOM 909 N SER A 64 -1.896 -11.145 6.725 1.00 0.00 N ATOM 910 CA SER A 64 -2.863 -11.739 7.632 1.00 0.00 C ATOM 911 C SER A 64 -4.226 -11.066 7.460 1.00 0.00 C ATOM 912 O SER A 64 -5.218 -11.507 8.039 1.00 0.00 O ATOM 913 CB SER A 64 -2.395 -11.626 9.085 1.00 0.00 C ATOM 914 OG SER A 64 -1.624 -12.755 9.486 1.00 0.00 O ATOM 0 H SER A 64 -1.553 -10.227 7.008 1.00 0.00 H new ATOM 0 HA SER A 64 -2.955 -12.797 7.388 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.801 -10.720 9.205 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.262 -11.528 9.739 1.00 0.00 H new ATOM 0 HG SER A 64 -1.343 -12.645 10.418 1.00 0.00 H new ATOM 920 N GLY A 65 -4.231 -10.009 6.660 1.00 0.00 N ATOM 921 CA GLY A 65 -5.456 -9.270 6.405 1.00 0.00 C ATOM 922 C GLY A 65 -5.841 -8.412 7.610 1.00 0.00 C ATOM 923 O GLY A 65 -7.019 -8.295 7.944 1.00 0.00 O ATOM 0 H GLY A 65 -3.407 -9.647 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.326 -8.635 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.264 -9.966 6.177 1.00 0.00 H new ATOM 927 N ASP A 66 -4.825 -7.832 8.232 1.00 0.00 N ATOM 928 CA ASP A 66 -5.042 -6.987 9.395 1.00 0.00 C ATOM 929 C ASP A 66 -4.649 -5.549 9.054 1.00 0.00 C ATOM 930 O ASP A 66 -4.548 -5.189 7.882 1.00 0.00 O ATOM 931 CB ASP A 66 -4.184 -7.444 10.576 1.00 0.00 C ATOM 932 CG ASP A 66 -4.596 -8.782 11.194 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.761 -9.743 10.411 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.739 -8.814 12.436 1.00 0.00 O ATOM 0 H ASP A 66 -3.849 -7.930 7.953 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.095 -7.053 9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.148 -7.517 10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.219 -6.677 11.350 1.00 0.00 H new ATOM 939 N VAL A 67 -4.437 -4.764 10.101 1.00 0.00 N ATOM 940 CA VAL A 67 -4.056 -3.372 9.928 1.00 0.00 C ATOM 941 C VAL A 67 -2.666 -3.149 10.526 1.00 0.00 C ATOM 942 O VAL A 67 -2.455 -3.374 11.717 1.00 0.00 O ATOM 943 CB VAL A 67 -5.122 -2.459 10.536 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.563 -1.058 10.792 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.366 -2.399 9.647 1.00 0.00 C ATOM 0 H VAL A 67 -4.522 -5.066 11.072 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.997 -3.121 8.869 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.417 -2.883 11.496 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.341 -0.429 11.224 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.723 -1.122 11.483 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.226 -0.623 9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.108 -1.743 10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.093 -2.011 8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.784 -3.400 9.539 1.00 0.00 H new ATOM 955 N TYR A 68 -1.753 -2.711 9.672 1.00 0.00 N ATOM 956 CA TYR A 68 -0.388 -2.455 10.101 1.00 0.00 C ATOM 957 C TYR A 68 -0.317 -1.214 10.993 1.00 0.00 C ATOM 958 O TYR A 68 -0.472 -0.091 10.515 1.00 0.00 O ATOM 959 CB TYR A 68 0.415 -2.197 8.824 1.00 0.00 C ATOM 960 CG TYR A 68 1.297 -3.372 8.397 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.241 -3.878 9.267 1.00 0.00 C ATOM 962 CD2 TYR A 68 1.150 -3.924 7.141 1.00 0.00 C ATOM 963 CE1 TYR A 68 3.071 -4.983 8.865 1.00 0.00 C ATOM 964 CE2 TYR A 68 1.982 -5.029 6.739 1.00 0.00 C ATOM 965 CZ TYR A 68 2.901 -5.504 7.620 1.00 0.00 C ATOM 966 OH TYR A 68 3.686 -6.548 7.241 1.00 0.00 O ATOM 0 H TYR A 68 -1.931 -2.527 8.685 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.002 -3.298 10.674 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.275 -1.961 8.014 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.044 -1.319 8.973 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.357 -3.445 10.250 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.412 -3.528 6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.812 -5.390 9.537 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.878 -5.470 5.759 1.00 0.00 H new ATOM 0 HH TYR A 68 4.558 -6.479 7.683 1.00 0.00 H new ATOM 976 N SER A 69 -0.084 -1.458 12.275 1.00 0.00 N ATOM 977 CA SER A 69 0.010 -0.374 13.237 1.00 0.00 C ATOM 978 C SER A 69 1.461 -0.194 13.685 1.00 0.00 C ATOM 979 O SER A 69 1.724 0.097 14.851 1.00 0.00 O ATOM 980 CB SER A 69 -0.891 -0.633 14.448 1.00 0.00 C ATOM 981 OG SER A 69 -0.211 -1.351 15.474 1.00 0.00 O ATOM 0 H SER A 69 0.042 -2.390 12.669 1.00 0.00 H new ATOM 0 HA SER A 69 -0.330 0.542 12.753 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.247 0.318 14.845 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.770 -1.196 14.133 1.00 0.00 H new ATOM 0 HG SER A 69 0.563 -0.833 15.778 1.00 0.00 H new ATOM 987 N GLY A 70 2.367 -0.378 12.735 1.00 0.00 N ATOM 988 CA GLY A 70 3.786 -0.241 13.017 1.00 0.00 C ATOM 989 C GLY A 70 4.519 0.406 11.839 1.00 0.00 C ATOM 990 O GLY A 70 4.052 0.341 10.703 1.00 0.00 O ATOM 0 H GLY A 70 2.146 -0.621 11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.926 0.363 13.913 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.216 -1.221 13.223 1.00 0.00 H new ATOM 994 N GLY A 71 5.654 1.012 12.151 1.00 0.00 N ATOM 995 CA GLY A 71 6.457 1.668 11.133 1.00 0.00 C ATOM 996 C GLY A 71 7.246 0.646 10.313 1.00 0.00 C ATOM 997 O GLY A 71 7.749 0.962 9.237 1.00 0.00 O ATOM 0 H GLY A 71 6.037 1.063 13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.811 2.248 10.474 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.145 2.370 11.604 1.00 0.00 H new ATOM 1001 N SER A 72 7.333 -0.560 10.856 1.00 0.00 N ATOM 1002 CA SER A 72 8.054 -1.631 10.189 1.00 0.00 C ATOM 1003 C SER A 72 7.085 -2.747 9.794 1.00 0.00 C ATOM 1004 O SER A 72 6.964 -3.748 10.498 1.00 0.00 O ATOM 1005 CB SER A 72 9.166 -2.185 11.082 1.00 0.00 C ATOM 1006 OG SER A 72 9.906 -1.148 11.719 1.00 0.00 O ATOM 0 H SER A 72 6.916 -0.819 11.750 1.00 0.00 H new ATOM 0 HA SER A 72 8.516 -1.224 9.289 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.731 -2.838 11.839 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.841 -2.797 10.483 1.00 0.00 H new ATOM 0 HG SER A 72 10.605 -1.543 12.281 1.00 0.00 H new ATOM 1012 N PRO A 73 6.401 -2.531 8.638 1.00 0.00 N ATOM 1013 CA PRO A 73 5.446 -3.507 8.140 1.00 0.00 C ATOM 1014 C PRO A 73 6.163 -4.714 7.532 1.00 0.00 C ATOM 1015 O PRO A 73 5.794 -5.858 7.796 1.00 0.00 O ATOM 1016 CB PRO A 73 4.598 -2.749 7.132 1.00 0.00 C ATOM 1017 CG PRO A 73 5.399 -1.512 6.761 1.00 0.00 C ATOM 1018 CD PRO A 73 6.517 -1.357 7.779 1.00 0.00 C ATOM 0 HA PRO A 73 4.822 -3.926 8.929 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.395 -3.361 6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.633 -2.476 7.560 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.809 -1.610 5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.759 -0.629 6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.492 -1.316 7.293 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.407 -0.436 8.351 1.00 0.00 H new ATOM 1026 N GLY A 74 7.173 -4.419 6.728 1.00 0.00 N ATOM 1027 CA GLY A 74 7.944 -5.465 6.080 1.00 0.00 C ATOM 1028 C GLY A 74 8.374 -5.039 4.674 1.00 0.00 C ATOM 1029 O GLY A 74 9.097 -4.058 4.513 1.00 0.00 O ATOM 0 H GLY A 74 7.475 -3.469 6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.825 -5.696 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.350 -6.377 6.022 1.00 0.00 H new ATOM 1033 N ALA A 75 7.908 -5.798 3.693 1.00 0.00 N ATOM 1034 CA ALA A 75 8.235 -5.511 2.306 1.00 0.00 C ATOM 1035 C ALA A 75 6.950 -5.190 1.541 1.00 0.00 C ATOM 1036 O ALA A 75 6.901 -4.221 0.783 1.00 0.00 O ATOM 1037 CB ALA A 75 8.991 -6.697 1.704 1.00 0.00 C ATOM 0 H ALA A 75 7.307 -6.611 3.831 1.00 0.00 H new ATOM 0 HA ALA A 75 8.887 -4.640 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.236 -6.482 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.910 -6.866 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.367 -7.589 1.753 1.00 0.00 H new ATOM 1043 N ASP A 76 5.942 -6.020 1.764 1.00 0.00 N ATOM 1044 CA ASP A 76 4.661 -5.835 1.104 1.00 0.00 C ATOM 1045 C ASP A 76 4.079 -4.477 1.499 1.00 0.00 C ATOM 1046 O ASP A 76 3.955 -4.172 2.684 1.00 0.00 O ATOM 1047 CB ASP A 76 3.664 -6.918 1.525 1.00 0.00 C ATOM 1048 CG ASP A 76 4.265 -8.312 1.716 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.668 -8.902 0.692 1.00 0.00 O ATOM 1050 OD2 ASP A 76 4.307 -8.755 2.885 1.00 0.00 O ATOM 0 H ASP A 76 5.986 -6.822 2.392 1.00 0.00 H new ATOM 0 HA ASP A 76 4.824 -5.893 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.191 -6.612 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.877 -6.978 0.773 1.00 0.00 H new ATOM 1055 N ARG A 77 3.738 -3.697 0.484 1.00 0.00 N ATOM 1056 CA ARG A 77 3.172 -2.378 0.711 1.00 0.00 C ATOM 1057 C ARG A 77 2.167 -2.036 -0.390 1.00 0.00 C ATOM 1058 O ARG A 77 2.352 -2.415 -1.545 1.00 0.00 O ATOM 1059 CB ARG A 77 4.265 -1.308 0.744 1.00 0.00 C ATOM 1060 CG ARG A 77 5.417 -1.730 1.660 1.00 0.00 C ATOM 1061 CD ARG A 77 5.311 -1.046 3.024 1.00 0.00 C ATOM 1062 NE ARG A 77 6.619 -0.465 3.402 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.540 -1.103 4.137 1.00 0.00 C ATOM 1064 NH1 ARG A 77 7.302 -2.346 4.577 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.699 -0.498 4.431 1.00 0.00 N ATOM 0 H ARG A 77 3.843 -3.953 -0.498 1.00 0.00 H new ATOM 0 HA ARG A 77 2.667 -2.395 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.641 -1.136 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.845 -0.364 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.405 -2.812 1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.369 -1.475 1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.553 -0.264 2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.992 -1.766 3.777 1.00 0.00 H new ATOM 0 HE ARG A 77 6.833 0.480 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.420 -2.806 4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.003 -2.832 5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.880 0.448 4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.400 -0.984 4.991 1.00 0.00 H new ATOM 1079 N VAL A 78 1.123 -1.321 0.007 1.00 0.00 N ATOM 1080 CA VAL A 78 0.088 -0.923 -0.932 1.00 0.00 C ATOM 1081 C VAL A 78 0.170 0.586 -1.165 1.00 0.00 C ATOM 1082 O VAL A 78 0.700 1.319 -0.331 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.282 -1.377 -0.423 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.161 -2.647 0.420 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -1.971 -0.259 0.364 1.00 0.00 C ATOM 0 H VAL A 78 0.972 -1.008 0.966 1.00 0.00 H new ATOM 0 HA VAL A 78 0.239 -1.409 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.902 -1.609 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.149 -2.948 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.731 -3.446 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.516 -2.454 1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.943 -0.607 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.354 0.018 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.107 0.609 -0.281 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.361 1.007 -2.304 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.354 2.416 -2.658 1.00 0.00 C ATOM 1097 C VAL A 79 -1.710 2.793 -3.258 1.00 0.00 C ATOM 1098 O VAL A 79 -1.899 2.715 -4.471 1.00 0.00 O ATOM 1099 CB VAL A 79 0.819 2.715 -3.594 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.760 4.158 -4.101 1.00 0.00 C ATOM 1101 CG2 VAL A 79 2.155 2.428 -2.907 1.00 0.00 C ATOM 0 H VAL A 79 -0.799 0.396 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.209 3.032 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 79 0.738 2.053 -4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.604 4.345 -4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.171 4.314 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.804 4.843 -3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.972 2.649 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.249 3.053 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.197 1.378 -2.618 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.618 3.196 -2.381 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.951 3.585 -2.810 1.00 0.00 C ATOM 1113 C PHE A 80 -4.078 5.108 -2.888 1.00 0.00 C ATOM 1114 O PHE A 80 -3.075 5.815 -2.971 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.931 3.058 -1.760 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.825 3.757 -0.403 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.757 3.516 0.405 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.799 4.619 -0.004 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.659 4.165 1.664 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.700 5.268 1.255 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.633 5.027 2.063 1.00 0.00 C ATOM 0 H PHE A 80 -2.457 3.262 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.157 3.177 -3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.947 3.172 -2.137 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.760 1.990 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.984 2.831 0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.647 4.810 -0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.811 3.974 2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.472 5.953 1.571 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.559 5.520 3.021 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.320 5.568 -2.861 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.591 6.994 -2.928 1.00 0.00 C ATOM 1133 C ASN A 81 -6.639 7.359 -1.875 1.00 0.00 C ATOM 1134 O ASN A 81 -6.910 6.576 -0.967 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.144 7.385 -4.301 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.714 6.381 -5.372 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -6.345 5.213 -5.302 1.00 0.00 O flip ATOM 1138 ND2 ASN A 81 -4.865 6.649 -6.206 1.00 0.00 N flip ATOM 0 H ASN A 81 -6.150 4.979 -2.794 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.655 7.524 -2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.232 7.433 -4.258 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.791 8.381 -4.569 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.419 7.566 -6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.601 5.956 -6.906 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.197 8.551 -2.031 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.209 9.030 -1.105 1.00 0.00 C ATOM 1147 C GLU A 82 -9.605 8.637 -1.593 1.00 0.00 C ATOM 1148 O GLU A 82 -10.606 9.156 -1.102 1.00 0.00 O ATOM 1149 CB GLU A 82 -8.102 10.544 -0.911 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.543 10.950 0.496 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.504 12.470 0.667 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -9.422 13.125 0.129 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -7.557 12.942 1.331 1.00 0.00 O ATOM 0 H GLU A 82 -6.967 9.199 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.039 8.560 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.074 10.864 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.720 11.053 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.553 10.585 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.893 10.481 1.234 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.626 7.725 -2.554 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.883 7.256 -3.113 1.00 0.00 C ATOM 1162 C ASN A 83 -11.185 5.856 -2.576 1.00 0.00 C ATOM 1163 O ASN A 83 -12.338 5.427 -2.564 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.808 7.171 -4.638 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.361 7.272 -5.124 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.762 6.096 -5.286 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -8.823 8.347 -5.336 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.793 7.298 -2.960 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.663 7.962 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.243 6.230 -4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.400 7.972 -5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.341 9.214 -5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.856 8.378 -5.658 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.129 5.182 -2.144 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.267 3.839 -1.607 1.00 0.00 C ATOM 1176 C ASN A 84 -9.742 2.829 -2.629 1.00 0.00 C ATOM 1177 O ASN A 84 -10.087 1.650 -2.575 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.733 3.507 -1.324 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.437 3.011 -2.588 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -11.904 3.467 -3.718 1.00 0.00 O flip ATOM 1181 ND2 ASN A 84 -13.400 2.263 -2.541 1.00 0.00 N flip ATOM 0 H ASN A 84 -9.174 5.541 -2.155 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.700 3.788 -0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.793 2.745 -0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.243 4.392 -0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.759 1.950 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.846 1.950 -3.404 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.917 3.329 -3.537 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.341 2.485 -4.571 1.00 0.00 C ATOM 1190 C GLN A 85 -6.866 2.211 -4.272 1.00 0.00 C ATOM 1191 O GLN A 85 -6.050 3.131 -4.265 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.513 3.117 -5.953 1.00 0.00 C ATOM 1193 CG GLN A 85 -9.992 3.326 -6.281 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.160 4.185 -7.536 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.761 3.784 -8.519 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.596 5.387 -7.448 1.00 0.00 N ATOM 0 H GLN A 85 -8.633 4.308 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.873 1.534 -4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.991 4.073 -5.987 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.056 2.478 -6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.475 2.360 -6.430 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.491 3.805 -5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.107 5.660 -6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.652 6.035 -8.233 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.569 0.943 -4.031 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.206 0.537 -3.732 1.00 0.00 C ATOM 1207 C LEU A 86 -4.557 -0.026 -4.998 1.00 0.00 C ATOM 1208 O LEU A 86 -5.229 -0.648 -5.820 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.184 -0.431 -2.547 1.00 0.00 C ATOM 1210 CG LEU A 86 -3.857 -1.149 -2.293 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -3.929 -2.001 -1.024 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -3.436 -1.971 -3.512 1.00 0.00 C ATOM 0 H LEU A 86 -7.249 0.183 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.611 1.397 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.454 0.121 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.957 -1.183 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.086 -0.395 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.973 -2.501 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.150 -1.362 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.715 -2.748 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.490 -2.471 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.200 -2.717 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.317 -1.312 -4.372 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.259 0.211 -5.115 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.512 -0.265 -6.266 1.00 0.00 C ATOM 1226 C ALA A 87 -1.041 -0.432 -5.880 1.00 0.00 C ATOM 1227 O ALA A 87 -0.368 -1.341 -6.364 1.00 0.00 O ATOM 1228 CB ALA A 87 -2.701 0.706 -7.434 1.00 0.00 C ATOM 0 H ALA A 87 -2.705 0.727 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.881 -1.239 -6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.141 0.349 -8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.759 0.768 -7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.338 1.693 -7.149 1.00 0.00 H new ATOM 1234 N GLY A 88 -0.584 0.458 -5.012 1.00 0.00 N ATOM 1235 CA GLY A 88 0.795 0.420 -4.556 1.00 0.00 C ATOM 1236 C GLY A 88 1.103 -0.903 -3.851 1.00 0.00 C ATOM 1237 O GLY A 88 1.615 -0.910 -2.733 1.00 0.00 O ATOM 0 H GLY A 88 -1.145 1.210 -4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.466 0.549 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.980 1.251 -3.875 1.00 0.00 H new ATOM 1241 N VAL A 89 0.777 -1.990 -4.534 1.00 0.00 N ATOM 1242 CA VAL A 89 1.013 -3.315 -3.989 1.00 0.00 C ATOM 1243 C VAL A 89 2.489 -3.678 -4.160 1.00 0.00 C ATOM 1244 O VAL A 89 2.824 -4.839 -4.392 1.00 0.00 O ATOM 1245 CB VAL A 89 0.069 -4.326 -4.643 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.760 -5.679 -4.832 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.219 -4.477 -3.833 1.00 0.00 C ATOM 0 H VAL A 89 0.351 -1.980 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 89 0.796 -3.332 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.198 -3.946 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.067 -6.379 -5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.635 -5.555 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.070 -6.068 -3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.872 -5.201 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.978 -4.824 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.726 -3.514 -3.773 1.00 0.00 H new ATOM 1257 N ILE A 90 3.332 -2.663 -4.040 1.00 0.00 N ATOM 1258 CA ILE A 90 4.766 -2.860 -4.178 1.00 0.00 C ATOM 1259 C ILE A 90 5.265 -3.756 -3.042 1.00 0.00 C ATOM 1260 O ILE A 90 4.501 -4.112 -2.146 1.00 0.00 O ATOM 1261 CB ILE A 90 5.486 -1.513 -4.262 1.00 0.00 C ATOM 1262 CG1 ILE A 90 5.632 -0.882 -2.875 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.785 -0.576 -5.247 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.782 0.385 -2.758 1.00 0.00 C ATOM 0 H ILE A 90 3.050 -1.702 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 90 4.992 -3.374 -5.112 1.00 0.00 H new ATOM 0 HB ILE A 90 6.492 -1.687 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.330 -1.599 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.679 -0.641 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.318 0.374 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.777 -1.030 -6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.760 -0.404 -4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.903 0.814 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.103 1.109 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.733 0.136 -2.920 1.00 0.00 H new ATOM 1276 N THR A 91 6.544 -4.094 -3.118 1.00 0.00 N ATOM 1277 CA THR A 91 7.154 -4.941 -2.107 1.00 0.00 C ATOM 1278 C THR A 91 8.680 -4.878 -2.208 1.00 0.00 C ATOM 1279 O THR A 91 9.224 -4.599 -3.276 1.00 0.00 O ATOM 1280 CB THR A 91 6.593 -6.355 -2.272 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.638 -7.201 -1.802 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.425 -6.750 -3.741 1.00 0.00 C ATOM 0 H THR A 91 7.174 -3.797 -3.863 1.00 0.00 H new ATOM 0 HA THR A 91 6.911 -4.594 -1.103 1.00 0.00 H new ATOM 0 HB THR A 91 5.631 -6.425 -1.765 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.260 -7.901 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.024 -7.762 -3.802 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.738 -6.057 -4.228 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.393 -6.712 -4.241 1.00 0.00 H new ATOM 1290 N HIS A 92 9.327 -5.140 -1.082 1.00 0.00 N ATOM 1291 CA HIS A 92 10.779 -5.117 -1.031 1.00 0.00 C ATOM 1292 C HIS A 92 11.331 -6.474 -1.471 1.00 0.00 C ATOM 1293 O HIS A 92 12.538 -6.701 -1.430 1.00 0.00 O ATOM 1294 CB HIS A 92 11.267 -4.700 0.359 1.00 0.00 C ATOM 1295 CG HIS A 92 11.266 -3.208 0.588 1.00 0.00 C ATOM 1296 ND1 HIS A 92 12.284 -2.551 1.256 1.00 0.00 N ATOM 1297 CD2 HIS A 92 10.360 -2.253 0.232 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.994 -1.259 1.295 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.801 -1.076 0.659 1.00 0.00 N ATOM 0 H HIS A 92 8.873 -5.369 -0.198 1.00 0.00 H new ATOM 0 HA HIS A 92 11.159 -4.368 -1.726 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.636 -5.173 1.111 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.278 -5.079 0.507 1.00 0.00 H new ATOM 0 HD1 HIS A 92 13.117 -2.988 1.651 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.440 -2.425 -0.306 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.596 -0.486 1.750 1.00 0.00 H new ATOM 0 HE2 HIS A 92 10.326 -0.182 0.532 1.00 0.00 H new ATOM 1308 N THR A 93 10.417 -7.343 -1.882 1.00 0.00 N ATOM 1309 CA THR A 93 10.797 -8.672 -2.329 1.00 0.00 C ATOM 1310 C THR A 93 11.207 -8.642 -3.803 1.00 0.00 C ATOM 1311 O THR A 93 11.907 -9.537 -4.275 1.00 0.00 O ATOM 1312 CB THR A 93 9.631 -9.619 -2.041 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.948 -10.186 -0.773 1.00 0.00 O ATOM 1314 CG2 THR A 93 9.603 -10.819 -2.989 1.00 0.00 C ATOM 0 H THR A 93 9.416 -7.152 -1.914 1.00 0.00 H new ATOM 0 HA THR A 93 11.671 -9.036 -1.789 1.00 0.00 H new ATOM 0 HB THR A 93 8.692 -9.072 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.242 -10.812 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.756 -11.459 -2.741 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.504 -10.469 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.528 -11.386 -2.886 1.00 0.00 H new ATOM 1322 N GLY A 94 10.751 -7.605 -4.490 1.00 0.00 N ATOM 1323 CA GLY A 94 11.061 -7.447 -5.900 1.00 0.00 C ATOM 1324 C GLY A 94 11.734 -6.098 -6.166 1.00 0.00 C ATOM 1325 O GLY A 94 11.500 -5.478 -7.202 1.00 0.00 O ATOM 0 H GLY A 94 10.169 -6.866 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.717 -8.255 -6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.146 -7.523 -6.488 1.00 0.00 H new ATOM 1329 N ALA A 95 12.555 -5.685 -5.213 1.00 0.00 N ATOM 1330 CA ALA A 95 13.263 -4.421 -5.331 1.00 0.00 C ATOM 1331 C ALA A 95 14.744 -4.641 -5.019 1.00 0.00 C ATOM 1332 O ALA A 95 15.614 -4.134 -5.727 1.00 0.00 O ATOM 1333 CB ALA A 95 12.620 -3.387 -4.406 1.00 0.00 C ATOM 0 H ALA A 95 12.746 -6.203 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 95 13.194 -4.036 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.151 -2.439 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.577 -3.246 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.673 -3.738 -3.375 1.00 0.00 H new ATOM 1339 N SER A 96 14.988 -5.397 -3.959 1.00 0.00 N ATOM 1340 CA SER A 96 16.349 -5.690 -3.545 1.00 0.00 C ATOM 1341 C SER A 96 16.957 -4.473 -2.844 1.00 0.00 C ATOM 1342 O SER A 96 18.013 -3.985 -3.242 1.00 0.00 O ATOM 1343 CB SER A 96 17.213 -6.099 -4.740 1.00 0.00 C ATOM 1344 OG SER A 96 18.398 -6.776 -4.335 1.00 0.00 O ATOM 0 H SER A 96 14.265 -5.816 -3.374 1.00 0.00 H new ATOM 0 HA SER A 96 16.321 -6.527 -2.848 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.635 -6.744 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 96 17.481 -5.212 -5.314 1.00 0.00 H new ATOM 0 HG SER A 96 18.921 -7.022 -5.126 1.00 0.00 H new ATOM 1350 N GLY A 97 16.262 -4.018 -1.810 1.00 0.00 N ATOM 1351 CA GLY A 97 16.719 -2.867 -1.050 1.00 0.00 C ATOM 1352 C GLY A 97 15.536 -2.060 -0.512 1.00 0.00 C ATOM 1353 O GLY A 97 14.582 -2.628 0.016 1.00 0.00 O ATOM 0 H GLY A 97 15.387 -4.426 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.344 -3.199 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.339 -2.232 -1.683 1.00 0.00 H new ATOM 1357 N ASN A 98 15.638 -0.748 -0.667 1.00 0.00 N ATOM 1358 CA ASN A 98 14.589 0.144 -0.203 1.00 0.00 C ATOM 1359 C ASN A 98 13.618 0.423 -1.352 1.00 0.00 C ATOM 1360 O ASN A 98 12.556 1.006 -1.145 1.00 0.00 O ATOM 1361 CB ASN A 98 15.167 1.481 0.263 1.00 0.00 C ATOM 1362 CG ASN A 98 14.227 2.169 1.255 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.972 1.732 1.204 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 14.616 3.041 2.015 1.00 0.00 N flip ATOM 0 H ASN A 98 16.431 -0.281 -1.107 1.00 0.00 H new ATOM 0 HA ASN A 98 14.082 -0.339 0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.138 1.318 0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.332 2.130 -0.597 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.594 3.330 2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.963 3.481 2.663 1.00 0.00 H new ATOM 1371 N ASN A 99 14.018 -0.008 -2.541 1.00 0.00 N ATOM 1372 CA ASN A 99 13.197 0.188 -3.723 1.00 0.00 C ATOM 1373 C ASN A 99 11.909 -0.628 -3.585 1.00 0.00 C ATOM 1374 O ASN A 99 11.854 -1.581 -2.810 1.00 0.00 O ATOM 1375 CB ASN A 99 13.924 -0.286 -4.982 1.00 0.00 C ATOM 1376 CG ASN A 99 15.030 -1.284 -4.635 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.747 -2.067 -3.598 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 16.073 -1.339 -5.267 1.00 0.00 N flip ATOM 0 H ASN A 99 14.900 -0.492 -2.710 1.00 0.00 H new ATOM 0 HA ASN A 99 12.980 1.253 -3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.212 -0.750 -5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.353 0.570 -5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.227 -0.708 -6.053 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.791 -2.016 -5.009 1.00 0.00 H new ATOM 1385 N PHE A 100 10.906 -0.221 -4.349 1.00 0.00 N ATOM 1386 CA PHE A 100 9.622 -0.902 -4.323 1.00 0.00 C ATOM 1387 C PHE A 100 9.241 -1.407 -5.715 1.00 0.00 C ATOM 1388 O PHE A 100 9.816 -0.979 -6.715 1.00 0.00 O ATOM 1389 CB PHE A 100 8.582 0.121 -3.862 1.00 0.00 C ATOM 1390 CG PHE A 100 8.526 0.311 -2.345 1.00 0.00 C ATOM 1391 CD1 PHE A 100 8.307 -0.757 -1.533 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.695 1.550 -1.808 1.00 0.00 C ATOM 1393 CE1 PHE A 100 8.255 -0.580 -0.125 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.642 1.726 -0.400 1.00 0.00 C ATOM 1395 CZ PHE A 100 8.424 0.657 0.412 1.00 0.00 C ATOM 0 H PHE A 100 10.956 0.571 -4.990 1.00 0.00 H new ATOM 0 HA PHE A 100 9.671 -1.762 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.799 1.081 -4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.599 -0.191 -4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.173 -1.740 -1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.869 2.399 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 100 8.081 -1.429 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.775 2.709 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 100 8.385 0.791 1.483 1.00 0.00 H new ATOM 1405 N VAL A 101 8.272 -2.312 -5.737 1.00 0.00 N ATOM 1406 CA VAL A 101 7.807 -2.881 -6.990 1.00 0.00 C ATOM 1407 C VAL A 101 6.439 -3.530 -6.773 1.00 0.00 C ATOM 1408 O VAL A 101 6.282 -4.381 -5.900 1.00 0.00 O ATOM 1409 CB VAL A 101 8.850 -3.855 -7.541 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.172 -3.139 -7.825 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.057 -5.034 -6.590 1.00 0.00 C ATOM 0 H VAL A 101 7.797 -2.665 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 101 7.682 -2.101 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 101 8.474 -4.250 -8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.896 -3.854 -8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.008 -2.350 -8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.555 -2.702 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.803 -5.711 -7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.400 -4.666 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.115 -5.568 -6.462 1.00 0.00 H new ATOM 1421 N GLU A 102 5.483 -3.103 -7.585 1.00 0.00 N ATOM 1422 CA GLU A 102 4.131 -3.631 -7.494 1.00 0.00 C ATOM 1423 C GLU A 102 4.155 -5.161 -7.552 1.00 0.00 C ATOM 1424 O GLU A 102 4.671 -5.741 -8.507 1.00 0.00 O ATOM 1425 CB GLU A 102 3.241 -3.055 -8.595 1.00 0.00 C ATOM 1426 CG GLU A 102 4.053 -2.759 -9.859 1.00 0.00 C ATOM 1427 CD GLU A 102 3.133 -2.507 -11.055 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.003 -2.034 -10.812 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.582 -2.794 -12.186 1.00 0.00 O ATOM 0 H GLU A 102 5.617 -2.397 -8.309 1.00 0.00 H new ATOM 0 HA GLU A 102 3.707 -3.329 -6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.443 -3.760 -8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.765 -2.140 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.686 -1.888 -9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.715 -3.598 -10.075 1.00 0.00 H new ATOM 1436 N CYS A 103 3.592 -5.769 -6.520 1.00 0.00 N ATOM 1437 CA CYS A 103 3.541 -7.220 -6.441 1.00 0.00 C ATOM 1438 C CYS A 103 2.973 -7.752 -7.758 1.00 0.00 C ATOM 1439 O CYS A 103 2.682 -6.980 -8.669 1.00 0.00 O ATOM 1440 CB CYS A 103 2.728 -7.693 -5.236 1.00 0.00 C ATOM 1441 SG CYS A 103 3.454 -7.277 -3.608 1.00 0.00 S ATOM 0 H CYS A 103 3.166 -5.284 -5.730 1.00 0.00 H new ATOM 0 HA CYS A 103 4.546 -7.615 -6.294 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.731 -7.257 -5.295 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.608 -8.775 -5.299 1.00 0.00 H new ATOM 0 HG CYS A 103 2.834 -7.937 -2.675 1.00 0.00 H new ATOM 1446 N THR A 104 2.833 -9.068 -7.816 1.00 0.00 N ATOM 1447 CA THR A 104 2.306 -9.713 -9.005 1.00 0.00 C ATOM 1448 C THR A 104 0.908 -10.272 -8.734 1.00 0.00 C ATOM 1449 O THR A 104 -0.044 -9.514 -8.553 1.00 0.00 O ATOM 1450 CB THR A 104 3.309 -10.778 -9.451 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.383 -11.671 -8.343 1.00 0.00 O ATOM 1452 CG2 THR A 104 4.730 -10.226 -9.580 1.00 0.00 C ATOM 0 H THR A 104 3.076 -9.705 -7.058 1.00 0.00 H new ATOM 0 HA THR A 104 2.185 -8.999 -9.820 1.00 0.00 H new ATOM 0 HB THR A 104 2.994 -11.196 -10.407 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.772 -11.206 -7.573 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.402 -11.023 -9.899 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.743 -9.423 -10.317 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.059 -9.838 -8.616 1.00 0.00 H new