USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 669 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: B 196 HIS : no HD1:sc= 0.547 K(o=1.3,f=-0.098) USER MOD Set 1.2: B 197 THR OG1 : rot 71:sc= 0.705 USER MOD Set 2.1: A 16 ASN :FLIP amide:sc= 0.946 F(o=-1,f=2.2) USER MOD Set 2.2: A 28 SER OG : rot -90:sc= 1.22 USER MOD Set 3.1: A 20 THR OG1 : rot -77:sc= 0.998 USER MOD Set 3.2: A 21 ASN :FLIP amide:sc= -0.0203 F(o=-2.8,f=0.98) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.12 (180deg=-0.612) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00296 (180deg=-0.188) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.145 K(o=-0.14,f=-2.4!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.208 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.507 K(o=-0.51,f=-3.7!) USER MOD Single : A 8 GLN : amide:sc= -2.62 K(o=-2.6,f=-5.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.608 K(o=-0.61,f=-3.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.0659 (180deg=-0.437) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.987 X(o=-0.99,f=-1.3) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 130:sc= 0.608 USER MOD Single : A 58 ASN : amide:sc= -0.489 K(o=-0.49,f=-3.7!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= -0.0221 (180deg=-0.188) USER MOD Single : B 185 THR OG1 : rot 25:sc= 0.152 USER MOD Single : B 198 LYS NZ :NH3+ -167:sc= -0.0185 (180deg=-0.22) USER MOD Single : B 199 SER OG : rot -2:sc= 1.74 USER MOD Single : B 201 TYR OH : rot 180:sc= 0 USER MOD Single : B 202 THR OG1 : rot 180:sc= 0 USER MOD Single : B 204 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.566 -13.926 -6.526 1.00 0.00 N ATOM 2 CA MET A 1 -15.655 -14.880 -6.855 1.00 0.00 C ATOM 3 C MET A 1 -15.929 -15.820 -5.686 1.00 0.00 C ATOM 4 O MET A 1 -17.082 -16.074 -5.338 1.00 0.00 O ATOM 5 CB MET A 1 -15.291 -15.692 -8.098 1.00 0.00 C ATOM 6 CG MET A 1 -15.167 -14.853 -9.360 1.00 0.00 C ATOM 7 SD MET A 1 -14.718 -15.834 -10.805 1.00 0.00 S ATOM 8 CE MET A 1 -13.087 -16.405 -10.336 1.00 0.00 C ATOM 0 H1 MET A 1 -14.545 -13.165 -7.235 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.735 -13.517 -5.585 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.654 -14.426 -6.528 1.00 0.00 H new ATOM 0 HA MET A 1 -16.558 -14.304 -7.055 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.347 -16.208 -7.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.049 -16.459 -8.255 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.113 -14.347 -9.549 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.416 -14.078 -9.204 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.539 -16.712 -11.227 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.548 -15.599 -9.838 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.180 -17.253 -9.657 1.00 0.00 H new ATOM 20 N THR A 2 -14.861 -16.336 -5.084 1.00 0.00 N ATOM 21 CA THR A 2 -14.986 -17.247 -3.954 1.00 0.00 C ATOM 22 C THR A 2 -14.431 -16.617 -2.681 1.00 0.00 C ATOM 23 O THR A 2 -15.131 -16.505 -1.674 1.00 0.00 O ATOM 24 CB THR A 2 -14.251 -18.576 -4.217 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.709 -19.156 -5.445 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.481 -19.557 -3.076 1.00 0.00 C ATOM 0 H THR A 2 -13.900 -16.138 -5.361 1.00 0.00 H new ATOM 0 HA THR A 2 -16.049 -17.449 -3.826 1.00 0.00 H new ATOM 0 HB THR A 2 -13.184 -18.366 -4.288 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.236 -19.999 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.953 -20.487 -3.284 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.108 -19.128 -2.146 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.548 -19.759 -2.980 1.00 0.00 H new ATOM 34 N ASP A 3 -13.166 -16.207 -2.733 1.00 0.00 N ATOM 35 CA ASP A 3 -12.515 -15.588 -1.585 1.00 0.00 C ATOM 36 C ASP A 3 -12.887 -14.113 -1.477 1.00 0.00 C ATOM 37 O ASP A 3 -13.047 -13.583 -0.377 1.00 0.00 O ATOM 38 CB ASP A 3 -10.998 -15.740 -1.688 1.00 0.00 C ATOM 39 CG ASP A 3 -10.551 -17.181 -1.546 1.00 0.00 C ATOM 40 OD1 ASP A 3 -10.555 -17.908 -2.562 1.00 0.00 O ATOM 41 OD2 ASP A 3 -10.196 -17.585 -0.418 1.00 0.00 O ATOM 0 H ASP A 3 -12.573 -16.293 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.862 -16.096 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.661 -15.351 -2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.522 -15.137 -0.915 1.00 0.00 H new ATOM 46 N ASN A 4 -13.024 -13.455 -2.624 1.00 0.00 N ATOM 47 CA ASN A 4 -13.379 -12.040 -2.653 1.00 0.00 C ATOM 48 C ASN A 4 -14.885 -11.852 -2.501 1.00 0.00 C ATOM 49 O ASN A 4 -15.651 -12.102 -3.431 1.00 0.00 O ATOM 50 CB ASN A 4 -12.899 -11.396 -3.956 1.00 0.00 C ATOM 51 CG ASN A 4 -11.387 -11.323 -4.040 1.00 0.00 C ATOM 52 OD1 ASN A 4 -10.681 -12.176 -3.502 1.00 0.00 O ATOM 53 ND2 ASN A 4 -10.880 -10.298 -4.716 1.00 0.00 N ATOM 0 H ASN A 4 -12.895 -13.877 -3.543 1.00 0.00 H new ATOM 0 HA ASN A 4 -12.885 -11.551 -1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -13.280 -11.967 -4.803 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -13.314 -10.391 -4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.869 -10.196 -4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.502 -9.613 -5.147 1.00 0.00 H new ATOM 60 N SER A 5 -15.299 -11.414 -1.317 1.00 0.00 N ATOM 61 CA SER A 5 -16.710 -11.188 -1.032 1.00 0.00 C ATOM 62 C SER A 5 -16.874 -10.163 0.086 1.00 0.00 C ATOM 63 O SER A 5 -15.888 -9.688 0.650 1.00 0.00 O ATOM 64 CB SER A 5 -17.389 -12.504 -0.646 1.00 0.00 C ATOM 65 OG SER A 5 -18.778 -12.322 -0.436 1.00 0.00 O ATOM 0 H SER A 5 -14.675 -11.208 -0.537 1.00 0.00 H new ATOM 0 HA SER A 5 -17.185 -10.797 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.231 -13.242 -1.433 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.931 -12.901 0.260 1.00 0.00 H new ATOM 0 HG SER A 5 -19.187 -13.179 -0.192 1.00 0.00 H new ATOM 71 N ASN A 6 -18.124 -9.828 0.399 1.00 0.00 N ATOM 72 CA ASN A 6 -18.416 -8.856 1.449 1.00 0.00 C ATOM 73 C ASN A 6 -17.743 -7.520 1.151 1.00 0.00 C ATOM 74 O ASN A 6 -17.227 -6.859 2.052 1.00 0.00 O ATOM 75 CB ASN A 6 -17.953 -9.386 2.810 1.00 0.00 C ATOM 76 CG ASN A 6 -18.669 -10.662 3.208 1.00 0.00 C ATOM 77 OD1 ASN A 6 -18.217 -11.764 2.899 1.00 0.00 O ATOM 78 ND2 ASN A 6 -19.795 -10.517 3.898 1.00 0.00 N ATOM 0 H ASN A 6 -18.949 -10.215 -0.059 1.00 0.00 H new ATOM 0 HA ASN A 6 -19.494 -8.701 1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -16.879 -9.570 2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -18.124 -8.624 3.571 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -20.322 -11.339 4.193 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -20.133 -9.584 4.132 1.00 0.00 H new ATOM 85 N ASN A 7 -17.763 -7.131 -0.124 1.00 0.00 N ATOM 86 CA ASN A 7 -17.158 -5.874 -0.565 1.00 0.00 C ATOM 87 C ASN A 7 -15.643 -5.897 -0.376 1.00 0.00 C ATOM 88 O ASN A 7 -15.147 -6.120 0.729 1.00 0.00 O ATOM 89 CB ASN A 7 -17.765 -4.688 0.190 1.00 0.00 C ATOM 90 CG ASN A 7 -19.265 -4.579 -0.009 1.00 0.00 C ATOM 91 OD1 ASN A 7 -19.953 -5.581 -0.209 1.00 0.00 O ATOM 92 ND2 ASN A 7 -19.781 -3.357 0.047 1.00 0.00 N ATOM 0 H ASN A 7 -18.194 -7.672 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 7 -17.369 -5.759 -1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -17.549 -4.790 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -17.289 -3.766 -0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -20.784 -3.221 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -19.174 -2.554 0.215 1.00 0.00 H new ATOM 99 N GLN A 8 -14.915 -5.660 -1.463 1.00 0.00 N ATOM 100 CA GLN A 8 -13.456 -5.658 -1.423 1.00 0.00 C ATOM 101 C GLN A 8 -12.928 -4.335 -0.879 1.00 0.00 C ATOM 102 O GLN A 8 -13.520 -3.278 -1.104 1.00 0.00 O ATOM 103 CB GLN A 8 -12.892 -5.916 -2.824 1.00 0.00 C ATOM 104 CG GLN A 8 -11.421 -6.304 -2.837 1.00 0.00 C ATOM 105 CD GLN A 8 -10.493 -5.113 -2.694 1.00 0.00 C ATOM 106 OE1 GLN A 8 -10.823 -4.002 -3.107 1.00 0.00 O ATOM 107 NE2 GLN A 8 -9.322 -5.342 -2.109 1.00 0.00 N ATOM 0 H GLN A 8 -15.311 -5.467 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.130 -6.455 -0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.471 -6.709 -3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.026 -5.019 -3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.229 -7.007 -2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.196 -6.823 -3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.090 -6.280 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.655 -4.580 -1.987 1.00 0.00 H new ATOM 116 N LEU A 9 -11.812 -4.401 -0.160 1.00 0.00 N ATOM 117 CA LEU A 9 -11.201 -3.210 0.420 1.00 0.00 C ATOM 118 C LEU A 9 -10.381 -2.466 -0.627 1.00 0.00 C ATOM 119 O LEU A 9 -9.314 -2.922 -1.033 1.00 0.00 O ATOM 120 CB LEU A 9 -10.314 -3.599 1.608 1.00 0.00 C ATOM 121 CG LEU A 9 -9.939 -2.455 2.556 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.448 -3.007 3.884 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.875 -1.563 1.932 1.00 0.00 C ATOM 0 H LEU A 9 -11.312 -5.268 0.035 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.993 -2.549 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.826 -4.371 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.396 -4.044 1.223 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.831 -1.854 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.186 -2.182 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.236 -3.605 4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.570 -3.631 3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.624 -0.758 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.983 -2.153 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.255 -1.139 1.003 1.00 0.00 H new ATOM 135 N VAL A 10 -10.883 -1.313 -1.056 1.00 0.00 N ATOM 136 CA VAL A 10 -10.196 -0.508 -2.056 1.00 0.00 C ATOM 137 C VAL A 10 -9.454 0.652 -1.402 1.00 0.00 C ATOM 138 O VAL A 10 -10.008 1.359 -0.561 1.00 0.00 O ATOM 139 CB VAL A 10 -11.178 0.047 -3.105 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.425 0.751 -4.223 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.054 -1.066 -3.661 1.00 0.00 C ATOM 0 H VAL A 10 -11.763 -0.916 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.481 -1.161 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.825 0.777 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.136 1.136 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.847 1.577 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.751 0.045 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.741 -0.654 -4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.426 -1.823 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.624 -1.520 -2.850 1.00 0.00 H new ATOM 151 N VAL A 11 -8.197 0.839 -1.793 1.00 0.00 N ATOM 152 CA VAL A 11 -7.376 1.907 -1.237 1.00 0.00 C ATOM 153 C VAL A 11 -6.837 2.819 -2.341 1.00 0.00 C ATOM 154 O VAL A 11 -6.581 2.371 -3.458 1.00 0.00 O ATOM 155 CB VAL A 11 -6.200 1.333 -0.422 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.163 0.693 -1.335 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.570 2.409 0.445 1.00 0.00 C ATOM 0 H VAL A 11 -7.726 0.265 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.012 2.494 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.592 0.556 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.345 0.296 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.625 -0.117 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.776 1.441 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.742 1.982 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.199 3.215 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.316 2.804 1.135 1.00 0.00 H new ATOM 167 N ARG A 12 -6.675 4.101 -2.021 1.00 0.00 N ATOM 168 CA ARG A 12 -6.173 5.076 -2.987 1.00 0.00 C ATOM 169 C ARG A 12 -4.866 5.703 -2.512 1.00 0.00 C ATOM 170 O ARG A 12 -4.722 6.059 -1.342 1.00 0.00 O ATOM 171 CB ARG A 12 -7.216 6.171 -3.226 1.00 0.00 C ATOM 172 CG ARG A 12 -6.812 7.177 -4.290 1.00 0.00 C ATOM 173 CD ARG A 12 -7.893 8.225 -4.504 1.00 0.00 C ATOM 174 NE ARG A 12 -7.521 9.194 -5.531 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.249 10.265 -5.839 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.390 10.502 -5.205 1.00 0.00 N ATOM 177 NH2 ARG A 12 -7.836 11.098 -6.785 1.00 0.00 N ATOM 0 H ARG A 12 -6.884 4.489 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.981 4.550 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.158 5.706 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.397 6.699 -2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.883 7.666 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.616 6.658 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.823 7.733 -4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.083 8.746 -3.566 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.652 9.041 -6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.712 9.862 -4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.945 11.324 -5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.961 10.918 -7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.394 11.919 -7.021 1.00 0.00 H new ATOM 191 N ALA A 13 -3.916 5.831 -3.433 1.00 0.00 N ATOM 192 CA ALA A 13 -2.616 6.417 -3.127 1.00 0.00 C ATOM 193 C ALA A 13 -2.749 7.867 -2.666 1.00 0.00 C ATOM 194 O ALA A 13 -3.527 8.636 -3.229 1.00 0.00 O ATOM 195 CB ALA A 13 -1.711 6.334 -4.346 1.00 0.00 C ATOM 0 H ALA A 13 -4.024 5.535 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.174 5.849 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.742 6.774 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.577 5.290 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.165 6.879 -5.174 1.00 0.00 H new ATOM 201 N LYS A 14 -1.985 8.233 -1.638 1.00 0.00 N ATOM 202 CA LYS A 14 -2.013 9.594 -1.112 1.00 0.00 C ATOM 203 C LYS A 14 -0.863 10.420 -1.683 1.00 0.00 C ATOM 204 O LYS A 14 -1.081 11.357 -2.450 1.00 0.00 O ATOM 205 CB LYS A 14 -1.936 9.583 0.418 1.00 0.00 C ATOM 206 CG LYS A 14 -3.062 8.802 1.080 1.00 0.00 C ATOM 207 CD LYS A 14 -2.965 8.851 2.598 1.00 0.00 C ATOM 208 CE LYS A 14 -3.285 10.237 3.138 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.250 10.273 4.626 1.00 0.00 N ATOM 0 H LYS A 14 -1.341 7.607 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.955 10.051 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.981 9.155 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.955 10.610 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.022 9.209 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.030 7.765 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.653 8.124 3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.961 8.563 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.569 10.956 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.271 10.544 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.473 11.234 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.951 9.605 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.301 10.005 4.958 1.00 0.00 H new ATOM 223 N PHE A 15 0.362 10.065 -1.301 1.00 0.00 N ATOM 224 CA PHE A 15 1.549 10.773 -1.773 1.00 0.00 C ATOM 225 C PHE A 15 2.240 9.996 -2.890 1.00 0.00 C ATOM 226 O PHE A 15 1.970 8.812 -3.094 1.00 0.00 O ATOM 227 CB PHE A 15 2.531 10.998 -0.621 1.00 0.00 C ATOM 228 CG PHE A 15 1.887 11.529 0.628 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.409 12.829 0.681 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.758 10.726 1.750 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.816 13.318 1.829 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.167 11.209 2.901 1.00 0.00 C ATOM 233 CZ PHE A 15 0.696 12.506 2.941 1.00 0.00 C ATOM 0 H PHE A 15 0.558 9.291 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 15 1.228 11.738 -2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.028 10.056 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.304 11.695 -0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.501 13.467 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.124 9.710 1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.447 14.333 1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.073 10.573 3.769 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.234 12.886 3.840 1.00 0.00 H new ATOM 243 N ASN A 16 3.134 10.669 -3.611 1.00 0.00 N ATOM 244 CA ASN A 16 3.870 10.041 -4.703 1.00 0.00 C ATOM 245 C ASN A 16 4.976 9.140 -4.163 1.00 0.00 C ATOM 246 O ASN A 16 6.025 9.618 -3.731 1.00 0.00 O ATOM 247 CB ASN A 16 4.471 11.105 -5.625 1.00 0.00 C ATOM 248 CG ASN A 16 5.295 10.503 -6.745 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.649 10.222 -7.871 1.00 0.00 O flip ATOM 250 ND2 ASN A 16 6.499 10.290 -6.600 1.00 0.00 N flip ATOM 0 H ASN A 16 3.366 11.650 -3.457 1.00 0.00 H new ATOM 0 HA ASN A 16 3.170 9.431 -5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.669 11.707 -6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.097 11.778 -5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.955 10.521 -5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.040 9.882 -7.362 1.00 0.00 H new ATOM 257 N PHE A 17 4.731 7.834 -4.186 1.00 0.00 N ATOM 258 CA PHE A 17 5.701 6.861 -3.695 1.00 0.00 C ATOM 259 C PHE A 17 6.554 6.323 -4.841 1.00 0.00 C ATOM 260 O PHE A 17 6.047 6.054 -5.930 1.00 0.00 O ATOM 261 CB PHE A 17 4.975 5.710 -2.996 1.00 0.00 C ATOM 262 CG PHE A 17 5.873 4.833 -2.169 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.584 3.796 -2.755 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.998 5.040 -0.805 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.405 2.986 -1.995 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.817 4.231 -0.040 1.00 0.00 C ATOM 267 CZ PHE A 17 7.521 3.203 -0.635 1.00 0.00 C ATOM 0 H PHE A 17 3.867 7.424 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 17 6.359 7.357 -2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.196 6.122 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.478 5.097 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.495 3.620 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.449 5.842 -0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.956 2.184 -2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.906 4.403 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.161 2.570 -0.039 1.00 0.00 H new ATOM 277 N GLN A 18 7.851 6.168 -4.590 1.00 0.00 N ATOM 278 CA GLN A 18 8.769 5.658 -5.603 1.00 0.00 C ATOM 279 C GLN A 18 9.211 4.236 -5.273 1.00 0.00 C ATOM 280 O GLN A 18 9.505 3.918 -4.120 1.00 0.00 O ATOM 281 CB GLN A 18 9.990 6.572 -5.729 1.00 0.00 C ATOM 282 CG GLN A 18 10.765 6.742 -4.432 1.00 0.00 C ATOM 283 CD GLN A 18 11.956 7.669 -4.584 1.00 0.00 C ATOM 284 OE1 GLN A 18 11.843 8.880 -4.395 1.00 0.00 O ATOM 285 NE2 GLN A 18 13.109 7.102 -4.925 1.00 0.00 N ATOM 0 H GLN A 18 8.289 6.388 -3.695 1.00 0.00 H new ATOM 0 HA GLN A 18 8.241 5.641 -6.557 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.658 6.168 -6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.664 7.552 -6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.099 7.134 -3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.109 5.767 -4.088 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.158 6.094 -5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.945 7.675 -5.040 1.00 0.00 H new ATOM 294 N GLN A 19 9.257 3.385 -6.293 1.00 0.00 N ATOM 295 CA GLN A 19 9.658 1.994 -6.112 1.00 0.00 C ATOM 296 C GLN A 19 11.166 1.832 -6.271 1.00 0.00 C ATOM 297 O GLN A 19 11.883 2.799 -6.528 1.00 0.00 O ATOM 298 CB GLN A 19 8.935 1.098 -7.121 1.00 0.00 C ATOM 299 CG GLN A 19 9.321 1.375 -8.566 1.00 0.00 C ATOM 300 CD GLN A 19 8.683 0.402 -9.539 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.596 0.649 -10.060 1.00 0.00 O ATOM 302 NE2 GLN A 19 9.359 -0.714 -9.788 1.00 0.00 N ATOM 0 H GLN A 19 9.022 3.634 -7.254 1.00 0.00 H new ATOM 0 HA GLN A 19 9.382 1.695 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.152 0.055 -6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.859 1.233 -7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.026 2.391 -8.828 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.405 1.323 -8.665 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.257 -0.878 -9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.980 -1.407 -10.434 1.00 0.00 H new ATOM 311 N THR A 20 11.637 0.598 -6.115 1.00 0.00 N ATOM 312 CA THR A 20 13.057 0.293 -6.248 1.00 0.00 C ATOM 313 C THR A 20 13.276 -0.784 -7.305 1.00 0.00 C ATOM 314 O THR A 20 14.259 -0.753 -8.045 1.00 0.00 O ATOM 315 CB THR A 20 13.664 -0.175 -4.910 1.00 0.00 C ATOM 316 OG1 THR A 20 15.029 -0.564 -5.101 1.00 0.00 O ATOM 317 CG2 THR A 20 12.875 -1.340 -4.332 1.00 0.00 C ATOM 0 H THR A 20 11.053 -0.209 -5.896 1.00 0.00 H new ATOM 0 HA THR A 20 13.558 1.212 -6.553 1.00 0.00 H new ATOM 0 HB THR A 20 13.618 0.656 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.061 -1.452 -5.515 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.324 -1.651 -3.389 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.844 -1.031 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.891 -2.174 -5.034 1.00 0.00 H new ATOM 325 N ASN A 21 12.349 -1.736 -7.364 1.00 0.00 N ATOM 326 CA ASN A 21 12.421 -2.828 -8.328 1.00 0.00 C ATOM 327 C ASN A 21 11.024 -3.347 -8.654 1.00 0.00 C ATOM 328 O ASN A 21 10.029 -2.850 -8.124 1.00 0.00 O ATOM 329 CB ASN A 21 13.283 -3.970 -7.782 1.00 0.00 C ATOM 330 CG ASN A 21 14.727 -3.560 -7.576 1.00 0.00 C ATOM 331 OD1 ASN A 21 15.040 -3.076 -6.380 1.00 0.00 O flip ATOM 332 ND2 ASN A 21 15.552 -3.676 -8.482 1.00 0.00 N flip ATOM 0 H ASN A 21 11.535 -1.772 -6.751 1.00 0.00 H new ATOM 0 HA ASN A 21 12.878 -2.445 -9.241 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.868 -4.313 -6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.243 -4.813 -8.472 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.267 -4.053 -9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.520 -3.395 -8.329 1.00 0.00 H new ATOM 339 N GLU A 22 10.954 -4.349 -9.525 1.00 0.00 N ATOM 340 CA GLU A 22 9.675 -4.933 -9.913 1.00 0.00 C ATOM 341 C GLU A 22 9.044 -5.683 -8.745 1.00 0.00 C ATOM 342 O GLU A 22 7.898 -6.126 -8.825 1.00 0.00 O ATOM 343 CB GLU A 22 9.860 -5.879 -11.102 1.00 0.00 C ATOM 344 CG GLU A 22 10.316 -5.178 -12.371 1.00 0.00 C ATOM 345 CD GLU A 22 9.323 -4.137 -12.851 1.00 0.00 C ATOM 346 OE1 GLU A 22 8.390 -4.505 -13.595 1.00 0.00 O ATOM 347 OE2 GLU A 22 9.478 -2.954 -12.480 1.00 0.00 O ATOM 0 H GLU A 22 11.766 -4.772 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 22 9.008 -4.122 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.590 -6.644 -10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.918 -6.391 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.279 -4.700 -12.192 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.468 -5.919 -13.156 1.00 0.00 H new ATOM 354 N ASP A 23 9.798 -5.819 -7.659 1.00 0.00 N ATOM 355 CA ASP A 23 9.316 -6.515 -6.471 1.00 0.00 C ATOM 356 C ASP A 23 8.394 -5.616 -5.652 1.00 0.00 C ATOM 357 O ASP A 23 7.470 -6.095 -4.995 1.00 0.00 O ATOM 358 CB ASP A 23 10.495 -6.975 -5.613 1.00 0.00 C ATOM 359 CG ASP A 23 11.446 -7.876 -6.378 1.00 0.00 C ATOM 360 OD1 ASP A 23 12.389 -7.348 -7.004 1.00 0.00 O ATOM 361 OD2 ASP A 23 11.247 -9.108 -6.350 1.00 0.00 O ATOM 0 H ASP A 23 10.747 -5.456 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 23 8.749 -7.388 -6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.038 -6.103 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.120 -7.506 -4.738 1.00 0.00 H new ATOM 366 N GLU A 24 8.653 -4.313 -5.698 1.00 0.00 N ATOM 367 CA GLU A 24 7.845 -3.346 -4.962 1.00 0.00 C ATOM 368 C GLU A 24 6.795 -2.718 -5.875 1.00 0.00 C ATOM 369 O GLU A 24 6.989 -2.625 -7.087 1.00 0.00 O ATOM 370 CB GLU A 24 8.739 -2.261 -4.358 1.00 0.00 C ATOM 371 CG GLU A 24 8.023 -1.365 -3.360 1.00 0.00 C ATOM 372 CD GLU A 24 8.971 -0.440 -2.623 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.358 0.597 -3.201 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.326 -0.752 -1.468 1.00 0.00 O ATOM 0 H GLU A 24 9.416 -3.902 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 24 7.332 -3.868 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.587 -2.735 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.142 -1.645 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.274 -0.770 -3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.491 -1.984 -2.638 1.00 0.00 H new ATOM 381 N LEU A 25 5.682 -2.288 -5.285 1.00 0.00 N ATOM 382 CA LEU A 25 4.598 -1.678 -6.050 1.00 0.00 C ATOM 383 C LEU A 25 4.674 -0.156 -5.992 1.00 0.00 C ATOM 384 O LEU A 25 4.680 0.437 -4.912 1.00 0.00 O ATOM 385 CB LEU A 25 3.244 -2.161 -5.518 1.00 0.00 C ATOM 386 CG LEU A 25 2.034 -1.838 -6.401 1.00 0.00 C ATOM 387 CD1 LEU A 25 0.939 -2.872 -6.198 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.504 -0.443 -6.099 1.00 0.00 C ATOM 0 H LEU A 25 5.508 -2.351 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 25 4.702 -1.982 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.292 -3.241 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.082 -1.720 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 25 2.354 -1.867 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.087 -2.628 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.317 -3.859 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.626 -2.871 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.645 -0.234 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.201 -0.387 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.285 0.292 -6.290 1.00 0.00 H new ATOM 400 N SER A 26 4.731 0.472 -7.163 1.00 0.00 N ATOM 401 CA SER A 26 4.799 1.926 -7.252 1.00 0.00 C ATOM 402 C SER A 26 3.405 2.514 -7.415 1.00 0.00 C ATOM 403 O SER A 26 2.513 1.872 -7.972 1.00 0.00 O ATOM 404 CB SER A 26 5.686 2.351 -8.420 1.00 0.00 C ATOM 405 OG SER A 26 5.752 3.763 -8.527 1.00 0.00 O ATOM 0 H SER A 26 4.731 -0.005 -8.065 1.00 0.00 H new ATOM 0 HA SER A 26 5.234 2.305 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.689 1.947 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.296 1.931 -9.347 1.00 0.00 H new ATOM 0 HG SER A 26 6.328 4.007 -9.282 1.00 0.00 H new ATOM 411 N PHE A 27 3.221 3.738 -6.935 1.00 0.00 N ATOM 412 CA PHE A 27 1.928 4.401 -7.024 1.00 0.00 C ATOM 413 C PHE A 27 2.052 5.901 -6.776 1.00 0.00 C ATOM 414 O PHE A 27 2.821 6.339 -5.921 1.00 0.00 O ATOM 415 CB PHE A 27 0.949 3.786 -6.021 1.00 0.00 C ATOM 416 CG PHE A 27 1.507 3.667 -4.632 1.00 0.00 C ATOM 417 CD1 PHE A 27 2.255 2.559 -4.264 1.00 0.00 C ATOM 418 CD2 PHE A 27 1.285 4.660 -3.692 1.00 0.00 C ATOM 419 CE1 PHE A 27 2.768 2.445 -2.987 1.00 0.00 C ATOM 420 CE2 PHE A 27 1.795 4.552 -2.413 1.00 0.00 C ATOM 421 CZ PHE A 27 2.538 3.443 -2.060 1.00 0.00 C ATOM 0 H PHE A 27 3.949 4.290 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 27 1.548 4.256 -8.035 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.045 4.394 -5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.656 2.796 -6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.439 1.776 -4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.705 5.530 -3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.348 1.576 -2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.613 5.334 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.939 3.356 -1.061 1.00 0.00 H new ATOM 431 N SER A 28 1.287 6.678 -7.534 1.00 0.00 N ATOM 432 CA SER A 28 1.297 8.130 -7.404 1.00 0.00 C ATOM 433 C SER A 28 -0.093 8.638 -7.040 1.00 0.00 C ATOM 434 O SER A 28 -1.086 7.942 -7.249 1.00 0.00 O ATOM 435 CB SER A 28 1.767 8.778 -8.707 1.00 0.00 C ATOM 436 OG SER A 28 3.059 8.322 -9.067 1.00 0.00 O ATOM 0 H SER A 28 0.650 6.325 -8.248 1.00 0.00 H new ATOM 0 HA SER A 28 1.990 8.401 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.062 8.549 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.779 9.862 -8.594 1.00 0.00 H new ATOM 0 HG SER A 28 3.736 8.908 -8.669 1.00 0.00 H new ATOM 442 N LYS A 29 -0.153 9.846 -6.486 1.00 0.00 N ATOM 443 CA LYS A 29 -1.424 10.451 -6.093 1.00 0.00 C ATOM 444 C LYS A 29 -2.476 10.280 -7.186 1.00 0.00 C ATOM 445 O LYS A 29 -2.481 11.009 -8.178 1.00 0.00 O ATOM 446 CB LYS A 29 -1.232 11.935 -5.779 1.00 0.00 C ATOM 447 CG LYS A 29 -2.496 12.617 -5.275 1.00 0.00 C ATOM 448 CD LYS A 29 -2.238 14.066 -4.892 1.00 0.00 C ATOM 449 CE LYS A 29 -1.888 14.913 -6.105 1.00 0.00 C ATOM 450 NZ LYS A 29 -2.960 14.871 -7.139 1.00 0.00 N ATOM 0 H LYS A 29 0.664 10.427 -6.299 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.776 9.940 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.448 12.041 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.886 12.447 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.264 12.576 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.882 12.075 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.122 14.477 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.424 14.112 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.725 15.944 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.952 14.559 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.843 15.671 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.896 13.978 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.890 14.934 -6.678 1.00 0.00 H new ATOM 464 N GLY A 30 -3.363 9.305 -6.997 1.00 0.00 N ATOM 465 CA GLY A 30 -4.408 9.050 -7.972 1.00 0.00 C ATOM 466 C GLY A 30 -4.555 7.574 -8.293 1.00 0.00 C ATOM 467 O GLY A 30 -5.667 7.046 -8.319 1.00 0.00 O ATOM 0 H GLY A 30 -3.376 8.688 -6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.356 9.432 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.187 9.598 -8.888 1.00 0.00 H new ATOM 471 N ASP A 31 -3.429 6.908 -8.540 1.00 0.00 N ATOM 472 CA ASP A 31 -3.435 5.486 -8.862 1.00 0.00 C ATOM 473 C ASP A 31 -4.074 4.668 -7.744 1.00 0.00 C ATOM 474 O ASP A 31 -3.653 4.741 -6.588 1.00 0.00 O ATOM 475 CB ASP A 31 -2.009 4.994 -9.116 1.00 0.00 C ATOM 476 CG ASP A 31 -1.401 5.600 -10.366 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.914 6.747 -10.293 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.415 4.927 -11.419 1.00 0.00 O ATOM 0 H ASP A 31 -2.501 7.332 -8.523 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.029 5.351 -9.766 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.385 5.239 -8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.013 3.908 -9.208 1.00 0.00 H new ATOM 483 N VAL A 32 -5.095 3.892 -8.096 1.00 0.00 N ATOM 484 CA VAL A 32 -5.796 3.054 -7.129 1.00 0.00 C ATOM 485 C VAL A 32 -5.162 1.670 -7.057 1.00 0.00 C ATOM 486 O VAL A 32 -4.682 1.149 -8.062 1.00 0.00 O ATOM 487 CB VAL A 32 -7.288 2.909 -7.487 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.011 2.057 -6.454 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.943 4.276 -7.610 1.00 0.00 C ATOM 0 H VAL A 32 -5.456 3.826 -9.048 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.714 3.544 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.360 2.406 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.062 1.968 -6.727 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.560 1.065 -6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.929 2.526 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.996 4.153 -7.863 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.857 4.807 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.446 4.849 -8.393 1.00 0.00 H new ATOM 499 N ILE A 33 -5.166 1.075 -5.869 1.00 0.00 N ATOM 500 CA ILE A 33 -4.582 -0.248 -5.678 1.00 0.00 C ATOM 501 C ILE A 33 -5.563 -1.192 -4.990 1.00 0.00 C ATOM 502 O ILE A 33 -6.195 -0.829 -3.998 1.00 0.00 O ATOM 503 CB ILE A 33 -3.286 -0.179 -4.846 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.284 0.775 -5.498 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.677 -1.565 -4.687 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.452 2.216 -5.071 1.00 0.00 C ATOM 0 H ILE A 33 -5.566 1.486 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.348 -0.632 -6.671 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.533 0.202 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.273 0.448 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.387 0.712 -6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.763 -1.495 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.387 -2.219 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.444 -1.975 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.708 2.834 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.451 2.561 -5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.319 2.294 -3.992 1.00 0.00 H new ATOM 518 N HIS A 34 -5.683 -2.403 -5.525 1.00 0.00 N ATOM 519 CA HIS A 34 -6.579 -3.402 -4.958 1.00 0.00 C ATOM 520 C HIS A 34 -5.836 -4.268 -3.948 1.00 0.00 C ATOM 521 O HIS A 34 -4.885 -4.968 -4.297 1.00 0.00 O ATOM 522 CB HIS A 34 -7.179 -4.270 -6.065 1.00 0.00 C ATOM 523 CG HIS A 34 -8.063 -3.507 -7.002 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.822 -3.409 -8.356 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.197 -2.802 -6.772 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.767 -2.675 -8.918 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.613 -2.296 -7.978 1.00 0.00 N ATOM 0 H HIS A 34 -5.171 -2.715 -6.350 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.391 -2.888 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.371 -4.732 -6.633 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.753 -5.079 -5.612 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.683 -2.664 -5.817 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.835 -2.428 -9.967 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.442 -1.720 -8.124 1.00 0.00 H new ATOM 536 N VAL A 35 -6.279 -4.219 -2.698 1.00 0.00 N ATOM 537 CA VAL A 35 -5.646 -4.982 -1.630 1.00 0.00 C ATOM 538 C VAL A 35 -5.969 -6.469 -1.731 1.00 0.00 C ATOM 539 O VAL A 35 -7.108 -6.854 -1.990 1.00 0.00 O ATOM 540 CB VAL A 35 -6.082 -4.468 -0.243 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.270 -5.134 0.859 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.953 -2.955 -0.169 1.00 0.00 C ATOM 0 H VAL A 35 -7.076 -3.657 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.571 -4.845 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.130 -4.729 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.594 -4.756 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.421 -6.213 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.213 -4.910 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.265 -2.611 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.915 -2.669 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.586 -2.498 -0.930 1.00 0.00 H new ATOM 552 N THR A 36 -4.951 -7.299 -1.527 1.00 0.00 N ATOM 553 CA THR A 36 -5.113 -8.746 -1.579 1.00 0.00 C ATOM 554 C THR A 36 -4.825 -9.359 -0.215 1.00 0.00 C ATOM 555 O THR A 36 -5.214 -10.493 0.068 1.00 0.00 O ATOM 556 CB THR A 36 -4.182 -9.385 -2.628 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.819 -9.045 -2.348 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.548 -8.923 -4.031 1.00 0.00 C ATOM 0 H THR A 36 -4.000 -6.991 -1.323 1.00 0.00 H new ATOM 0 HA THR A 36 -6.145 -8.947 -1.865 1.00 0.00 H new ATOM 0 HB THR A 36 -4.303 -10.467 -2.576 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.235 -9.457 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.877 -9.387 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.576 -9.211 -4.253 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.454 -7.839 -4.093 1.00 0.00 H new ATOM 566 N ARG A 37 -4.144 -8.589 0.629 1.00 0.00 N ATOM 567 CA ARG A 37 -3.797 -9.029 1.976 1.00 0.00 C ATOM 568 C ARG A 37 -3.747 -7.835 2.925 1.00 0.00 C ATOM 569 O ARG A 37 -2.756 -7.104 2.962 1.00 0.00 O ATOM 570 CB ARG A 37 -2.443 -9.745 1.985 1.00 0.00 C ATOM 571 CG ARG A 37 -2.394 -10.990 1.114 1.00 0.00 C ATOM 572 CD ARG A 37 -1.024 -11.648 1.166 1.00 0.00 C ATOM 573 NE ARG A 37 -0.935 -12.804 0.278 1.00 0.00 N ATOM 574 CZ ARG A 37 0.177 -13.511 0.095 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.288 -13.185 0.744 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.178 -14.545 -0.734 1.00 0.00 N ATOM 0 H ARG A 37 -3.819 -7.649 0.401 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.565 -9.726 2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.674 -9.049 1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.197 -10.022 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.153 -11.699 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.634 -10.725 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.262 -10.920 0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.811 -11.960 2.188 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.773 -13.085 -0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.290 -12.391 1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.140 -13.728 0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.675 -14.800 -1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.031 -15.086 -0.873 1.00 0.00 H new ATOM 590 N VAL A 38 -4.818 -7.640 3.687 1.00 0.00 N ATOM 591 CA VAL A 38 -4.886 -6.531 4.631 1.00 0.00 C ATOM 592 C VAL A 38 -4.726 -7.022 6.068 1.00 0.00 C ATOM 593 O VAL A 38 -5.589 -7.719 6.601 1.00 0.00 O ATOM 594 CB VAL A 38 -6.211 -5.745 4.491 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.410 -6.679 4.564 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.309 -4.659 5.556 1.00 0.00 C ATOM 0 H VAL A 38 -5.648 -8.233 3.670 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.061 -5.859 4.393 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.216 -5.266 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.328 -6.101 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.351 -7.410 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.411 -7.196 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.248 -4.119 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.273 -5.115 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.475 -3.965 5.446 1.00 0.00 H new ATOM 606 N GLU A 39 -3.607 -6.655 6.683 1.00 0.00 N ATOM 607 CA GLU A 39 -3.321 -7.053 8.056 1.00 0.00 C ATOM 608 C GLU A 39 -3.722 -5.954 9.035 1.00 0.00 C ATOM 609 O GLU A 39 -4.227 -4.905 8.633 1.00 0.00 O ATOM 610 CB GLU A 39 -1.835 -7.380 8.214 1.00 0.00 C ATOM 611 CG GLU A 39 -1.346 -8.466 7.269 1.00 0.00 C ATOM 612 CD GLU A 39 0.114 -8.815 7.486 1.00 0.00 C ATOM 613 OE1 GLU A 39 0.402 -9.632 8.387 1.00 0.00 O ATOM 614 OE2 GLU A 39 0.970 -8.273 6.755 1.00 0.00 O ATOM 0 H GLU A 39 -2.882 -6.082 6.251 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.907 -7.944 8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.253 -6.474 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.648 -7.693 9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.954 -9.361 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.488 -8.137 6.239 1.00 0.00 H new ATOM 621 N GLU A 40 -3.494 -6.202 10.321 1.00 0.00 N ATOM 622 CA GLU A 40 -3.834 -5.235 11.358 1.00 0.00 C ATOM 623 C GLU A 40 -2.727 -4.196 11.522 1.00 0.00 C ATOM 624 O GLU A 40 -1.860 -4.331 12.385 1.00 0.00 O ATOM 625 CB GLU A 40 -4.084 -5.950 12.688 1.00 0.00 C ATOM 626 CG GLU A 40 -4.536 -5.023 13.806 1.00 0.00 C ATOM 627 CD GLU A 40 -5.836 -4.312 13.486 1.00 0.00 C ATOM 628 OE1 GLU A 40 -6.910 -4.884 13.769 1.00 0.00 O ATOM 629 OE2 GLU A 40 -5.781 -3.185 12.952 1.00 0.00 O ATOM 0 H GLU A 40 -3.075 -7.064 10.669 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.745 -4.719 11.054 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.840 -6.721 12.539 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.169 -6.456 12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.658 -5.599 14.723 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.759 -4.283 13.995 1.00 0.00 H new ATOM 636 N GLY A 41 -2.763 -3.163 10.683 1.00 0.00 N ATOM 637 CA GLY A 41 -1.762 -2.113 10.751 1.00 0.00 C ATOM 638 C GLY A 41 -0.381 -2.593 10.347 1.00 0.00 C ATOM 639 O GLY A 41 0.184 -3.484 10.981 1.00 0.00 O ATOM 0 H GLY A 41 -3.468 -3.035 9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.060 -1.290 10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.723 -1.720 11.767 1.00 0.00 H new ATOM 643 N GLY A 42 0.167 -1.999 9.289 1.00 0.00 N ATOM 644 CA GLY A 42 1.487 -2.387 8.824 1.00 0.00 C ATOM 645 C GLY A 42 1.626 -2.304 7.316 1.00 0.00 C ATOM 646 O GLY A 42 1.205 -1.324 6.700 1.00 0.00 O ATOM 0 H GLY A 42 -0.279 -1.258 8.747 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.235 -1.745 9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.696 -3.406 9.148 1.00 0.00 H new ATOM 650 N TRP A 43 2.217 -3.334 6.721 1.00 0.00 N ATOM 651 CA TRP A 43 2.416 -3.374 5.276 1.00 0.00 C ATOM 652 C TRP A 43 1.297 -4.143 4.582 1.00 0.00 C ATOM 653 O TRP A 43 0.947 -5.251 4.986 1.00 0.00 O ATOM 654 CB TRP A 43 3.762 -4.017 4.941 1.00 0.00 C ATOM 655 CG TRP A 43 4.898 -3.043 4.910 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.674 -2.649 5.962 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.390 -2.345 3.762 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.621 -1.748 5.537 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.466 -1.544 4.189 1.00 0.00 C ATOM 660 CE3 TRP A 43 5.023 -2.320 2.413 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.181 -0.729 3.315 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.734 -1.509 1.546 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.802 -0.725 2.001 1.00 0.00 C ATOM 0 H TRP A 43 2.567 -4.154 7.217 1.00 0.00 H new ATOM 0 HA TRP A 43 2.404 -2.346 4.914 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.978 -4.792 5.676 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.689 -4.509 3.971 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.560 -2.995 6.979 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.324 -1.304 6.127 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.201 -2.922 2.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.004 -0.122 3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.461 -1.480 0.501 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.338 -0.104 1.299 1.00 0.00 H new ATOM 674 N TRP A 44 0.743 -3.542 3.533 1.00 0.00 N ATOM 675 CA TRP A 44 -0.332 -4.165 2.769 1.00 0.00 C ATOM 676 C TRP A 44 0.128 -4.470 1.347 1.00 0.00 C ATOM 677 O TRP A 44 0.843 -3.679 0.734 1.00 0.00 O ATOM 678 CB TRP A 44 -1.561 -3.250 2.726 1.00 0.00 C ATOM 679 CG TRP A 44 -2.191 -3.004 4.068 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.833 -3.556 5.266 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.300 -2.140 4.343 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.647 -3.084 6.266 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.557 -2.215 5.725 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.101 -1.311 3.552 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.578 -1.488 6.332 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.116 -0.593 4.157 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.347 -0.686 5.535 1.00 0.00 C ATOM 0 H TRP A 44 1.022 -2.622 3.192 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.600 -5.099 3.263 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.273 -2.293 2.291 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.305 -3.690 2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.027 -4.261 5.406 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.584 -3.339 7.252 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.930 -1.233 2.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.756 -1.555 7.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.742 0.051 3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.149 -0.113 5.977 1.00 0.00 H new ATOM 698 N GLU A 45 -0.284 -5.622 0.829 1.00 0.00 N ATOM 699 CA GLU A 45 0.078 -6.029 -0.527 1.00 0.00 C ATOM 700 C GLU A 45 -1.107 -5.854 -1.473 1.00 0.00 C ATOM 701 O GLU A 45 -2.252 -6.100 -1.096 1.00 0.00 O ATOM 702 CB GLU A 45 0.542 -7.487 -0.537 1.00 0.00 C ATOM 703 CG GLU A 45 1.067 -7.950 -1.887 1.00 0.00 C ATOM 704 CD GLU A 45 1.387 -9.431 -1.909 1.00 0.00 C ATOM 705 OE1 GLU A 45 2.523 -9.799 -1.542 1.00 0.00 O ATOM 706 OE2 GLU A 45 0.501 -10.223 -2.293 1.00 0.00 O ATOM 0 H GLU A 45 -0.870 -6.292 1.327 1.00 0.00 H new ATOM 0 HA GLU A 45 0.895 -5.394 -0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.324 -7.616 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.290 -8.126 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.326 -7.730 -2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.964 -7.384 -2.138 1.00 0.00 H new ATOM 713 N GLY A 46 -0.825 -5.428 -2.701 1.00 0.00 N ATOM 714 CA GLY A 46 -1.882 -5.225 -3.676 1.00 0.00 C ATOM 715 C GLY A 46 -1.405 -5.395 -5.104 1.00 0.00 C ATOM 716 O GLY A 46 -0.280 -5.838 -5.341 1.00 0.00 O ATOM 0 H GLY A 46 0.115 -5.220 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.690 -5.930 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.296 -4.224 -3.553 1.00 0.00 H new ATOM 720 N THR A 47 -2.263 -5.043 -6.058 1.00 0.00 N ATOM 721 CA THR A 47 -1.927 -5.163 -7.471 1.00 0.00 C ATOM 722 C THR A 47 -2.291 -3.895 -8.241 1.00 0.00 C ATOM 723 O THR A 47 -3.248 -3.200 -7.899 1.00 0.00 O ATOM 724 CB THR A 47 -2.645 -6.366 -8.114 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.269 -7.575 -7.443 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.308 -6.478 -9.594 1.00 0.00 C ATOM 0 H THR A 47 -3.196 -4.672 -5.877 1.00 0.00 H new ATOM 0 HA THR A 47 -0.849 -5.315 -7.527 1.00 0.00 H new ATOM 0 HB THR A 47 -3.719 -6.211 -8.016 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.730 -8.335 -7.856 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.828 -7.335 -10.022 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.622 -5.570 -10.108 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.233 -6.610 -9.713 1.00 0.00 H new ATOM 734 N LEU A 48 -1.518 -3.607 -9.284 1.00 0.00 N ATOM 735 CA LEU A 48 -1.752 -2.435 -10.120 1.00 0.00 C ATOM 736 C LEU A 48 -1.298 -2.709 -11.551 1.00 0.00 C ATOM 737 O LEU A 48 -0.541 -3.648 -11.798 1.00 0.00 O ATOM 738 CB LEU A 48 -1.015 -1.214 -9.554 1.00 0.00 C ATOM 739 CG LEU A 48 -1.282 0.109 -10.281 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.773 0.407 -10.328 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.534 1.249 -9.605 1.00 0.00 C ATOM 0 H LEU A 48 -0.720 -4.173 -9.571 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.821 -2.222 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.293 -1.096 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.056 -1.413 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.919 0.014 -11.305 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.939 1.350 -10.848 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.288 -0.395 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.162 0.479 -9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.735 2.180 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.867 1.340 -8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.536 1.044 -9.625 1.00 0.00 H new ATOM 753 N ASN A 49 -1.770 -1.893 -12.488 1.00 0.00 N ATOM 754 CA ASN A 49 -1.415 -2.056 -13.893 1.00 0.00 C ATOM 755 C ASN A 49 0.099 -2.011 -14.092 1.00 0.00 C ATOM 756 O ASN A 49 0.730 -0.969 -13.922 1.00 0.00 O ATOM 757 CB ASN A 49 -2.092 -0.975 -14.740 1.00 0.00 C ATOM 758 CG ASN A 49 -1.838 0.423 -14.212 1.00 0.00 C ATOM 759 OD1 ASN A 49 -2.576 0.923 -13.364 1.00 0.00 O ATOM 760 ND2 ASN A 49 -0.791 1.066 -14.717 1.00 0.00 N ATOM 0 H ASN A 49 -2.399 -1.112 -12.300 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.768 -3.035 -14.217 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.731 -1.043 -15.766 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.166 -1.160 -14.767 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.573 2.012 -14.403 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.205 0.614 -15.419 1.00 0.00 H new ATOM 767 N GLY A 50 0.672 -3.158 -14.447 1.00 0.00 N ATOM 768 CA GLY A 50 2.105 -3.242 -14.675 1.00 0.00 C ATOM 769 C GLY A 50 2.921 -3.039 -13.411 1.00 0.00 C ATOM 770 O GLY A 50 4.151 -3.014 -13.459 1.00 0.00 O ATOM 0 H GLY A 50 0.167 -4.034 -14.581 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.343 -4.217 -15.101 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.394 -2.493 -15.412 1.00 0.00 H new ATOM 774 N ARG A 51 2.239 -2.896 -12.279 1.00 0.00 N ATOM 775 CA ARG A 51 2.912 -2.697 -11.000 1.00 0.00 C ATOM 776 C ARG A 51 2.322 -3.611 -9.930 1.00 0.00 C ATOM 777 O ARG A 51 1.153 -3.482 -9.568 1.00 0.00 O ATOM 778 CB ARG A 51 2.795 -1.236 -10.558 1.00 0.00 C ATOM 779 CG ARG A 51 3.450 -0.253 -11.514 1.00 0.00 C ATOM 780 CD ARG A 51 3.259 1.182 -11.051 1.00 0.00 C ATOM 781 NE ARG A 51 3.948 2.136 -11.914 1.00 0.00 N ATOM 782 CZ ARG A 51 3.944 3.450 -11.708 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.285 3.959 -10.676 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.597 4.256 -12.533 1.00 0.00 N ATOM 0 H ARG A 51 1.221 -2.914 -12.221 1.00 0.00 H new ATOM 0 HA ARG A 51 3.965 -2.946 -11.129 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.740 -0.980 -10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.248 -1.127 -9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.515 -0.473 -11.592 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.026 -0.375 -12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.195 1.417 -11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.628 1.285 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 51 4.460 1.776 -12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.780 3.343 -10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.283 4.967 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.105 3.869 -13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.592 5.263 -12.372 1.00 0.00 H new ATOM 798 N THR A 52 3.136 -4.532 -9.425 1.00 0.00 N ATOM 799 CA THR A 52 2.689 -5.464 -8.394 1.00 0.00 C ATOM 800 C THR A 52 3.731 -5.602 -7.290 1.00 0.00 C ATOM 801 O THR A 52 4.919 -5.775 -7.561 1.00 0.00 O ATOM 802 CB THR A 52 2.393 -6.858 -8.986 1.00 0.00 C ATOM 803 OG1 THR A 52 1.427 -6.748 -10.038 1.00 0.00 O ATOM 804 CG2 THR A 52 1.871 -7.804 -7.913 1.00 0.00 C ATOM 0 H THR A 52 4.107 -4.654 -9.712 1.00 0.00 H new ATOM 0 HA THR A 52 1.771 -5.055 -7.973 1.00 0.00 H new ATOM 0 HB THR A 52 3.323 -7.263 -9.385 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.246 -7.636 -10.410 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.670 -8.780 -8.355 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.618 -7.909 -7.126 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.951 -7.401 -7.489 1.00 0.00 H new ATOM 812 N GLY A 53 3.277 -5.521 -6.043 1.00 0.00 N ATOM 813 CA GLY A 53 4.179 -5.634 -4.914 1.00 0.00 C ATOM 814 C GLY A 53 3.577 -5.080 -3.637 1.00 0.00 C ATOM 815 O GLY A 53 2.389 -4.760 -3.591 1.00 0.00 O ATOM 0 H GLY A 53 2.298 -5.379 -5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.441 -6.682 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.104 -5.103 -5.137 1.00 0.00 H new ATOM 819 N TRP A 54 4.399 -4.964 -2.601 1.00 0.00 N ATOM 820 CA TRP A 54 3.944 -4.448 -1.314 1.00 0.00 C ATOM 821 C TRP A 54 3.898 -2.924 -1.314 1.00 0.00 C ATOM 822 O TRP A 54 4.589 -2.271 -2.097 1.00 0.00 O ATOM 823 CB TRP A 54 4.859 -4.940 -0.194 1.00 0.00 C ATOM 824 CG TRP A 54 4.718 -6.405 0.085 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.301 -7.432 -0.599 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.940 -7.004 1.125 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.933 -8.635 -0.045 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.098 -8.398 1.014 1.00 0.00 C ATOM 829 CE3 TRP A 54 3.125 -6.497 2.141 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.471 -9.290 1.882 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.503 -7.382 3.002 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.679 -8.765 2.868 1.00 0.00 C ATOM 0 H TRP A 54 5.386 -5.221 -2.626 1.00 0.00 H new ATOM 0 HA TRP A 54 2.934 -4.820 -1.143 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.894 -4.726 -0.459 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.641 -4.381 0.716 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.955 -7.317 -1.450 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.233 -9.554 -0.370 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.984 -5.432 2.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.605 -10.357 1.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.871 -7.001 3.791 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.180 -9.431 3.556 1.00 0.00 H new ATOM 843 N PHE A 55 3.079 -2.366 -0.428 1.00 0.00 N ATOM 844 CA PHE A 55 2.942 -0.919 -0.312 1.00 0.00 C ATOM 845 C PHE A 55 2.576 -0.526 1.119 1.00 0.00 C ATOM 846 O PHE A 55 1.810 -1.227 1.781 1.00 0.00 O ATOM 847 CB PHE A 55 1.889 -0.394 -1.296 1.00 0.00 C ATOM 848 CG PHE A 55 0.495 -0.895 -1.035 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.360 -0.198 -0.197 1.00 0.00 C ATOM 850 CD2 PHE A 55 0.038 -2.057 -1.635 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.645 -0.651 0.039 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.245 -2.516 -1.402 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.088 -1.812 -0.564 1.00 0.00 C ATOM 0 H PHE A 55 2.499 -2.896 0.222 1.00 0.00 H new ATOM 0 HA PHE A 55 3.902 -0.466 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.884 0.695 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.181 -0.677 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.019 0.710 0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.692 -2.611 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.302 -0.098 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.588 -3.424 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.091 -2.169 -0.381 1.00 0.00 H new ATOM 863 N PRO A 56 3.120 0.600 1.621 1.00 0.00 N ATOM 864 CA PRO A 56 2.844 1.067 2.985 1.00 0.00 C ATOM 865 C PRO A 56 1.369 1.383 3.197 1.00 0.00 C ATOM 866 O PRO A 56 0.632 1.614 2.240 1.00 0.00 O ATOM 867 CB PRO A 56 3.688 2.339 3.117 1.00 0.00 C ATOM 868 CG PRO A 56 3.965 2.769 1.718 1.00 0.00 C ATOM 869 CD PRO A 56 4.035 1.508 0.906 1.00 0.00 C ATOM 0 HA PRO A 56 3.086 0.307 3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.152 3.112 3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.613 2.144 3.660 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.179 3.428 1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.901 3.325 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.717 1.673 -0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.049 1.110 0.866 1.00 0.00 H new ATOM 877 N SER A 57 0.945 1.389 4.458 1.00 0.00 N ATOM 878 CA SER A 57 -0.445 1.676 4.796 1.00 0.00 C ATOM 879 C SER A 57 -0.601 3.114 5.282 1.00 0.00 C ATOM 880 O SER A 57 -1.717 3.607 5.443 1.00 0.00 O ATOM 881 CB SER A 57 -0.941 0.707 5.872 1.00 0.00 C ATOM 882 OG SER A 57 -2.297 0.955 6.197 1.00 0.00 O ATOM 0 H SER A 57 1.544 1.199 5.261 1.00 0.00 H new ATOM 0 HA SER A 57 -1.045 1.548 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.830 -0.319 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.326 0.806 6.766 1.00 0.00 H new ATOM 0 HG SER A 57 -2.800 0.115 6.165 1.00 0.00 H new ATOM 888 N ASN A 58 0.526 3.780 5.514 1.00 0.00 N ATOM 889 CA ASN A 58 0.517 5.161 5.987 1.00 0.00 C ATOM 890 C ASN A 58 0.441 6.147 4.823 1.00 0.00 C ATOM 891 O ASN A 58 -0.052 7.265 4.978 1.00 0.00 O ATOM 892 CB ASN A 58 1.765 5.440 6.826 1.00 0.00 C ATOM 893 CG ASN A 58 1.803 4.614 8.098 1.00 0.00 C ATOM 894 OD1 ASN A 58 1.283 3.500 8.144 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.419 5.160 9.139 1.00 0.00 N ATOM 0 H ASN A 58 1.458 3.386 5.382 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.371 5.297 6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.654 5.228 6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.798 6.499 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.475 4.653 10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.836 6.087 9.056 1.00 0.00 H new ATOM 902 N TYR A 59 0.930 5.729 3.658 1.00 0.00 N ATOM 903 CA TYR A 59 0.910 6.580 2.473 1.00 0.00 C ATOM 904 C TYR A 59 -0.335 6.326 1.633 1.00 0.00 C ATOM 905 O TYR A 59 -0.507 6.912 0.565 1.00 0.00 O ATOM 906 CB TYR A 59 2.170 6.355 1.631 1.00 0.00 C ATOM 907 CG TYR A 59 3.304 7.297 1.973 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.652 7.548 3.295 1.00 0.00 C ATOM 909 CD2 TYR A 59 4.021 7.942 0.972 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.684 8.413 3.609 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.054 8.808 1.280 1.00 0.00 C ATOM 912 CZ TYR A 59 5.381 9.039 2.599 1.00 0.00 C ATOM 913 OH TYR A 59 6.408 9.902 2.909 1.00 0.00 O ATOM 0 H TYR A 59 1.344 4.808 3.510 1.00 0.00 H new ATOM 0 HA TYR A 59 0.888 7.617 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.509 5.328 1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.918 6.471 0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.108 7.060 4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.767 7.764 -0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.942 8.597 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.602 9.301 0.491 1.00 0.00 H new ATOM 0 HH TYR A 59 6.797 10.258 2.083 1.00 0.00 H new ATOM 923 N VAL A 60 -1.200 5.444 2.122 1.00 0.00 N ATOM 924 CA VAL A 60 -2.438 5.117 1.426 1.00 0.00 C ATOM 925 C VAL A 60 -3.633 5.206 2.371 1.00 0.00 C ATOM 926 O VAL A 60 -3.486 5.054 3.584 1.00 0.00 O ATOM 927 CB VAL A 60 -2.377 3.709 0.802 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.302 3.644 -0.273 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.132 2.656 1.871 1.00 0.00 C ATOM 0 H VAL A 60 -1.066 4.942 3.000 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.561 5.847 0.626 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.340 3.502 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.275 2.642 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.527 4.367 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.332 3.876 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.093 1.670 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.186 2.860 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.942 2.682 2.600 1.00 0.00 H new ATOM 939 N ARG A 61 -4.815 5.455 1.812 1.00 0.00 N ATOM 940 CA ARG A 61 -6.032 5.570 2.613 1.00 0.00 C ATOM 941 C ARG A 61 -7.198 4.844 1.949 1.00 0.00 C ATOM 942 O ARG A 61 -7.400 4.950 0.739 1.00 0.00 O ATOM 943 CB ARG A 61 -6.389 7.043 2.824 1.00 0.00 C ATOM 944 CG ARG A 61 -6.597 7.813 1.528 1.00 0.00 C ATOM 945 CD ARG A 61 -7.013 9.251 1.792 1.00 0.00 C ATOM 946 NE ARG A 61 -7.200 10.001 0.553 1.00 0.00 N ATOM 947 CZ ARG A 61 -7.651 11.252 0.507 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.969 11.887 1.628 1.00 0.00 N ATOM 949 NH2 ARG A 61 -7.786 11.868 -0.659 1.00 0.00 N ATOM 0 H ARG A 61 -4.956 5.581 0.810 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.843 5.103 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.297 7.105 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.595 7.522 3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.676 7.801 0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.360 7.317 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.940 9.261 2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.255 9.742 2.402 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.972 9.539 -0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.868 11.416 2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.315 12.846 1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.544 11.383 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.132 12.827 -0.692 1.00 0.00 H new ATOM 963 N GLU A 62 -7.962 4.104 2.750 1.00 0.00 N ATOM 964 CA GLU A 62 -9.110 3.355 2.245 1.00 0.00 C ATOM 965 C GLU A 62 -10.061 4.267 1.475 1.00 0.00 C ATOM 966 O GLU A 62 -10.702 5.144 2.053 1.00 0.00 O ATOM 967 CB GLU A 62 -9.856 2.681 3.400 1.00 0.00 C ATOM 968 CG GLU A 62 -10.972 1.755 2.945 1.00 0.00 C ATOM 969 CD GLU A 62 -11.728 1.137 4.105 1.00 0.00 C ATOM 970 OE1 GLU A 62 -11.268 0.101 4.630 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.781 1.688 4.490 1.00 0.00 O ATOM 0 H GLU A 62 -7.806 4.007 3.753 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.739 2.589 1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.144 2.112 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.275 3.450 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.668 2.312 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.551 0.962 2.327 1.00 0.00 H new ATOM 978 N VAL A 63 -10.144 4.054 0.165 1.00 0.00 N ATOM 979 CA VAL A 63 -11.013 4.854 -0.689 1.00 0.00 C ATOM 980 C VAL A 63 -12.307 4.111 -1.006 1.00 0.00 C ATOM 981 O VAL A 63 -12.322 2.884 -1.108 1.00 0.00 O ATOM 982 CB VAL A 63 -10.308 5.229 -2.007 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.942 3.979 -2.795 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.179 6.158 -2.840 1.00 0.00 C ATOM 0 H VAL A 63 -9.618 3.332 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.249 5.766 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.387 5.758 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.445 4.266 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.271 3.358 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.847 3.417 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.661 6.409 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.120 5.661 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.380 7.070 -2.278 1.00 0.00 H new ATOM 994 N LYS A 64 -13.392 4.863 -1.159 1.00 0.00 N ATOM 995 CA LYS A 64 -14.692 4.278 -1.464 1.00 0.00 C ATOM 996 C LYS A 64 -15.560 5.258 -2.246 1.00 0.00 C ATOM 997 O LYS A 64 -15.901 6.332 -1.751 1.00 0.00 O ATOM 998 CB LYS A 64 -15.403 3.870 -0.172 1.00 0.00 C ATOM 999 CG LYS A 64 -16.754 3.211 -0.401 1.00 0.00 C ATOM 1000 CD LYS A 64 -16.607 1.860 -1.080 1.00 0.00 C ATOM 1001 CE LYS A 64 -17.960 1.222 -1.348 1.00 0.00 C ATOM 1002 NZ LYS A 64 -18.719 0.980 -0.090 1.00 0.00 N ATOM 0 H LYS A 64 -13.396 5.880 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.530 3.393 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.763 3.184 0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.540 4.753 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.265 3.086 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -17.378 3.861 -1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.068 1.980 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.010 1.199 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.542 1.868 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.818 0.278 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.535 0.367 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.100 0.516 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.053 1.887 0.294 1.00 0.00 H new ATOM 1016 N ALA A 65 -15.915 4.881 -3.471 1.00 0.00 N ATOM 1017 CA ALA A 65 -16.747 5.728 -4.318 1.00 0.00 C ATOM 1018 C ALA A 65 -18.217 5.604 -3.936 1.00 0.00 C ATOM 1019 O ALA A 65 -18.684 6.417 -3.111 1.00 0.00 O ATOM 1020 CB ALA A 65 -16.547 5.371 -5.784 1.00 0.00 C ATOM 1021 OXT ALA A 65 -18.891 4.695 -4.464 1.00 0.00 O ATOM 0 H ALA A 65 -15.640 3.996 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.443 6.764 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.175 6.012 -6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.501 5.517 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.822 4.329 -5.945 1.00 0.00 H new TER 1027 ALA A 65 ATOM 1028 N ASP B 183 -7.070 19.952 5.194 1.00 0.00 N ATOM 1029 CA ASP B 183 -6.278 18.695 5.175 1.00 0.00 C ATOM 1030 C ASP B 183 -5.224 18.699 6.278 1.00 0.00 C ATOM 1031 O ASP B 183 -4.718 19.755 6.661 1.00 0.00 O ATOM 1032 CB ASP B 183 -5.602 18.520 3.813 1.00 0.00 C ATOM 1033 CG ASP B 183 -4.819 17.224 3.717 1.00 0.00 C ATOM 1034 OD1 ASP B 183 -3.618 17.230 4.060 1.00 0.00 O ATOM 1035 OD2 ASP B 183 -5.407 16.205 3.300 1.00 0.00 O ATOM 0 HA ASP B 183 -6.958 17.862 5.350 1.00 0.00 H new ATOM 0 HB2 ASP B 183 -6.359 18.542 3.029 1.00 0.00 H new ATOM 0 HB3 ASP B 183 -4.932 19.360 3.633 1.00 0.00 H new ATOM 1042 N ALA B 184 -4.901 17.514 6.785 1.00 0.00 N ATOM 1043 CA ALA B 184 -3.908 17.380 7.844 1.00 0.00 C ATOM 1044 C ALA B 184 -3.018 16.164 7.611 1.00 0.00 C ATOM 1045 O ALA B 184 -3.490 15.027 7.619 1.00 0.00 O ATOM 1046 CB ALA B 184 -4.591 17.284 9.199 1.00 0.00 C ATOM 0 H ALA B 184 -5.313 16.632 6.479 1.00 0.00 H new ATOM 0 HA ALA B 184 -3.276 18.268 7.830 1.00 0.00 H new ATOM 0 HB1 ALA B 184 -3.837 17.184 9.980 1.00 0.00 H new ATOM 0 HB2 ALA B 184 -5.179 18.185 9.375 1.00 0.00 H new ATOM 0 HB3 ALA B 184 -5.247 16.414 9.215 1.00 0.00 H new ATOM 1052 N THR B 185 -1.728 16.412 7.406 1.00 0.00 N ATOM 1053 CA THR B 185 -0.770 15.340 7.171 1.00 0.00 C ATOM 1054 C THR B 185 -0.317 14.708 8.488 1.00 0.00 C ATOM 1055 O THR B 185 0.089 15.415 9.409 1.00 0.00 O ATOM 1056 CB THR B 185 0.466 15.857 6.413 1.00 0.00 C ATOM 1057 OG1 THR B 185 1.092 16.911 7.155 1.00 0.00 O ATOM 1058 CG2 THR B 185 0.080 16.363 5.031 1.00 0.00 C ATOM 0 H THR B 185 -1.323 17.348 7.398 1.00 0.00 H new ATOM 0 HA THR B 185 -1.275 14.587 6.565 1.00 0.00 H new ATOM 0 HB THR B 185 1.166 15.030 6.298 1.00 0.00 H new ATOM 0 HG1 THR B 185 0.868 16.820 8.105 1.00 0.00 H new ATOM 0 HG21 THR B 185 0.969 16.723 4.514 1.00 0.00 H new ATOM 0 HG22 THR B 185 -0.369 15.551 4.459 1.00 0.00 H new ATOM 0 HG23 THR B 185 -0.638 17.178 5.129 1.00 0.00 H new ATOM 1066 N PRO B 186 -0.380 13.364 8.600 1.00 0.00 N ATOM 1067 CA PRO B 186 0.031 12.661 9.817 1.00 0.00 C ATOM 1068 C PRO B 186 1.551 12.563 9.945 1.00 0.00 C ATOM 1069 O PRO B 186 2.231 12.178 8.994 1.00 0.00 O ATOM 1070 CB PRO B 186 -0.578 11.272 9.635 1.00 0.00 C ATOM 1071 CG PRO B 186 -0.612 11.071 8.160 1.00 0.00 C ATOM 1072 CD PRO B 186 -0.856 12.429 7.558 1.00 0.00 C ATOM 0 HA PRO B 186 -0.297 13.175 10.720 1.00 0.00 H new ATOM 0 HB2 PRO B 186 0.024 10.507 10.126 1.00 0.00 H new ATOM 0 HB3 PRO B 186 -1.578 11.217 10.066 1.00 0.00 H new ATOM 0 HG2 PRO B 186 0.328 10.650 7.803 1.00 0.00 H new ATOM 0 HG3 PRO B 186 -1.401 10.373 7.880 1.00 0.00 H new ATOM 0 HD2 PRO B 186 -0.309 12.557 6.624 1.00 0.00 H new ATOM 0 HD3 PRO B 186 -1.911 12.584 7.333 1.00 0.00 H new ATOM 1080 N PRO B 187 2.110 12.913 11.123 1.00 0.00 N ATOM 1081 CA PRO B 187 3.558 12.854 11.355 1.00 0.00 C ATOM 1082 C PRO B 187 4.185 11.512 10.950 1.00 0.00 C ATOM 1083 O PRO B 187 5.214 11.500 10.272 1.00 0.00 O ATOM 1084 CB PRO B 187 3.690 13.090 12.862 1.00 0.00 C ATOM 1085 CG PRO B 187 2.480 13.876 13.229 1.00 0.00 C ATOM 1086 CD PRO B 187 1.383 13.404 12.312 1.00 0.00 C ATOM 0 HA PRO B 187 4.089 13.587 10.748 1.00 0.00 H new ATOM 0 HB2 PRO B 187 3.731 12.148 13.408 1.00 0.00 H new ATOM 0 HB3 PRO B 187 4.603 13.636 13.099 1.00 0.00 H new ATOM 0 HG2 PRO B 187 2.212 13.714 14.273 1.00 0.00 H new ATOM 0 HG3 PRO B 187 2.657 14.945 13.107 1.00 0.00 H new ATOM 0 HD2 PRO B 187 0.788 12.615 12.772 1.00 0.00 H new ATOM 0 HD3 PRO B 187 0.698 14.213 12.057 1.00 0.00 H new ATOM 1094 N PRO B 188 3.591 10.360 11.346 1.00 0.00 N ATOM 1095 CA PRO B 188 4.136 9.043 10.991 1.00 0.00 C ATOM 1096 C PRO B 188 4.090 8.790 9.489 1.00 0.00 C ATOM 1097 O PRO B 188 3.020 8.590 8.916 1.00 0.00 O ATOM 1098 CB PRO B 188 3.224 8.049 11.723 1.00 0.00 C ATOM 1099 CG PRO B 188 2.484 8.856 12.733 1.00 0.00 C ATOM 1100 CD PRO B 188 2.365 10.235 12.153 1.00 0.00 C ATOM 0 HA PRO B 188 5.185 8.956 11.273 1.00 0.00 H new ATOM 0 HB2 PRO B 188 2.537 7.563 11.030 1.00 0.00 H new ATOM 0 HB3 PRO B 188 3.806 7.261 12.201 1.00 0.00 H new ATOM 0 HG2 PRO B 188 1.501 8.429 12.929 1.00 0.00 H new ATOM 0 HG3 PRO B 188 3.018 8.877 13.683 1.00 0.00 H new ATOM 0 HD2 PRO B 188 1.468 10.341 11.543 1.00 0.00 H new ATOM 0 HD3 PRO B 188 2.314 10.997 12.931 1.00 0.00 H new ATOM 1108 N VAL B 189 5.259 8.802 8.856 1.00 0.00 N ATOM 1109 CA VAL B 189 5.352 8.574 7.420 1.00 0.00 C ATOM 1110 C VAL B 189 5.742 7.130 7.115 1.00 0.00 C ATOM 1111 O VAL B 189 6.676 6.592 7.710 1.00 0.00 O ATOM 1112 CB VAL B 189 6.367 9.529 6.764 1.00 0.00 C ATOM 1113 CG1 VAL B 189 5.903 10.972 6.896 1.00 0.00 C ATOM 1114 CG2 VAL B 189 7.747 9.351 7.379 1.00 0.00 C ATOM 0 H VAL B 189 6.154 8.967 9.316 1.00 0.00 H new ATOM 0 HA VAL B 189 4.365 8.771 7.002 1.00 0.00 H new ATOM 0 HB VAL B 189 6.433 9.285 5.704 1.00 0.00 H new ATOM 0 HG11 VAL B 189 6.632 11.633 6.427 1.00 0.00 H new ATOM 0 HG12 VAL B 189 4.937 11.090 6.405 1.00 0.00 H new ATOM 0 HG13 VAL B 189 5.807 11.228 7.951 1.00 0.00 H new ATOM 0 HG21 VAL B 189 8.449 10.035 6.902 1.00 0.00 H new ATOM 0 HG22 VAL B 189 7.700 9.566 8.447 1.00 0.00 H new ATOM 0 HG23 VAL B 189 8.082 8.325 7.230 1.00 0.00 H new ATOM 1124 N ILE B 190 5.013 6.513 6.187 1.00 0.00 N ATOM 1125 CA ILE B 190 5.267 5.128 5.792 1.00 0.00 C ATOM 1126 C ILE B 190 5.010 4.165 6.950 1.00 0.00 C ATOM 1127 O ILE B 190 5.298 4.473 8.106 1.00 0.00 O ATOM 1128 CB ILE B 190 6.710 4.935 5.279 1.00 0.00 C ATOM 1129 CG1 ILE B 190 6.995 5.902 4.125 1.00 0.00 C ATOM 1130 CG2 ILE B 190 6.928 3.494 4.837 1.00 0.00 C ATOM 1131 CD1 ILE B 190 8.426 5.856 3.632 1.00 0.00 C ATOM 0 H ILE B 190 4.237 6.953 5.692 1.00 0.00 H new ATOM 0 HA ILE B 190 4.575 4.904 4.980 1.00 0.00 H new ATOM 0 HB ILE B 190 7.403 5.152 6.092 1.00 0.00 H new ATOM 0 HG12 ILE B 190 6.327 5.671 3.296 1.00 0.00 H new ATOM 0 HG13 ILE B 190 6.764 6.917 4.448 1.00 0.00 H new ATOM 0 HG21 ILE B 190 7.950 3.374 4.478 1.00 0.00 H new ATOM 0 HG22 ILE B 190 6.759 2.825 5.681 1.00 0.00 H new ATOM 0 HG23 ILE B 190 6.231 3.250 4.035 1.00 0.00 H new ATOM 0 HD11 ILE B 190 8.552 6.567 2.815 1.00 0.00 H new ATOM 0 HD12 ILE B 190 9.100 6.117 4.448 1.00 0.00 H new ATOM 0 HD13 ILE B 190 8.657 4.851 3.278 1.00 0.00 H new ATOM 1143 N ALA B 191 4.462 2.997 6.628 1.00 0.00 N ATOM 1144 CA ALA B 191 4.165 1.985 7.635 1.00 0.00 C ATOM 1145 C ALA B 191 5.423 1.587 8.404 1.00 0.00 C ATOM 1146 O ALA B 191 6.534 1.689 7.881 1.00 0.00 O ATOM 1147 CB ALA B 191 3.535 0.763 6.983 1.00 0.00 C ATOM 0 H ALA B 191 4.214 2.728 5.676 1.00 0.00 H new ATOM 0 HA ALA B 191 3.457 2.412 8.345 1.00 0.00 H new ATOM 0 HB1 ALA B 191 3.318 0.015 7.746 1.00 0.00 H new ATOM 0 HB2 ALA B 191 2.610 1.053 6.485 1.00 0.00 H new ATOM 0 HB3 ALA B 191 4.225 0.345 6.251 1.00 0.00 H new ATOM 1153 N PRO B 192 5.269 1.131 9.663 1.00 0.00 N ATOM 1154 CA PRO B 192 6.404 0.717 10.495 1.00 0.00 C ATOM 1155 C PRO B 192 7.125 -0.499 9.923 1.00 0.00 C ATOM 1156 O PRO B 192 6.517 -1.339 9.260 1.00 0.00 O ATOM 1157 CB PRO B 192 5.761 0.371 11.843 1.00 0.00 C ATOM 1158 CG PRO B 192 4.333 0.087 11.526 1.00 0.00 C ATOM 1159 CD PRO B 192 3.984 0.982 10.371 1.00 0.00 C ATOM 0 HA PRO B 192 7.162 1.497 10.561 1.00 0.00 H new ATOM 0 HB2 PRO B 192 6.243 -0.493 12.300 1.00 0.00 H new ATOM 0 HB3 PRO B 192 5.852 1.197 12.548 1.00 0.00 H new ATOM 0 HG2 PRO B 192 4.192 -0.962 11.265 1.00 0.00 H new ATOM 0 HG3 PRO B 192 3.694 0.290 12.385 1.00 0.00 H new ATOM 0 HD2 PRO B 192 3.221 0.537 9.732 1.00 0.00 H new ATOM 0 HD3 PRO B 192 3.596 1.943 10.709 1.00 0.00 H new ATOM 1167 N ARG B 193 8.426 -0.585 10.184 1.00 0.00 N ATOM 1168 CA ARG B 193 9.232 -1.698 9.696 1.00 0.00 C ATOM 1169 C ARG B 193 10.211 -2.172 10.771 1.00 0.00 C ATOM 1170 O ARG B 193 11.353 -1.715 10.823 1.00 0.00 O ATOM 1171 CB ARG B 193 9.995 -1.284 8.436 1.00 0.00 C ATOM 1172 CG ARG B 193 10.769 -2.421 7.789 1.00 0.00 C ATOM 1173 CD ARG B 193 11.425 -1.976 6.493 1.00 0.00 C ATOM 1174 NE ARG B 193 12.172 -3.057 5.855 1.00 0.00 N ATOM 1175 CZ ARG B 193 12.906 -2.899 4.758 1.00 0.00 C ATOM 1176 NH1 ARG B 193 12.993 -1.708 4.180 1.00 0.00 N ATOM 1177 NH2 ARG B 193 13.553 -3.932 4.237 1.00 0.00 N ATOM 0 H ARG B 193 8.944 0.103 10.731 1.00 0.00 H new ATOM 0 HA ARG B 193 8.564 -2.524 9.452 1.00 0.00 H new ATOM 0 HB2 ARG B 193 9.289 -0.878 7.711 1.00 0.00 H new ATOM 0 HB3 ARG B 193 10.688 -0.482 8.689 1.00 0.00 H new ATOM 0 HG2 ARG B 193 11.531 -2.784 8.479 1.00 0.00 H new ATOM 0 HG3 ARG B 193 10.096 -3.255 7.591 1.00 0.00 H new ATOM 0 HD2 ARG B 193 10.661 -1.610 5.807 1.00 0.00 H new ATOM 0 HD3 ARG B 193 12.097 -1.142 6.695 1.00 0.00 H new ATOM 0 HE ARG B 193 12.128 -3.986 6.275 1.00 0.00 H new ATOM 0 HH11 ARG B 193 12.496 -0.911 4.577 1.00 0.00 H new ATOM 0 HH12 ARG B 193 13.557 -1.590 3.338 1.00 0.00 H new ATOM 0 HH21 ARG B 193 13.488 -4.850 4.678 1.00 0.00 H new ATOM 0 HH22 ARG B 193 14.116 -3.809 3.395 1.00 0.00 H new ATOM 1191 N PRO B 194 9.773 -3.093 11.651 1.00 0.00 N ATOM 1192 CA PRO B 194 10.619 -3.622 12.727 1.00 0.00 C ATOM 1193 C PRO B 194 11.762 -4.487 12.202 1.00 0.00 C ATOM 1194 O PRO B 194 11.984 -4.572 10.994 1.00 0.00 O ATOM 1195 CB PRO B 194 9.652 -4.465 13.563 1.00 0.00 C ATOM 1196 CG PRO B 194 8.561 -4.841 12.622 1.00 0.00 C ATOM 1197 CD PRO B 194 8.421 -3.686 11.669 1.00 0.00 C ATOM 0 HA PRO B 194 11.104 -2.823 13.288 1.00 0.00 H new ATOM 0 HB2 PRO B 194 10.146 -5.348 13.968 1.00 0.00 H new ATOM 0 HB3 PRO B 194 9.265 -3.899 14.411 1.00 0.00 H new ATOM 0 HG2 PRO B 194 8.805 -5.760 12.089 1.00 0.00 H new ATOM 0 HG3 PRO B 194 7.629 -5.021 13.157 1.00 0.00 H new ATOM 0 HD2 PRO B 194 8.114 -4.018 10.677 1.00 0.00 H new ATOM 0 HD3 PRO B 194 7.673 -2.971 12.011 1.00 0.00 H new ATOM 1205 N GLU B 195 12.484 -5.126 13.120 1.00 0.00 N ATOM 1206 CA GLU B 195 13.607 -5.983 12.754 1.00 0.00 C ATOM 1207 C GLU B 195 13.139 -7.409 12.478 1.00 0.00 C ATOM 1208 O GLU B 195 13.892 -8.227 11.947 1.00 0.00 O ATOM 1209 CB GLU B 195 14.654 -5.988 13.870 1.00 0.00 C ATOM 1210 CG GLU B 195 15.252 -4.620 14.155 1.00 0.00 C ATOM 1211 CD GLU B 195 16.012 -4.056 12.970 1.00 0.00 C ATOM 1212 OE1 GLU B 195 15.383 -3.383 12.126 1.00 0.00 O ATOM 1213 OE2 GLU B 195 17.237 -4.284 12.887 1.00 0.00 O ATOM 0 H GLU B 195 12.310 -5.066 14.123 1.00 0.00 H new ATOM 0 HA GLU B 195 14.054 -5.584 11.843 1.00 0.00 H new ATOM 0 HB2 GLU B 195 14.197 -6.372 14.782 1.00 0.00 H new ATOM 0 HB3 GLU B 195 15.456 -6.676 13.601 1.00 0.00 H new ATOM 0 HG2 GLU B 195 14.455 -3.930 14.432 1.00 0.00 H new ATOM 0 HG3 GLU B 195 15.923 -4.692 15.011 1.00 0.00 H new ATOM 1220 N HIS B 196 11.895 -7.701 12.844 1.00 0.00 N ATOM 1221 CA HIS B 196 11.327 -9.029 12.635 1.00 0.00 C ATOM 1222 C HIS B 196 9.968 -8.934 11.950 1.00 0.00 C ATOM 1223 O HIS B 196 9.508 -7.842 11.620 1.00 0.00 O ATOM 1224 CB HIS B 196 11.189 -9.763 13.970 1.00 0.00 C ATOM 1225 CG HIS B 196 10.347 -9.033 14.971 1.00 0.00 C ATOM 1226 ND1 HIS B 196 9.062 -9.413 15.295 1.00 0.00 N ATOM 1227 CD2 HIS B 196 10.614 -7.939 15.725 1.00 0.00 C ATOM 1228 CE1 HIS B 196 8.573 -8.586 16.202 1.00 0.00 C ATOM 1229 NE2 HIS B 196 9.496 -7.683 16.480 1.00 0.00 N ATOM 0 H HIS B 196 11.261 -7.036 13.287 1.00 0.00 H new ATOM 0 HA HIS B 196 12.002 -9.590 11.989 1.00 0.00 H new ATOM 0 HB2 HIS B 196 10.755 -10.747 13.791 1.00 0.00 H new ATOM 0 HB3 HIS B 196 12.181 -9.924 14.391 1.00 0.00 H new ATOM 0 HD2 HIS B 196 11.534 -7.374 15.731 1.00 0.00 H new ATOM 0 HE1 HIS B 196 7.588 -8.639 16.641 1.00 0.00 H new ATOM 0 HE2 HIS B 196 9.395 -6.919 17.148 1.00 0.00 H new ATOM 1238 N THR B 197 9.333 -10.087 11.741 1.00 0.00 N ATOM 1239 CA THR B 197 8.024 -10.147 11.095 1.00 0.00 C ATOM 1240 C THR B 197 8.091 -9.637 9.657 1.00 0.00 C ATOM 1241 O THR B 197 8.147 -10.424 8.712 1.00 0.00 O ATOM 1242 CB THR B 197 6.968 -9.336 11.876 1.00 0.00 C ATOM 1243 OG1 THR B 197 6.879 -9.819 13.223 1.00 0.00 O ATOM 1244 CG2 THR B 197 5.604 -9.433 11.209 1.00 0.00 C ATOM 0 H THR B 197 9.707 -10.996 12.012 1.00 0.00 H new ATOM 0 HA THR B 197 7.726 -11.195 11.087 1.00 0.00 H new ATOM 0 HB THR B 197 7.278 -8.291 11.881 1.00 0.00 H new ATOM 0 HG1 THR B 197 7.686 -9.563 13.716 1.00 0.00 H new ATOM 0 HG21 THR B 197 4.878 -8.853 11.779 1.00 0.00 H new ATOM 0 HG22 THR B 197 5.666 -9.040 10.194 1.00 0.00 H new ATOM 0 HG23 THR B 197 5.289 -10.476 11.175 1.00 0.00 H new ATOM 1252 N LYS B 198 8.085 -8.316 9.499 1.00 0.00 N ATOM 1253 CA LYS B 198 8.150 -7.698 8.178 1.00 0.00 C ATOM 1254 C LYS B 198 9.521 -7.914 7.543 1.00 0.00 C ATOM 1255 O LYS B 198 10.299 -8.748 8.000 1.00 0.00 O ATOM 1256 CB LYS B 198 7.853 -6.200 8.285 1.00 0.00 C ATOM 1257 CG LYS B 198 6.468 -5.889 8.829 1.00 0.00 C ATOM 1258 CD LYS B 198 5.379 -6.250 7.831 1.00 0.00 C ATOM 1259 CE LYS B 198 3.995 -5.942 8.380 1.00 0.00 C ATOM 1260 NZ LYS B 198 3.691 -6.737 9.602 1.00 0.00 N ATOM 0 H LYS B 198 8.036 -7.652 10.271 1.00 0.00 H new ATOM 0 HA LYS B 198 7.400 -8.168 7.543 1.00 0.00 H new ATOM 0 HB2 LYS B 198 8.599 -5.736 8.929 1.00 0.00 H new ATOM 0 HB3 LYS B 198 7.957 -5.747 7.299 1.00 0.00 H new ATOM 0 HG2 LYS B 198 6.309 -6.439 9.756 1.00 0.00 H new ATOM 0 HG3 LYS B 198 6.402 -4.829 9.072 1.00 0.00 H new ATOM 0 HD2 LYS B 198 5.535 -5.697 6.905 1.00 0.00 H new ATOM 0 HD3 LYS B 198 5.446 -7.310 7.585 1.00 0.00 H new ATOM 0 HE2 LYS B 198 3.925 -4.879 8.612 1.00 0.00 H new ATOM 0 HE3 LYS B 198 3.247 -6.151 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 198 2.676 -6.668 9.817 1.00 0.00 H new ATOM 0 HZ2 LYS B 198 3.944 -7.733 9.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 198 4.241 -6.366 10.403 1.00 0.00 H new ATOM 1274 N SER B 199 9.799 -7.151 6.484 1.00 0.00 N ATOM 1275 CA SER B 199 11.072 -7.235 5.764 1.00 0.00 C ATOM 1276 C SER B 199 11.329 -8.649 5.244 1.00 0.00 C ATOM 1277 O SER B 199 11.549 -9.582 6.017 1.00 0.00 O ATOM 1278 CB SER B 199 12.234 -6.780 6.654 1.00 0.00 C ATOM 1279 OG SER B 199 12.526 -7.735 7.659 1.00 0.00 O ATOM 0 H SER B 199 9.152 -6.461 6.103 1.00 0.00 H new ATOM 0 HA SER B 199 11.005 -6.566 4.906 1.00 0.00 H new ATOM 0 HB2 SER B 199 13.120 -6.614 6.041 1.00 0.00 H new ATOM 0 HB3 SER B 199 11.985 -5.826 7.119 1.00 0.00 H new ATOM 0 HG SER B 199 11.899 -8.485 7.590 1.00 0.00 H new ATOM 1285 N VAL B 200 11.306 -8.794 3.922 1.00 0.00 N ATOM 1286 CA VAL B 200 11.535 -10.085 3.287 1.00 0.00 C ATOM 1287 C VAL B 200 12.389 -9.929 2.033 1.00 0.00 C ATOM 1288 O VAL B 200 12.038 -9.184 1.117 1.00 0.00 O ATOM 1289 CB VAL B 200 10.208 -10.779 2.919 1.00 0.00 C ATOM 1290 CG1 VAL B 200 9.512 -11.295 4.169 1.00 0.00 C ATOM 1291 CG2 VAL B 200 9.298 -9.830 2.152 1.00 0.00 C ATOM 0 H VAL B 200 11.130 -8.030 3.269 1.00 0.00 H new ATOM 0 HA VAL B 200 12.064 -10.707 4.009 1.00 0.00 H new ATOM 0 HB VAL B 200 10.434 -11.629 2.275 1.00 0.00 H new ATOM 0 HG11 VAL B 200 8.577 -11.782 3.890 1.00 0.00 H new ATOM 0 HG12 VAL B 200 10.158 -12.012 4.675 1.00 0.00 H new ATOM 0 HG13 VAL B 200 9.301 -10.461 4.839 1.00 0.00 H new ATOM 0 HG21 VAL B 200 8.368 -10.340 1.902 1.00 0.00 H new ATOM 0 HG22 VAL B 200 9.080 -8.958 2.768 1.00 0.00 H new ATOM 0 HG23 VAL B 200 9.794 -9.511 1.235 1.00 0.00 H new ATOM 1301 N TYR B 201 13.518 -10.630 2.009 1.00 0.00 N ATOM 1302 CA TYR B 201 14.437 -10.579 0.875 1.00 0.00 C ATOM 1303 C TYR B 201 14.983 -9.167 0.680 1.00 0.00 C ATOM 1304 O TYR B 201 15.429 -8.809 -0.410 1.00 0.00 O ATOM 1305 CB TYR B 201 13.741 -11.050 -0.404 1.00 0.00 C ATOM 1306 CG TYR B 201 13.232 -12.472 -0.335 1.00 0.00 C ATOM 1307 CD1 TYR B 201 14.059 -13.543 -0.653 1.00 0.00 C ATOM 1308 CD2 TYR B 201 11.924 -12.744 0.045 1.00 0.00 C ATOM 1309 CE1 TYR B 201 13.597 -14.842 -0.595 1.00 0.00 C ATOM 1310 CE2 TYR B 201 11.454 -14.042 0.105 1.00 0.00 C ATOM 1311 CZ TYR B 201 12.294 -15.087 -0.216 1.00 0.00 C ATOM 1312 OH TYR B 201 11.830 -16.381 -0.159 1.00 0.00 O ATOM 0 H TYR B 201 13.820 -11.243 2.766 1.00 0.00 H new ATOM 0 HA TYR B 201 15.271 -11.248 1.090 1.00 0.00 H new ATOM 0 HB2 TYR B 201 12.904 -10.385 -0.617 1.00 0.00 H new ATOM 0 HB3 TYR B 201 14.437 -10.964 -1.238 1.00 0.00 H new ATOM 0 HD1 TYR B 201 15.080 -13.355 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR B 201 11.264 -11.928 0.298 1.00 0.00 H new ATOM 0 HE1 TYR B 201 14.253 -15.663 -0.845 1.00 0.00 H new ATOM 0 HE2 TYR B 201 10.434 -14.237 0.402 1.00 0.00 H new ATOM 0 HH TYR B 201 10.892 -16.380 0.126 1.00 0.00 H new ATOM 1322 N THR B 202 14.943 -8.374 1.751 1.00 0.00 N ATOM 1323 CA THR B 202 15.431 -6.996 1.721 1.00 0.00 C ATOM 1324 C THR B 202 14.559 -6.116 0.828 1.00 0.00 C ATOM 1325 O THR B 202 14.232 -6.485 -0.299 1.00 0.00 O ATOM 1326 CB THR B 202 16.894 -6.917 1.236 1.00 0.00 C ATOM 1327 OG1 THR B 202 17.719 -7.783 2.025 1.00 0.00 O ATOM 1328 CG2 THR B 202 17.418 -5.492 1.328 1.00 0.00 C ATOM 0 H THR B 202 14.575 -8.666 2.656 1.00 0.00 H new ATOM 0 HA THR B 202 15.381 -6.628 2.746 1.00 0.00 H new ATOM 0 HB THR B 202 16.925 -7.234 0.194 1.00 0.00 H new ATOM 0 HG1 THR B 202 18.645 -7.729 1.710 1.00 0.00 H new ATOM 0 HG21 THR B 202 18.451 -5.461 0.981 1.00 0.00 H new ATOM 0 HG22 THR B 202 16.806 -4.839 0.706 1.00 0.00 H new ATOM 0 HG23 THR B 202 17.373 -5.154 2.363 1.00 0.00 H new ATOM 1336 N ARG B 203 14.187 -4.948 1.346 1.00 0.00 N ATOM 1337 CA ARG B 203 13.353 -4.009 0.604 1.00 0.00 C ATOM 1338 C ARG B 203 13.974 -2.616 0.606 1.00 0.00 C ATOM 1339 O ARG B 203 14.838 -2.312 1.428 1.00 0.00 O ATOM 1340 CB ARG B 203 11.949 -3.955 1.209 1.00 0.00 C ATOM 1341 CG ARG B 203 11.223 -5.291 1.192 1.00 0.00 C ATOM 1342 CD ARG B 203 10.909 -5.743 -0.226 1.00 0.00 C ATOM 1343 NE ARG B 203 10.197 -7.018 -0.249 1.00 0.00 N ATOM 1344 CZ ARG B 203 9.357 -7.376 -1.216 1.00 0.00 C ATOM 1345 NH1 ARG B 203 9.119 -6.557 -2.232 1.00 0.00 N ATOM 1346 NH2 ARG B 203 8.752 -8.555 -1.168 1.00 0.00 N ATOM 0 H ARG B 203 14.451 -4.630 2.278 1.00 0.00 H new ATOM 0 HA ARG B 203 13.283 -4.356 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG B 203 12.020 -3.603 2.238 1.00 0.00 H new ATOM 0 HB3 ARG B 203 11.356 -3.222 0.662 1.00 0.00 H new ATOM 0 HG2 ARG B 203 11.836 -6.044 1.687 1.00 0.00 H new ATOM 0 HG3 ARG B 203 10.297 -5.209 1.761 1.00 0.00 H new ATOM 0 HD2 ARG B 203 10.307 -4.983 -0.724 1.00 0.00 H new ATOM 0 HD3 ARG B 203 11.837 -5.836 -0.791 1.00 0.00 H new ATOM 0 HE ARG B 203 10.353 -7.670 0.520 1.00 0.00 H new ATOM 0 HH11 ARG B 203 9.581 -5.649 -2.274 1.00 0.00 H new ATOM 0 HH12 ARG B 203 8.474 -6.836 -2.971 1.00 0.00 H new ATOM 0 HH21 ARG B 203 8.931 -9.189 -0.389 1.00 0.00 H new ATOM 0 HH22 ARG B 203 8.108 -8.828 -1.910 1.00 0.00 H new ATOM 1360 N SER B 204 13.528 -1.773 -0.321 1.00 0.00 N ATOM 1361 CA SER B 204 14.039 -0.412 -0.425 1.00 0.00 C ATOM 1362 C SER B 204 12.925 0.561 -0.798 1.00 0.00 C ATOM 1363 O SER B 204 12.703 0.770 -2.009 1.00 0.00 O ATOM 1364 CB SER B 204 15.162 -0.345 -1.462 1.00 0.00 C ATOM 1365 OG SER B 204 16.256 -1.161 -1.084 1.00 0.00 O ATOM 1366 OXT SER B 204 12.282 1.106 0.125 1.00 0.00 O ATOM 0 H SER B 204 12.814 -2.009 -1.010 1.00 0.00 H new ATOM 0 HA SER B 204 14.436 -0.124 0.548 1.00 0.00 H new ATOM 0 HB2 SER B 204 14.784 -0.665 -2.433 1.00 0.00 H new ATOM 0 HB3 SER B 204 15.496 0.686 -1.575 1.00 0.00 H new ATOM 0 HG SER B 204 16.959 -1.101 -1.764 1.00 0.00 H new TER 1372 SER B 204