USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1072 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 78 MET CE :methyl 150:sc= -0.111 (180deg=-2.21!) USER MOD Set 1.2: A 88 GLN : amide:sc= -1.16 K(o=-1.3,f=-8!) USER MOD Set 2.1: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 43 MET CE :methyl -133:sc= -0.235 (180deg=-1.29) USER MOD Set 3.1: A 16 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Set 3.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -155:sc= -1.66! (180deg=-3.29!) USER MOD Set 4.2: A 11 ASN : amide:sc= 0 K(o=-1.7,f=-3.9) USER MOD Single : A 1 SER N :NH3+ 142:sc= -0.312 (180deg=-1.71!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0529 USER MOD Single : A 5 MET CE :methyl -156:sc= -0.277 (180deg=-1.57) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 9 SER OG : rot -163:sc= 0.0267 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc=-0.00135 (180deg=-0.101) USER MOD Single : A 18 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.7!) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.086) USER MOD Single : A 24 SER OG : rot -53:sc= 0.248 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00641 K(o=-0.0064,f=-0.62) USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= -2.23! (180deg=-3.92!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 53 ASN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD Single : A 57 THR OG1 : rot 157:sc= 1.22 USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.25) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.05 F(o=-4!,f=-1) USER MOD Single : A 69 HIS : no HE2:sc= 0.316 K(o=0.32,f=-6.3!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0365 X(o=-0.037,f=0.047!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.359 F(o=-1.1,f=-0.36) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 161:sc= -0.0618 (180deg=-0.483) USER MOD Single : A 89 GLN : amide:sc= -0.317 K(o=-0.32,f=-4.1!) USER MOD Single : A 95 HIS : no HD1:sc=-0.00634 X(o=-0.0063,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 165:sc= -0.0247 (180deg=-0.254) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -143:sc= 1.03 (180deg=-0.793!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 159:sc=-0.00898 (180deg=-0.805) USER MOD Single : A 119 LYS NZ :NH3+ 167:sc= 1.14 (180deg=0.825) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -1.68! C(o=-2.3!,f=-1.7!) USER MOD Single : A 124 LYS NZ :NH3+ -145:sc= -0.19 (180deg=-0.876) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 ASN : amide:sc= -0.0456 K(o=-0.046,f=-2) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.573 -16.893 -0.659 1.00 0.00 N ATOM 2 CA SER A 1 -6.238 -15.765 -1.558 1.00 0.00 C ATOM 3 C SER A 1 -6.910 -14.452 -1.104 1.00 0.00 C ATOM 4 O SER A 1 -6.210 -13.489 -0.786 1.00 0.00 O ATOM 5 CB SER A 1 -6.639 -16.106 -3.001 1.00 0.00 C ATOM 6 OG SER A 1 -6.194 -17.407 -3.358 1.00 0.00 O ATOM 0 H1 SER A 1 -6.701 -17.759 -1.221 1.00 0.00 H new ATOM 0 H2 SER A 1 -5.801 -17.034 0.023 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.453 -16.680 -0.147 1.00 0.00 H new ATOM 0 HA SER A 1 -5.160 -15.610 -1.513 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.722 -16.047 -3.105 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.213 -15.371 -3.684 1.00 0.00 H new ATOM 0 HG SER A 1 -6.462 -17.603 -4.280 1.00 0.00 H new ATOM 14 N PRO A 2 -8.267 -14.386 -1.039 1.00 0.00 N ATOM 15 CA PRO A 2 -8.991 -13.138 -0.722 1.00 0.00 C ATOM 16 C PRO A 2 -8.645 -12.536 0.642 1.00 0.00 C ATOM 17 O PRO A 2 -8.923 -11.360 0.875 1.00 0.00 O ATOM 18 CB PRO A 2 -10.467 -13.550 -0.750 1.00 0.00 C ATOM 19 CG PRO A 2 -10.498 -14.785 -1.575 1.00 0.00 C ATOM 20 CD PRO A 2 -9.213 -15.496 -1.281 1.00 0.00 C ATOM 0 HA PRO A 2 -8.724 -12.358 -1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.845 -13.736 0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.088 -12.767 -1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.357 -15.406 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.581 -14.546 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.302 -16.147 -0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.897 -16.121 -2.116 1.00 0.00 H new ATOM 28 N GLU A 3 -8.049 -13.341 1.525 1.00 0.00 N ATOM 29 CA GLU A 3 -7.670 -12.896 2.875 1.00 0.00 C ATOM 30 C GLU A 3 -6.981 -11.538 2.838 1.00 0.00 C ATOM 31 O GLU A 3 -7.533 -10.542 3.303 1.00 0.00 O ATOM 32 CB GLU A 3 -6.728 -13.896 3.563 1.00 0.00 C ATOM 33 CG GLU A 3 -7.234 -15.329 3.607 1.00 0.00 C ATOM 34 CD GLU A 3 -7.110 -16.022 2.271 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.993 -16.450 1.916 1.00 0.00 O ATOM 36 OE2 GLU A 3 -8.117 -16.104 1.548 1.00 0.00 O ATOM 0 H GLU A 3 -7.815 -14.314 1.329 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.598 -12.825 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.768 -13.881 3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.547 -13.559 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.673 -15.887 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.278 -15.334 3.921 1.00 0.00 H new ATOM 43 N ILE A 4 -5.767 -11.505 2.300 1.00 0.00 N ATOM 44 CA ILE A 4 -5.037 -10.257 2.166 1.00 0.00 C ATOM 45 C ILE A 4 -5.380 -9.536 0.853 1.00 0.00 C ATOM 46 O ILE A 4 -4.997 -8.385 0.648 1.00 0.00 O ATOM 47 CB ILE A 4 -3.507 -10.483 2.272 1.00 0.00 C ATOM 48 CG1 ILE A 4 -2.785 -9.165 2.573 1.00 0.00 C ATOM 49 CG2 ILE A 4 -2.949 -11.109 0.998 1.00 0.00 C ATOM 50 CD1 ILE A 4 -3.299 -8.458 3.812 1.00 0.00 C ATOM 0 H ILE A 4 -5.272 -12.326 1.952 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.348 -9.618 2.993 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.332 -11.176 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.720 -9.364 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.890 -8.500 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.874 -11.254 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.430 -12.072 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.144 -10.449 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.741 -7.534 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.357 -8.227 3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.169 -9.104 4.680 1.00 0.00 H new ATOM 62 N MET A 5 -6.107 -10.220 -0.028 1.00 0.00 N ATOM 63 CA MET A 5 -6.442 -9.677 -1.339 1.00 0.00 C ATOM 64 C MET A 5 -7.355 -8.459 -1.208 1.00 0.00 C ATOM 65 O MET A 5 -7.239 -7.502 -1.974 1.00 0.00 O ATOM 66 CB MET A 5 -7.100 -10.766 -2.195 1.00 0.00 C ATOM 67 CG MET A 5 -7.343 -10.371 -3.647 1.00 0.00 C ATOM 68 SD MET A 5 -8.884 -9.464 -3.891 1.00 0.00 S ATOM 69 CE MET A 5 -10.092 -10.713 -3.450 1.00 0.00 C ATOM 0 H MET A 5 -6.476 -11.155 0.145 1.00 0.00 H new ATOM 0 HA MET A 5 -5.526 -9.349 -1.830 1.00 0.00 H new ATOM 0 HB2 MET A 5 -6.471 -11.656 -2.175 1.00 0.00 H new ATOM 0 HB3 MET A 5 -8.053 -11.039 -1.742 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.510 -9.759 -3.994 1.00 0.00 H new ATOM 0 HG3 MET A 5 -7.357 -11.270 -4.263 1.00 0.00 H new ATOM 0 HE1 MET A 5 -11.043 -10.486 -3.933 1.00 0.00 H new ATOM 0 HE2 MET A 5 -9.742 -11.691 -3.780 1.00 0.00 H new ATOM 0 HE3 MET A 5 -10.227 -10.722 -2.368 1.00 0.00 H new ATOM 79 N LYS A 6 -8.255 -8.491 -0.234 1.00 0.00 N ATOM 80 CA LYS A 6 -9.136 -7.357 0.006 1.00 0.00 C ATOM 81 C LYS A 6 -8.459 -6.350 0.931 1.00 0.00 C ATOM 82 O LYS A 6 -8.457 -6.511 2.151 1.00 0.00 O ATOM 83 CB LYS A 6 -10.480 -7.808 0.590 1.00 0.00 C ATOM 84 CG LYS A 6 -11.292 -8.676 -0.359 1.00 0.00 C ATOM 85 CD LYS A 6 -12.727 -8.870 0.119 1.00 0.00 C ATOM 86 CE LYS A 6 -13.621 -7.674 -0.213 1.00 0.00 C ATOM 87 NZ LYS A 6 -13.298 -6.469 0.598 1.00 0.00 N ATOM 0 H LYS A 6 -8.393 -9.281 0.396 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.337 -6.876 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.300 -8.361 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.065 -6.928 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.300 -8.220 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.810 -9.649 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.141 -9.768 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.729 -9.033 1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.518 -7.432 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.663 -7.948 -0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.138 -5.859 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.007 -6.761 1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.523 -5.944 0.146 1.00 0.00 H new ATOM 101 N ASN A 7 -7.869 -5.322 0.331 1.00 0.00 N ATOM 102 CA ASN A 7 -7.130 -4.310 1.076 1.00 0.00 C ATOM 103 C ASN A 7 -8.061 -3.485 1.953 1.00 0.00 C ATOM 104 O ASN A 7 -9.169 -3.132 1.539 1.00 0.00 O ATOM 105 CB ASN A 7 -6.378 -3.375 0.122 1.00 0.00 C ATOM 106 CG ASN A 7 -5.457 -4.115 -0.829 1.00 0.00 C ATOM 107 OD1 ASN A 7 -5.854 -4.476 -1.935 1.00 0.00 O ATOM 108 ND2 ASN A 7 -4.223 -4.344 -0.407 1.00 0.00 N ATOM 0 H ASN A 7 -7.889 -5.167 -0.677 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.414 -4.832 1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.100 -2.797 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.793 -2.663 0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.562 -4.837 -1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.933 -4.027 0.518 1.00 0.00 H new ATOM 115 N LEU A 8 -7.596 -3.166 3.157 1.00 0.00 N ATOM 116 CA LEU A 8 -8.366 -2.360 4.101 1.00 0.00 C ATOM 117 C LEU A 8 -8.708 -0.999 3.507 1.00 0.00 C ATOM 118 O LEU A 8 -9.807 -0.492 3.703 1.00 0.00 O ATOM 119 CB LEU A 8 -7.599 -2.165 5.416 1.00 0.00 C ATOM 120 CG LEU A 8 -7.496 -3.394 6.329 1.00 0.00 C ATOM 121 CD1 LEU A 8 -6.573 -4.451 5.736 1.00 0.00 C ATOM 122 CD2 LEU A 8 -7.015 -2.980 7.710 1.00 0.00 C ATOM 0 H LEU A 8 -6.682 -3.456 3.505 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.290 -2.900 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.590 -1.830 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.078 -1.361 5.976 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.489 -3.835 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.522 -5.308 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.960 -4.771 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.575 -4.032 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.945 -3.860 8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.034 -2.512 7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.720 -2.271 8.143 1.00 0.00 H new ATOM 134 N SER A 9 -7.761 -0.421 2.776 1.00 0.00 N ATOM 135 CA SER A 9 -7.958 0.876 2.139 1.00 0.00 C ATOM 136 C SER A 9 -9.154 0.837 1.185 1.00 0.00 C ATOM 137 O SER A 9 -9.905 1.808 1.069 1.00 0.00 O ATOM 138 CB SER A 9 -6.689 1.263 1.380 1.00 0.00 C ATOM 139 OG SER A 9 -5.537 1.017 2.173 1.00 0.00 O ATOM 0 H SER A 9 -6.843 -0.834 2.609 1.00 0.00 H new ATOM 0 HA SER A 9 -8.165 1.621 2.908 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.626 0.695 0.452 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.730 2.317 1.106 1.00 0.00 H new ATOM 0 HG SER A 9 -4.772 1.502 1.798 1.00 0.00 H new ATOM 145 N ASN A 10 -9.328 -0.303 0.526 1.00 0.00 N ATOM 146 CA ASN A 10 -10.422 -0.501 -0.418 1.00 0.00 C ATOM 147 C ASN A 10 -11.739 -0.709 0.325 1.00 0.00 C ATOM 148 O ASN A 10 -12.800 -0.296 -0.141 1.00 0.00 O ATOM 149 CB ASN A 10 -10.113 -1.699 -1.323 1.00 0.00 C ATOM 150 CG ASN A 10 -11.240 -2.040 -2.281 1.00 0.00 C ATOM 151 OD1 ASN A 10 -12.120 -2.838 -1.961 1.00 0.00 O ATOM 152 ND2 ASN A 10 -11.216 -1.450 -3.465 1.00 0.00 N ATOM 0 H ASN A 10 -8.717 -1.113 0.630 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.523 0.390 -1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.210 -1.488 -1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.899 -2.568 -0.701 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.944 -1.651 -4.150 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.469 -0.794 -3.693 1.00 0.00 H new ATOM 159 N ASN A 11 -11.660 -1.349 1.487 1.00 0.00 N ATOM 160 CA ASN A 11 -12.831 -1.539 2.339 1.00 0.00 C ATOM 161 C ASN A 11 -13.283 -0.209 2.919 1.00 0.00 C ATOM 162 O ASN A 11 -14.435 0.190 2.755 1.00 0.00 O ATOM 163 CB ASN A 11 -12.513 -2.508 3.481 1.00 0.00 C ATOM 164 CG ASN A 11 -12.746 -3.957 3.110 1.00 0.00 C ATOM 165 OD1 ASN A 11 -11.887 -4.606 2.515 1.00 0.00 O ATOM 166 ND2 ASN A 11 -13.900 -4.480 3.489 1.00 0.00 N ATOM 0 H ASN A 11 -10.798 -1.745 1.861 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.631 -1.957 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.473 -2.378 3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.128 -2.257 4.345 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -14.106 -5.459 3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.584 -3.904 3.980 1.00 0.00 H new ATOM 173 N PHE A 12 -12.367 0.456 3.609 1.00 0.00 N ATOM 174 CA PHE A 12 -12.625 1.787 4.164 1.00 0.00 C ATOM 175 C PHE A 12 -13.161 2.784 3.124 1.00 0.00 C ATOM 176 O PHE A 12 -14.362 3.054 3.100 1.00 0.00 O ATOM 177 CB PHE A 12 -11.372 2.351 4.838 1.00 0.00 C ATOM 178 CG PHE A 12 -11.110 1.771 6.202 1.00 0.00 C ATOM 179 CD1 PHE A 12 -11.876 2.160 7.288 1.00 0.00 C ATOM 180 CD2 PHE A 12 -10.106 0.839 6.396 1.00 0.00 C ATOM 181 CE1 PHE A 12 -11.644 1.631 8.542 1.00 0.00 C ATOM 182 CE2 PHE A 12 -9.868 0.306 7.648 1.00 0.00 C ATOM 183 CZ PHE A 12 -10.638 0.703 8.722 1.00 0.00 C ATOM 0 H PHE A 12 -11.432 0.097 3.801 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.409 1.655 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.509 2.161 4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.472 3.433 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.664 2.886 7.152 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.501 0.524 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.249 1.943 9.381 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.081 -0.420 7.786 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.454 0.288 9.702 1.00 0.00 H new ATOM 193 N GLY A 13 -12.290 3.325 2.259 1.00 0.00 N ATOM 194 CA GLY A 13 -12.702 4.416 1.391 1.00 0.00 C ATOM 195 C GLY A 13 -13.294 5.589 2.166 1.00 0.00 C ATOM 196 O GLY A 13 -14.235 6.233 1.704 1.00 0.00 O ATOM 0 H GLY A 13 -11.321 3.028 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.843 4.762 0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.438 4.049 0.676 1.00 0.00 H new ATOM 200 N LYS A 14 -12.736 5.870 3.343 1.00 0.00 N ATOM 201 CA LYS A 14 -13.258 6.910 4.215 1.00 0.00 C ATOM 202 C LYS A 14 -12.695 8.270 3.826 1.00 0.00 C ATOM 203 O LYS A 14 -13.406 9.272 3.820 1.00 0.00 O ATOM 204 CB LYS A 14 -12.891 6.592 5.667 1.00 0.00 C ATOM 205 CG LYS A 14 -13.433 7.588 6.678 1.00 0.00 C ATOM 206 CD LYS A 14 -12.870 7.321 8.063 1.00 0.00 C ATOM 207 CE LYS A 14 -13.461 8.261 9.103 1.00 0.00 C ATOM 208 NZ LYS A 14 -14.904 7.997 9.336 1.00 0.00 N ATOM 0 H LYS A 14 -11.918 5.386 3.712 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.342 6.943 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.265 5.599 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.805 6.555 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.178 8.601 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.521 7.527 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.076 6.289 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.786 7.436 8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.917 8.152 10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.329 9.292 8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.226 8.537 10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.449 8.287 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.048 6.981 9.508 1.00 0.00 H new ATOM 222 N ALA A 15 -11.414 8.294 3.493 1.00 0.00 N ATOM 223 CA ALA A 15 -10.736 9.535 3.167 1.00 0.00 C ATOM 224 C ALA A 15 -9.690 9.308 2.087 1.00 0.00 C ATOM 225 O ALA A 15 -8.502 9.571 2.290 1.00 0.00 O ATOM 226 CB ALA A 15 -10.097 10.120 4.418 1.00 0.00 C ATOM 0 H ALA A 15 -10.823 7.464 3.442 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.469 10.244 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.590 11.051 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.868 10.317 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.374 9.411 4.823 1.00 0.00 H new ATOM 232 N MET A 16 -10.132 8.828 0.934 1.00 0.00 N ATOM 233 CA MET A 16 -9.213 8.549 -0.157 1.00 0.00 C ATOM 234 C MET A 16 -8.671 9.851 -0.737 1.00 0.00 C ATOM 235 O MET A 16 -7.484 9.966 -1.048 1.00 0.00 O ATOM 236 CB MET A 16 -9.891 7.733 -1.256 1.00 0.00 C ATOM 237 CG MET A 16 -8.936 7.341 -2.374 1.00 0.00 C ATOM 238 SD MET A 16 -7.537 6.372 -1.768 1.00 0.00 S ATOM 239 CE MET A 16 -6.474 6.351 -3.208 1.00 0.00 C ATOM 0 H MET A 16 -11.111 8.626 0.732 1.00 0.00 H new ATOM 0 HA MET A 16 -8.386 7.962 0.244 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.322 6.832 -0.820 1.00 0.00 H new ATOM 0 HB3 MET A 16 -10.716 8.310 -1.674 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.476 6.765 -3.126 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.567 8.241 -2.866 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.500 5.945 -2.935 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.923 5.729 -3.982 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.351 7.367 -3.585 1.00 0.00 H new ATOM 249 N ASP A 17 -9.553 10.840 -0.842 1.00 0.00 N ATOM 250 CA ASP A 17 -9.210 12.141 -1.413 1.00 0.00 C ATOM 251 C ASP A 17 -8.119 12.836 -0.618 1.00 0.00 C ATOM 252 O ASP A 17 -7.309 13.579 -1.172 1.00 0.00 O ATOM 253 CB ASP A 17 -10.446 13.038 -1.478 1.00 0.00 C ATOM 254 CG ASP A 17 -10.145 14.393 -2.087 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.945 14.464 -3.316 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.115 15.397 -1.341 1.00 0.00 O ATOM 0 H ASP A 17 -10.523 10.764 -0.535 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.835 11.962 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.220 12.543 -2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.846 13.175 -0.473 1.00 0.00 H new ATOM 261 N GLN A 18 -8.070 12.573 0.674 1.00 0.00 N ATOM 262 CA GLN A 18 -7.133 13.280 1.522 1.00 0.00 C ATOM 263 C GLN A 18 -5.785 12.575 1.591 1.00 0.00 C ATOM 264 O GLN A 18 -4.780 13.198 1.917 1.00 0.00 O ATOM 265 CB GLN A 18 -7.719 13.525 2.904 1.00 0.00 C ATOM 266 CG GLN A 18 -8.741 14.651 2.904 1.00 0.00 C ATOM 267 CD GLN A 18 -8.843 15.334 4.253 1.00 0.00 C ATOM 268 OE1 GLN A 18 -7.870 15.388 5.010 1.00 0.00 O ATOM 269 NE2 GLN A 18 -10.015 15.858 4.568 1.00 0.00 N ATOM 0 H GLN A 18 -8.656 11.888 1.151 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.952 14.254 1.068 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.189 12.610 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.915 13.766 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.469 15.386 2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.717 14.253 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.795 15.792 3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.139 16.328 5.465 1.00 0.00 H new ATOM 278 N CYS A 19 -5.746 11.288 1.269 1.00 0.00 N ATOM 279 CA CYS A 19 -4.464 10.624 1.064 1.00 0.00 C ATOM 280 C CYS A 19 -3.893 11.046 -0.278 1.00 0.00 C ATOM 281 O CYS A 19 -2.676 11.179 -0.447 1.00 0.00 O ATOM 282 CB CYS A 19 -4.586 9.106 1.158 1.00 0.00 C ATOM 283 SG CYS A 19 -4.682 8.505 2.870 1.00 0.00 S ATOM 0 H CYS A 19 -6.566 10.694 1.146 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.784 10.929 1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.475 8.784 0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.729 8.647 0.665 1.00 0.00 H new ATOM 288 N LYS A 20 -4.795 11.293 -1.221 1.00 0.00 N ATOM 289 CA LYS A 20 -4.434 11.797 -2.531 1.00 0.00 C ATOM 290 C LYS A 20 -3.757 13.159 -2.410 1.00 0.00 C ATOM 291 O LYS A 20 -2.689 13.388 -2.980 1.00 0.00 O ATOM 292 CB LYS A 20 -5.697 11.872 -3.406 1.00 0.00 C ATOM 293 CG LYS A 20 -5.580 12.708 -4.676 1.00 0.00 C ATOM 294 CD LYS A 20 -4.608 12.114 -5.681 1.00 0.00 C ATOM 295 CE LYS A 20 -4.708 12.820 -7.024 1.00 0.00 C ATOM 296 NZ LYS A 20 -4.488 14.284 -6.908 1.00 0.00 N ATOM 0 H LYS A 20 -5.797 11.148 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.721 11.121 -3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.981 10.858 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.510 12.275 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.563 12.799 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.256 13.715 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.590 12.195 -5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.816 11.052 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.974 12.398 -7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.691 12.636 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.363 14.692 -7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.310 14.723 -6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.636 14.463 -6.339 1.00 0.00 H new ATOM 310 N ASP A 21 -4.370 14.042 -1.633 1.00 0.00 N ATOM 311 CA ASP A 21 -3.856 15.394 -1.448 1.00 0.00 C ATOM 312 C ASP A 21 -2.604 15.410 -0.575 1.00 0.00 C ATOM 313 O ASP A 21 -1.670 16.166 -0.837 1.00 0.00 O ATOM 314 CB ASP A 21 -4.925 16.287 -0.821 1.00 0.00 C ATOM 315 CG ASP A 21 -4.456 17.720 -0.671 1.00 0.00 C ATOM 316 OD1 ASP A 21 -4.634 18.509 -1.622 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.916 18.065 0.399 1.00 0.00 O ATOM 0 H ASP A 21 -5.228 13.845 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.589 15.776 -2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.824 16.263 -1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.199 15.892 0.157 1.00 0.00 H new ATOM 322 N GLU A 22 -2.586 14.561 0.451 1.00 0.00 N ATOM 323 CA GLU A 22 -1.473 14.523 1.401 1.00 0.00 C ATOM 324 C GLU A 22 -0.170 14.167 0.694 1.00 0.00 C ATOM 325 O GLU A 22 0.880 14.745 0.975 1.00 0.00 O ATOM 326 CB GLU A 22 -1.743 13.495 2.496 1.00 0.00 C ATOM 327 CG GLU A 22 -0.887 13.666 3.737 1.00 0.00 C ATOM 328 CD GLU A 22 -1.476 14.665 4.703 1.00 0.00 C ATOM 329 OE1 GLU A 22 -1.178 15.871 4.577 1.00 0.00 O ATOM 330 OE2 GLU A 22 -2.244 14.248 5.596 1.00 0.00 O ATOM 0 H GLU A 22 -3.329 13.890 0.647 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.380 15.514 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.793 13.553 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.578 12.497 2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.776 12.703 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.112 13.991 3.445 1.00 0.00 H new ATOM 337 N LEU A 23 -0.242 13.208 -0.219 1.00 0.00 N ATOM 338 CA LEU A 23 0.938 12.783 -0.961 1.00 0.00 C ATOM 339 C LEU A 23 1.141 13.647 -2.182 1.00 0.00 C ATOM 340 O LEU A 23 2.189 13.592 -2.827 1.00 0.00 O ATOM 341 CB LEU A 23 0.811 11.318 -1.376 1.00 0.00 C ATOM 342 CG LEU A 23 0.688 10.351 -0.212 1.00 0.00 C ATOM 343 CD1 LEU A 23 1.014 8.938 -0.652 1.00 0.00 C ATOM 344 CD2 LEU A 23 1.603 10.809 0.898 1.00 0.00 C ATOM 0 H LEU A 23 -1.099 12.712 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 23 1.804 12.891 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.062 11.208 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.682 11.044 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.339 10.342 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.920 8.262 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.323 8.633 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.035 8.902 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.524 10.123 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.632 10.825 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.315 11.810 1.217 1.00 0.00 H new ATOM 356 N SER A 24 0.130 14.448 -2.477 1.00 0.00 N ATOM 357 CA SER A 24 0.105 15.252 -3.683 1.00 0.00 C ATOM 358 C SER A 24 0.241 14.326 -4.886 1.00 0.00 C ATOM 359 O SER A 24 0.961 14.623 -5.842 1.00 0.00 O ATOM 360 CB SER A 24 1.226 16.301 -3.661 1.00 0.00 C ATOM 361 OG SER A 24 1.101 17.218 -4.735 1.00 0.00 O ATOM 0 H SER A 24 -0.694 14.557 -1.886 1.00 0.00 H new ATOM 0 HA SER A 24 -0.839 15.793 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.201 16.842 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.194 15.802 -3.718 1.00 0.00 H new ATOM 0 HG SER A 24 1.033 16.725 -5.579 1.00 0.00 H new ATOM 367 N LEU A 25 -0.466 13.195 -4.811 1.00 0.00 N ATOM 368 CA LEU A 25 -0.401 12.169 -5.851 1.00 0.00 C ATOM 369 C LEU A 25 -0.637 12.777 -7.230 1.00 0.00 C ATOM 370 O LEU A 25 -1.692 13.355 -7.489 1.00 0.00 O ATOM 371 CB LEU A 25 -1.460 11.079 -5.639 1.00 0.00 C ATOM 372 CG LEU A 25 -1.194 10.010 -4.565 1.00 0.00 C ATOM 373 CD1 LEU A 25 -2.252 8.933 -4.669 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.184 9.404 -4.731 1.00 0.00 C ATOM 0 H LEU A 25 -1.091 12.968 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 25 0.596 11.732 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.401 11.571 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.607 10.567 -6.590 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.236 10.478 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.071 8.171 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.237 9.374 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.212 8.478 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.346 8.652 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.261 8.938 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.938 10.185 -4.640 1.00 0.00 H new ATOM 386 N PRO A 26 0.343 12.653 -8.128 1.00 0.00 N ATOM 387 CA PRO A 26 0.184 13.034 -9.528 1.00 0.00 C ATOM 388 C PRO A 26 -0.712 12.042 -10.261 1.00 0.00 C ATOM 389 O PRO A 26 -0.857 10.892 -9.833 1.00 0.00 O ATOM 390 CB PRO A 26 1.616 12.998 -10.086 1.00 0.00 C ATOM 391 CG PRO A 26 2.503 12.891 -8.889 1.00 0.00 C ATOM 392 CD PRO A 26 1.694 12.175 -7.852 1.00 0.00 C ATOM 0 HA PRO A 26 -0.288 14.009 -9.648 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.756 12.150 -10.756 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.837 13.898 -10.660 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.414 12.341 -9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.807 13.877 -8.537 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.771 11.092 -7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.015 12.425 -6.841 1.00 0.00 H new ATOM 400 N ASP A 27 -1.300 12.477 -11.365 1.00 0.00 N ATOM 401 CA ASP A 27 -2.256 11.655 -12.101 1.00 0.00 C ATOM 402 C ASP A 27 -1.597 10.414 -12.691 1.00 0.00 C ATOM 403 O ASP A 27 -2.248 9.390 -12.876 1.00 0.00 O ATOM 404 CB ASP A 27 -2.946 12.469 -13.194 1.00 0.00 C ATOM 405 CG ASP A 27 -1.984 13.007 -14.234 1.00 0.00 C ATOM 406 OD1 ASP A 27 -1.289 14.008 -13.949 1.00 0.00 O ATOM 407 OD2 ASP A 27 -1.918 12.434 -15.342 1.00 0.00 O ATOM 0 H ASP A 27 -1.133 13.396 -11.774 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.011 11.320 -11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.692 11.845 -13.686 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.479 13.302 -12.736 1.00 0.00 H new ATOM 412 N SER A 28 -0.309 10.492 -12.967 1.00 0.00 N ATOM 413 CA SER A 28 0.420 9.336 -13.459 1.00 0.00 C ATOM 414 C SER A 28 0.546 8.276 -12.364 1.00 0.00 C ATOM 415 O SER A 28 0.387 7.080 -12.619 1.00 0.00 O ATOM 416 CB SER A 28 1.795 9.767 -13.967 1.00 0.00 C ATOM 417 OG SER A 28 1.664 10.757 -14.977 1.00 0.00 O ATOM 0 H SER A 28 0.252 11.337 -12.860 1.00 0.00 H new ATOM 0 HA SER A 28 -0.132 8.894 -14.289 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.388 10.158 -13.141 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.330 8.904 -14.363 1.00 0.00 H new ATOM 0 HG SER A 28 2.553 11.024 -15.291 1.00 0.00 H new ATOM 423 N VAL A 29 0.784 8.724 -11.137 1.00 0.00 N ATOM 424 CA VAL A 29 0.959 7.815 -10.014 1.00 0.00 C ATOM 425 C VAL A 29 -0.375 7.184 -9.620 1.00 0.00 C ATOM 426 O VAL A 29 -0.446 5.976 -9.398 1.00 0.00 O ATOM 427 CB VAL A 29 1.601 8.528 -8.803 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.825 7.564 -7.642 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.917 9.172 -9.215 1.00 0.00 C ATOM 0 H VAL A 29 0.860 9.712 -10.896 1.00 0.00 H new ATOM 0 HA VAL A 29 1.638 7.024 -10.331 1.00 0.00 H new ATOM 0 HB VAL A 29 0.913 9.302 -8.464 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.278 8.099 -6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.869 7.144 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.488 6.759 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.362 9.672 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.599 8.404 -9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.734 9.901 -10.004 1.00 0.00 H new ATOM 439 N VAL A 30 -1.440 7.993 -9.548 1.00 0.00 N ATOM 440 CA VAL A 30 -2.776 7.458 -9.276 1.00 0.00 C ATOM 441 C VAL A 30 -3.184 6.454 -10.358 1.00 0.00 C ATOM 442 O VAL A 30 -3.896 5.490 -10.089 1.00 0.00 O ATOM 443 CB VAL A 30 -3.852 8.566 -9.172 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.422 9.629 -8.187 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.169 9.189 -10.521 1.00 0.00 C ATOM 0 H VAL A 30 -1.403 9.005 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.718 6.959 -8.309 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.766 8.095 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.190 10.400 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.281 9.179 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.485 10.075 -8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.929 9.960 -10.396 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.265 9.634 -10.938 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.540 8.420 -11.199 1.00 0.00 H new ATOM 455 N ALA A 31 -2.703 6.687 -11.577 1.00 0.00 N ATOM 456 CA ALA A 31 -3.020 5.834 -12.720 1.00 0.00 C ATOM 457 C ALA A 31 -2.470 4.424 -12.548 1.00 0.00 C ATOM 458 O ALA A 31 -3.202 3.445 -12.688 1.00 0.00 O ATOM 459 CB ALA A 31 -2.460 6.442 -13.989 1.00 0.00 C ATOM 0 H ALA A 31 -2.086 7.468 -11.800 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.106 5.766 -12.786 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.700 5.800 -14.837 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.898 7.428 -14.144 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.378 6.536 -13.901 1.00 0.00 H new ATOM 465 N ASP A 32 -1.177 4.320 -12.248 1.00 0.00 N ATOM 466 CA ASP A 32 -0.561 3.012 -12.033 1.00 0.00 C ATOM 467 C ASP A 32 -1.124 2.387 -10.769 1.00 0.00 C ATOM 468 O ASP A 32 -1.320 1.172 -10.692 1.00 0.00 O ATOM 469 CB ASP A 32 0.966 3.116 -11.924 1.00 0.00 C ATOM 470 CG ASP A 32 1.636 3.506 -13.229 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.571 2.723 -14.201 1.00 0.00 O ATOM 472 OD2 ASP A 32 2.257 4.587 -13.284 1.00 0.00 O ATOM 0 H ASP A 32 -0.543 5.113 -12.149 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.792 2.385 -12.894 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.220 3.851 -11.160 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.366 2.158 -11.591 1.00 0.00 H new ATOM 477 N LEU A 33 -1.376 3.238 -9.782 1.00 0.00 N ATOM 478 CA LEU A 33 -1.997 2.827 -8.532 1.00 0.00 C ATOM 479 C LEU A 33 -3.316 2.101 -8.779 1.00 0.00 C ATOM 480 O LEU A 33 -3.498 0.966 -8.347 1.00 0.00 O ATOM 481 CB LEU A 33 -2.253 4.067 -7.671 1.00 0.00 C ATOM 482 CG LEU A 33 -2.617 3.802 -6.216 1.00 0.00 C ATOM 483 CD1 LEU A 33 -1.428 3.197 -5.497 1.00 0.00 C ATOM 484 CD2 LEU A 33 -3.058 5.089 -5.539 1.00 0.00 C ATOM 0 H LEU A 33 -1.155 4.233 -9.827 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.323 2.140 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.361 4.692 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.058 4.643 -8.128 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.448 3.098 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.690 3.008 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.151 2.259 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.587 3.889 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.315 4.884 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.247 5.816 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.929 5.492 -6.055 1.00 0.00 H new ATOM 496 N TYR A 34 -4.235 2.766 -9.471 1.00 0.00 N ATOM 497 CA TYR A 34 -5.540 2.177 -9.781 1.00 0.00 C ATOM 498 C TYR A 34 -5.523 1.005 -10.790 1.00 0.00 C ATOM 499 O TYR A 34 -6.594 0.609 -11.253 1.00 0.00 O ATOM 500 CB TYR A 34 -6.511 3.261 -10.258 1.00 0.00 C ATOM 501 CG TYR A 34 -6.979 4.159 -9.139 1.00 0.00 C ATOM 502 CD1 TYR A 34 -7.663 3.631 -8.051 1.00 0.00 C ATOM 503 CD2 TYR A 34 -6.725 5.524 -9.154 1.00 0.00 C ATOM 504 CE1 TYR A 34 -8.084 4.438 -7.014 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.139 6.337 -8.118 1.00 0.00 C ATOM 506 CZ TYR A 34 -7.818 5.788 -7.051 1.00 0.00 C ATOM 507 OH TYR A 34 -8.223 6.588 -6.011 1.00 0.00 O ATOM 0 H TYR A 34 -4.104 3.712 -9.829 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.874 1.737 -8.841 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.026 3.866 -11.024 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.375 2.789 -10.725 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.869 2.571 -8.016 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.195 5.957 -9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.619 4.013 -6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.932 7.397 -8.143 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.958 7.515 -6.189 1.00 0.00 H new ATOM 517 N ASN A 35 -4.356 0.450 -11.159 1.00 0.00 N ATOM 518 CA ASN A 35 -4.328 -0.644 -12.123 1.00 0.00 C ATOM 519 C ASN A 35 -4.995 -1.884 -11.532 1.00 0.00 C ATOM 520 O ASN A 35 -4.415 -2.580 -10.698 1.00 0.00 O ATOM 521 CB ASN A 35 -2.893 -0.965 -12.547 1.00 0.00 C ATOM 522 CG ASN A 35 -2.830 -2.046 -13.610 1.00 0.00 C ATOM 523 OD1 ASN A 35 -3.750 -2.202 -14.417 1.00 0.00 O ATOM 524 ND2 ASN A 35 -1.740 -2.795 -13.627 1.00 0.00 N ATOM 0 H ASN A 35 -3.442 0.738 -10.809 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.881 -0.332 -13.009 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.418 -0.060 -12.925 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.322 -1.284 -11.675 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.639 -3.532 -14.324 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.001 -2.635 -12.943 1.00 0.00 H new ATOM 531 N PHE A 36 -6.217 -2.149 -11.973 1.00 0.00 N ATOM 532 CA PHE A 36 -7.017 -3.242 -11.436 1.00 0.00 C ATOM 533 C PHE A 36 -6.460 -4.595 -11.869 1.00 0.00 C ATOM 534 O PHE A 36 -6.545 -5.581 -11.138 1.00 0.00 O ATOM 535 CB PHE A 36 -8.470 -3.090 -11.902 1.00 0.00 C ATOM 536 CG PHE A 36 -9.398 -4.156 -11.394 1.00 0.00 C ATOM 537 CD1 PHE A 36 -9.866 -4.124 -10.090 1.00 0.00 C ATOM 538 CD2 PHE A 36 -9.808 -5.187 -12.224 1.00 0.00 C ATOM 539 CE1 PHE A 36 -10.727 -5.097 -9.625 1.00 0.00 C ATOM 540 CE2 PHE A 36 -10.668 -6.164 -11.764 1.00 0.00 C ATOM 541 CZ PHE A 36 -11.129 -6.119 -10.463 1.00 0.00 C ATOM 0 H PHE A 36 -6.680 -1.616 -12.709 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.979 -3.199 -10.347 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.842 -2.117 -11.580 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.492 -3.095 -12.992 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.553 -3.328 -9.430 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.451 -5.227 -13.242 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.086 -5.060 -8.607 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.980 -6.963 -12.421 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.803 -6.882 -10.101 1.00 0.00 H new ATOM 551 N TRP A 37 -5.885 -4.633 -13.056 1.00 0.00 N ATOM 552 CA TRP A 37 -5.359 -5.872 -13.599 1.00 0.00 C ATOM 553 C TRP A 37 -3.904 -6.054 -13.202 1.00 0.00 C ATOM 554 O TRP A 37 -3.014 -5.427 -13.777 1.00 0.00 O ATOM 555 CB TRP A 37 -5.509 -5.885 -15.119 1.00 0.00 C ATOM 556 CG TRP A 37 -6.935 -5.743 -15.549 1.00 0.00 C ATOM 557 CD1 TRP A 37 -7.858 -6.739 -15.654 1.00 0.00 C ATOM 558 CD2 TRP A 37 -7.605 -4.530 -15.913 1.00 0.00 C ATOM 559 NE1 TRP A 37 -9.063 -6.222 -16.061 1.00 0.00 N ATOM 560 CE2 TRP A 37 -8.933 -4.868 -16.228 1.00 0.00 C ATOM 561 CE3 TRP A 37 -7.209 -3.193 -16.005 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -9.868 -3.918 -16.626 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -8.139 -2.251 -16.398 1.00 0.00 C ATOM 564 CH2 TRP A 37 -9.455 -2.617 -16.704 1.00 0.00 C ATOM 0 H TRP A 37 -5.770 -3.821 -13.663 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.929 -6.704 -13.186 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.920 -5.074 -15.547 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.103 -6.816 -15.514 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.670 -7.782 -15.447 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -9.917 -6.759 -16.214 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.195 -2.902 -15.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.883 -4.198 -16.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -7.846 -1.214 -16.471 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -10.159 -1.856 -17.008 1.00 0.00 H new ATOM 575 N LYS A 38 -3.667 -6.901 -12.207 1.00 0.00 N ATOM 576 CA LYS A 38 -2.311 -7.168 -11.751 1.00 0.00 C ATOM 577 C LYS A 38 -1.568 -8.014 -12.766 1.00 0.00 C ATOM 578 O LYS A 38 -1.473 -9.236 -12.642 1.00 0.00 O ATOM 579 CB LYS A 38 -2.293 -7.850 -10.385 1.00 0.00 C ATOM 580 CG LYS A 38 -2.828 -6.982 -9.263 1.00 0.00 C ATOM 581 CD LYS A 38 -4.335 -7.121 -9.083 1.00 0.00 C ATOM 582 CE LYS A 38 -4.726 -8.432 -8.407 1.00 0.00 C ATOM 583 NZ LYS A 38 -4.587 -9.613 -9.304 1.00 0.00 N ATOM 0 H LYS A 38 -4.393 -7.411 -11.704 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.808 -6.207 -11.648 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.883 -8.765 -10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.270 -8.144 -10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.328 -7.249 -8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.585 -5.939 -9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.705 -6.285 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.821 -7.059 -10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.104 -8.578 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.758 -8.363 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.309 -10.321 -9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.714 -9.315 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.641 -10.029 -9.186 1.00 0.00 H new ATOM 597 N ASP A 39 -1.100 -7.343 -13.798 1.00 0.00 N ATOM 598 CA ASP A 39 -0.358 -7.969 -14.896 1.00 0.00 C ATOM 599 C ASP A 39 0.991 -8.596 -14.469 1.00 0.00 C ATOM 600 O ASP A 39 1.787 -8.964 -15.330 1.00 0.00 O ATOM 601 CB ASP A 39 -0.123 -6.923 -15.992 1.00 0.00 C ATOM 602 CG ASP A 39 0.129 -7.543 -17.352 1.00 0.00 C ATOM 603 OD1 ASP A 39 -0.809 -8.153 -17.909 1.00 0.00 O ATOM 604 OD2 ASP A 39 1.254 -7.418 -17.876 1.00 0.00 O ATOM 0 H ASP A 39 -1.220 -6.336 -13.908 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.967 -8.796 -15.260 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.991 -6.266 -16.053 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.729 -6.301 -15.718 1.00 0.00 H new ATOM 609 N ASP A 40 1.242 -8.756 -13.159 1.00 0.00 N ATOM 610 CA ASP A 40 2.571 -9.112 -12.659 1.00 0.00 C ATOM 611 C ASP A 40 3.584 -8.048 -13.057 1.00 0.00 C ATOM 612 O ASP A 40 4.406 -8.250 -13.950 1.00 0.00 O ATOM 613 CB ASP A 40 3.017 -10.498 -13.153 1.00 0.00 C ATOM 614 CG ASP A 40 4.374 -10.908 -12.610 1.00 0.00 C ATOM 615 OD1 ASP A 40 4.455 -11.285 -11.424 1.00 0.00 O ATOM 616 OD2 ASP A 40 5.365 -10.865 -13.370 1.00 0.00 O ATOM 0 H ASP A 40 0.538 -8.643 -12.430 1.00 0.00 H new ATOM 0 HA ASP A 40 2.515 -9.160 -11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.274 -11.240 -12.859 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.052 -10.496 -14.242 1.00 0.00 H new ATOM 621 N TYR A 41 3.477 -6.884 -12.432 1.00 0.00 N ATOM 622 CA TYR A 41 4.414 -5.808 -12.679 1.00 0.00 C ATOM 623 C TYR A 41 5.216 -5.492 -11.424 1.00 0.00 C ATOM 624 O TYR A 41 4.979 -6.074 -10.362 1.00 0.00 O ATOM 625 CB TYR A 41 3.702 -4.549 -13.201 1.00 0.00 C ATOM 626 CG TYR A 41 2.812 -3.791 -12.216 1.00 0.00 C ATOM 627 CD1 TYR A 41 2.521 -4.276 -10.943 1.00 0.00 C ATOM 628 CD2 TYR A 41 2.271 -2.561 -12.577 1.00 0.00 C ATOM 629 CE1 TYR A 41 1.723 -3.563 -10.069 1.00 0.00 C ATOM 630 CE2 TYR A 41 1.474 -1.842 -11.707 1.00 0.00 C ATOM 631 CZ TYR A 41 1.202 -2.347 -10.455 1.00 0.00 C ATOM 632 OH TYR A 41 0.414 -1.632 -9.583 1.00 0.00 O ATOM 0 H TYR A 41 2.750 -6.665 -11.751 1.00 0.00 H new ATOM 0 HA TYR A 41 5.104 -6.143 -13.454 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.462 -3.860 -13.570 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.091 -4.837 -14.056 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.927 -5.228 -10.633 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.478 -2.160 -13.558 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.508 -3.957 -9.087 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.066 -0.888 -12.007 1.00 0.00 H new ATOM 0 HH TYR A 41 0.129 -0.797 -10.009 1.00 0.00 H new ATOM 642 N VAL A 42 6.159 -4.575 -11.544 1.00 0.00 N ATOM 643 CA VAL A 42 6.941 -4.140 -10.401 1.00 0.00 C ATOM 644 C VAL A 42 6.544 -2.723 -10.012 1.00 0.00 C ATOM 645 O VAL A 42 6.615 -1.805 -10.830 1.00 0.00 O ATOM 646 CB VAL A 42 8.457 -4.170 -10.687 1.00 0.00 C ATOM 647 CG1 VAL A 42 9.249 -3.884 -9.419 1.00 0.00 C ATOM 648 CG2 VAL A 42 8.867 -5.505 -11.288 1.00 0.00 C ATOM 0 H VAL A 42 6.402 -4.117 -12.422 1.00 0.00 H new ATOM 0 HA VAL A 42 6.733 -4.834 -9.587 1.00 0.00 H new ATOM 0 HB VAL A 42 8.681 -3.388 -11.413 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.316 -3.910 -9.643 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.982 -2.898 -9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.017 -4.639 -8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.940 -5.503 -11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.625 -6.307 -10.591 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.330 -5.663 -12.223 1.00 0.00 H new ATOM 658 N MET A 43 6.100 -2.549 -8.778 1.00 0.00 N ATOM 659 CA MET A 43 5.786 -1.223 -8.276 1.00 0.00 C ATOM 660 C MET A 43 7.077 -0.503 -7.917 1.00 0.00 C ATOM 661 O MET A 43 7.676 -0.762 -6.877 1.00 0.00 O ATOM 662 CB MET A 43 4.855 -1.300 -7.060 1.00 0.00 C ATOM 663 CG MET A 43 4.508 0.061 -6.468 1.00 0.00 C ATOM 664 SD MET A 43 3.252 -0.040 -5.178 1.00 0.00 S ATOM 665 CE MET A 43 1.842 -0.617 -6.123 1.00 0.00 C ATOM 0 H MET A 43 5.950 -3.305 -8.110 1.00 0.00 H new ATOM 0 HA MET A 43 5.265 -0.665 -9.054 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.934 -1.806 -7.350 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.326 -1.912 -6.291 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.410 0.514 -6.056 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.155 0.719 -7.262 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.966 -0.019 -5.871 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.053 -0.520 -7.188 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.648 -1.663 -5.885 1.00 0.00 H new ATOM 675 N THR A 44 7.519 0.373 -8.801 1.00 0.00 N ATOM 676 CA THR A 44 8.770 1.080 -8.605 1.00 0.00 C ATOM 677 C THR A 44 8.540 2.430 -7.943 1.00 0.00 C ATOM 678 O THR A 44 9.402 2.930 -7.214 1.00 0.00 O ATOM 679 CB THR A 44 9.517 1.283 -9.936 1.00 0.00 C ATOM 680 OG1 THR A 44 8.588 1.629 -10.975 1.00 0.00 O ATOM 681 CG2 THR A 44 10.296 0.036 -10.330 1.00 0.00 C ATOM 0 H THR A 44 7.029 0.612 -9.663 1.00 0.00 H new ATOM 0 HA THR A 44 9.384 0.462 -7.950 1.00 0.00 H new ATOM 0 HB THR A 44 10.229 2.098 -9.801 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.072 1.758 -11.817 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.812 0.212 -11.274 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.026 -0.197 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.608 -0.802 -10.444 1.00 0.00 H new ATOM 689 N ASP A 45 7.378 3.026 -8.193 1.00 0.00 N ATOM 690 CA ASP A 45 7.078 4.320 -7.607 1.00 0.00 C ATOM 691 C ASP A 45 6.672 4.154 -6.155 1.00 0.00 C ATOM 692 O ASP A 45 5.642 3.557 -5.835 1.00 0.00 O ATOM 693 CB ASP A 45 5.964 5.033 -8.371 1.00 0.00 C ATOM 694 CG ASP A 45 6.049 6.536 -8.208 1.00 0.00 C ATOM 695 OD1 ASP A 45 6.197 7.009 -7.066 1.00 0.00 O ATOM 696 OD2 ASP A 45 6.006 7.248 -9.234 1.00 0.00 O ATOM 0 H ASP A 45 6.644 2.640 -8.786 1.00 0.00 H new ATOM 0 HA ASP A 45 7.980 4.929 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.026 4.777 -9.429 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.996 4.682 -8.015 1.00 0.00 H new ATOM 701 N ARG A 46 7.503 4.701 -5.294 1.00 0.00 N ATOM 702 CA ARG A 46 7.235 4.754 -3.859 1.00 0.00 C ATOM 703 C ARG A 46 5.924 5.461 -3.552 1.00 0.00 C ATOM 704 O ARG A 46 5.213 5.076 -2.632 1.00 0.00 O ATOM 705 CB ARG A 46 8.372 5.457 -3.098 1.00 0.00 C ATOM 706 CG ARG A 46 8.619 6.921 -3.474 1.00 0.00 C ATOM 707 CD ARG A 46 9.052 7.065 -4.920 1.00 0.00 C ATOM 708 NE ARG A 46 10.250 6.278 -5.207 1.00 0.00 N ATOM 709 CZ ARG A 46 11.038 6.475 -6.264 1.00 0.00 C ATOM 710 NH1 ARG A 46 10.784 7.461 -7.117 1.00 0.00 N ATOM 711 NH2 ARG A 46 12.090 5.691 -6.461 1.00 0.00 N ATOM 0 H ARG A 46 8.390 5.126 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 46 7.164 3.719 -3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.155 5.407 -2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.294 4.899 -3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.709 7.498 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.385 7.340 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.242 6.747 -5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.245 8.115 -5.139 1.00 0.00 H new ATOM 0 HE ARG A 46 10.498 5.531 -4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.982 8.073 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.391 7.606 -7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.295 4.938 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.694 5.841 -7.270 1.00 0.00 H new ATOM 725 N LEU A 47 5.598 6.476 -4.338 1.00 0.00 N ATOM 726 CA LEU A 47 4.455 7.308 -4.092 1.00 0.00 C ATOM 727 C LEU A 47 3.154 6.501 -4.225 1.00 0.00 C ATOM 728 O LEU A 47 2.117 6.871 -3.667 1.00 0.00 O ATOM 729 CB LEU A 47 4.547 8.502 -5.054 1.00 0.00 C ATOM 730 CG LEU A 47 3.458 9.528 -4.963 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.416 10.133 -3.580 1.00 0.00 C ATOM 732 CD2 LEU A 47 3.697 10.587 -6.009 1.00 0.00 C ATOM 0 H LEU A 47 6.130 6.738 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 47 4.444 7.687 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.500 9.002 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.566 8.116 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 47 2.492 9.056 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.620 10.876 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.227 9.350 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.371 10.611 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.910 11.339 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.664 11.059 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.690 10.129 -6.998 1.00 0.00 H new ATOM 744 N ALA A 48 3.241 5.341 -4.878 1.00 0.00 N ATOM 745 CA ALA A 48 2.099 4.463 -5.023 1.00 0.00 C ATOM 746 C ALA A 48 1.975 3.622 -3.761 1.00 0.00 C ATOM 747 O ALA A 48 0.969 3.684 -3.054 1.00 0.00 O ATOM 748 CB ALA A 48 2.261 3.586 -6.255 1.00 0.00 C ATOM 0 H ALA A 48 4.096 4.995 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 48 1.189 5.048 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.395 2.931 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.341 4.215 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.163 2.983 -6.156 1.00 0.00 H new ATOM 754 N GLY A 49 3.013 2.828 -3.504 1.00 0.00 N ATOM 755 CA GLY A 49 3.189 2.191 -2.202 1.00 0.00 C ATOM 756 C GLY A 49 2.816 3.073 -1.001 1.00 0.00 C ATOM 757 O GLY A 49 2.134 2.602 -0.086 1.00 0.00 O ATOM 0 H GLY A 49 3.745 2.611 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.585 1.284 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.230 1.884 -2.101 1.00 0.00 H new ATOM 761 N CYS A 50 3.253 4.341 -0.983 1.00 0.00 N ATOM 762 CA CYS A 50 2.944 5.237 0.118 1.00 0.00 C ATOM 763 C CYS A 50 1.439 5.491 0.192 1.00 0.00 C ATOM 764 O CYS A 50 0.854 5.468 1.275 1.00 0.00 O ATOM 765 CB CYS A 50 3.694 6.568 -0.048 1.00 0.00 C ATOM 766 SG CYS A 50 5.526 6.471 0.036 1.00 0.00 S ATOM 0 H CYS A 50 3.819 4.759 -1.721 1.00 0.00 H new ATOM 0 HA CYS A 50 3.267 4.765 1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.416 7.002 -1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.350 7.256 0.725 1.00 0.00 H new ATOM 771 N ALA A 51 0.810 5.702 -0.967 1.00 0.00 N ATOM 772 CA ALA A 51 -0.624 5.987 -1.018 1.00 0.00 C ATOM 773 C ALA A 51 -1.451 4.801 -0.532 1.00 0.00 C ATOM 774 O ALA A 51 -2.571 4.971 -0.048 1.00 0.00 O ATOM 775 CB ALA A 51 -1.034 6.366 -2.432 1.00 0.00 C ATOM 0 H ALA A 51 1.269 5.681 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.819 6.825 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.103 6.576 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.483 7.253 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.810 5.542 -3.109 1.00 0.00 H new ATOM 781 N ILE A 52 -0.886 3.608 -0.639 1.00 0.00 N ATOM 782 CA ILE A 52 -1.551 2.406 -0.158 1.00 0.00 C ATOM 783 C ILE A 52 -1.525 2.365 1.367 1.00 0.00 C ATOM 784 O ILE A 52 -2.489 1.945 2.011 1.00 0.00 O ATOM 785 CB ILE A 52 -0.883 1.130 -0.719 1.00 0.00 C ATOM 786 CG1 ILE A 52 -0.902 1.148 -2.249 1.00 0.00 C ATOM 787 CG2 ILE A 52 -1.580 -0.119 -0.193 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.199 -0.033 -2.885 1.00 0.00 C ATOM 0 H ILE A 52 0.031 3.446 -1.055 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.583 2.436 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 52 0.154 1.110 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.937 1.169 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.433 2.068 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.094 -1.006 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.519 -0.139 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.627 -0.107 -0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.255 0.051 -3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.846 -0.044 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.681 -0.958 -2.567 1.00 0.00 H new ATOM 800 N ASN A 53 -0.433 2.852 1.937 1.00 0.00 N ATOM 801 CA ASN A 53 -0.220 2.785 3.377 1.00 0.00 C ATOM 802 C ASN A 53 -0.445 4.149 4.011 1.00 0.00 C ATOM 803 O ASN A 53 0.333 4.592 4.858 1.00 0.00 O ATOM 804 CB ASN A 53 1.205 2.302 3.682 1.00 0.00 C ATOM 805 CG ASN A 53 1.443 0.857 3.280 1.00 0.00 C ATOM 806 OD1 ASN A 53 1.240 -0.065 4.071 1.00 0.00 O ATOM 807 ND2 ASN A 53 1.882 0.648 2.046 1.00 0.00 N ATOM 0 H ASN A 53 0.324 3.301 1.422 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.935 2.077 3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.918 2.940 3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.399 2.413 4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.063 -0.302 1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.038 1.438 1.420 1.00 0.00 H new ATOM 814 N CYS A 54 -1.517 4.815 3.609 1.00 0.00 N ATOM 815 CA CYS A 54 -1.818 6.136 4.138 1.00 0.00 C ATOM 816 C CYS A 54 -3.080 6.139 5.007 1.00 0.00 C ATOM 817 O CYS A 54 -3.063 6.642 6.129 1.00 0.00 O ATOM 818 CB CYS A 54 -1.987 7.138 2.996 1.00 0.00 C ATOM 819 SG CYS A 54 -2.764 8.704 3.510 1.00 0.00 S ATOM 0 H CYS A 54 -2.188 4.466 2.924 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.976 6.426 4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.010 7.352 2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.591 6.683 2.211 1.00 0.00 H new ATOM 824 N LEU A 55 -4.153 5.534 4.506 1.00 0.00 N ATOM 825 CA LEU A 55 -5.464 5.639 5.150 1.00 0.00 C ATOM 826 C LEU A 55 -5.453 4.979 6.525 1.00 0.00 C ATOM 827 O LEU A 55 -5.785 5.602 7.540 1.00 0.00 O ATOM 828 CB LEU A 55 -6.538 5.007 4.246 1.00 0.00 C ATOM 829 CG LEU A 55 -7.997 5.377 4.562 1.00 0.00 C ATOM 830 CD1 LEU A 55 -8.888 5.061 3.371 1.00 0.00 C ATOM 831 CD2 LEU A 55 -8.503 4.637 5.792 1.00 0.00 C ATOM 0 H LEU A 55 -4.144 4.967 3.658 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.700 6.693 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.328 5.292 3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.440 3.923 4.304 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.032 6.447 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.918 5.327 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.554 5.633 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.831 3.996 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.537 4.921 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.449 3.562 5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.886 4.897 6.652 1.00 0.00 H new ATOM 843 N ALA A 56 -5.002 3.737 6.568 1.00 0.00 N ATOM 844 CA ALA A 56 -5.065 2.963 7.792 1.00 0.00 C ATOM 845 C ALA A 56 -3.911 3.331 8.707 1.00 0.00 C ATOM 846 O ALA A 56 -3.897 2.974 9.883 1.00 0.00 O ATOM 847 CB ALA A 56 -5.050 1.475 7.473 1.00 0.00 C ATOM 0 H ALA A 56 -4.591 3.247 5.774 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.997 3.194 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.098 0.904 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.909 1.228 6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.132 1.226 6.940 1.00 0.00 H new ATOM 853 N THR A 57 -2.957 4.069 8.163 1.00 0.00 N ATOM 854 CA THR A 57 -1.849 4.567 8.946 1.00 0.00 C ATOM 855 C THR A 57 -2.240 5.854 9.669 1.00 0.00 C ATOM 856 O THR A 57 -1.816 6.101 10.799 1.00 0.00 O ATOM 857 CB THR A 57 -0.608 4.812 8.068 1.00 0.00 C ATOM 858 OG1 THR A 57 -0.337 3.654 7.270 1.00 0.00 O ATOM 859 CG2 THR A 57 0.595 5.133 8.925 1.00 0.00 C ATOM 0 H THR A 57 -2.932 4.335 7.178 1.00 0.00 H new ATOM 0 HA THR A 57 -1.598 3.806 9.685 1.00 0.00 H new ATOM 0 HB THR A 57 -0.810 5.662 7.416 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.180 3.915 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.462 5.303 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.395 6.030 9.511 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.797 4.298 9.596 1.00 0.00 H new ATOM 867 N LYS A 58 -3.065 6.670 9.021 1.00 0.00 N ATOM 868 CA LYS A 58 -3.523 7.908 9.628 1.00 0.00 C ATOM 869 C LYS A 58 -4.631 7.653 10.644 1.00 0.00 C ATOM 870 O LYS A 58 -4.924 8.517 11.470 1.00 0.00 O ATOM 871 CB LYS A 58 -3.984 8.901 8.564 1.00 0.00 C ATOM 872 CG LYS A 58 -2.833 9.462 7.748 1.00 0.00 C ATOM 873 CD LYS A 58 -3.301 10.509 6.747 1.00 0.00 C ATOM 874 CE LYS A 58 -3.920 11.715 7.442 1.00 0.00 C ATOM 875 NZ LYS A 58 -4.308 12.784 6.481 1.00 0.00 N ATOM 0 H LYS A 58 -3.426 6.496 8.083 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.678 8.345 10.159 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.692 8.409 7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.517 9.721 9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.096 9.905 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.335 8.650 7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.457 10.833 6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.031 10.065 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.799 11.397 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.211 12.119 8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.740 13.576 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.463 13.120 5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.992 12.404 5.797 1.00 0.00 H new ATOM 889 N LEU A 59 -5.254 6.476 10.581 1.00 0.00 N ATOM 890 CA LEU A 59 -6.214 6.085 11.606 1.00 0.00 C ATOM 891 C LEU A 59 -5.520 5.925 12.959 1.00 0.00 C ATOM 892 O LEU A 59 -5.766 6.707 13.881 1.00 0.00 O ATOM 893 CB LEU A 59 -6.913 4.786 11.221 1.00 0.00 C ATOM 894 CG LEU A 59 -7.721 4.824 9.921 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.744 3.713 9.929 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.404 6.171 9.722 1.00 0.00 C ATOM 0 H LEU A 59 -5.112 5.788 9.842 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.963 6.873 11.687 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.161 4.002 11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.581 4.500 12.034 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.033 4.681 9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.319 3.741 9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.237 2.752 10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.416 3.843 10.777 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.967 6.159 8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.083 6.361 10.553 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.651 6.958 9.681 1.00 0.00 H new ATOM 908 N ASP A 60 -4.648 4.919 13.068 1.00 0.00 N ATOM 909 CA ASP A 60 -3.855 4.691 14.282 1.00 0.00 C ATOM 910 C ASP A 60 -2.929 3.500 14.081 1.00 0.00 C ATOM 911 O ASP A 60 -3.398 2.396 13.800 1.00 0.00 O ATOM 912 CB ASP A 60 -4.745 4.446 15.505 1.00 0.00 C ATOM 913 CG ASP A 60 -3.939 4.371 16.787 1.00 0.00 C ATOM 914 OD1 ASP A 60 -3.660 5.436 17.383 1.00 0.00 O ATOM 915 OD2 ASP A 60 -3.568 3.252 17.201 1.00 0.00 O ATOM 0 H ASP A 60 -4.472 4.244 12.324 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.269 5.591 14.466 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.480 5.247 15.585 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.299 3.517 15.370 1.00 0.00 H new ATOM 920 N VAL A 61 -1.625 3.713 14.227 1.00 0.00 N ATOM 921 CA VAL A 61 -0.653 2.655 13.968 1.00 0.00 C ATOM 922 C VAL A 61 0.776 3.126 14.288 1.00 0.00 C ATOM 923 O VAL A 61 1.754 2.716 13.658 1.00 0.00 O ATOM 924 CB VAL A 61 -0.750 2.216 12.486 1.00 0.00 C ATOM 925 CG1 VAL A 61 -0.314 3.337 11.564 1.00 0.00 C ATOM 926 CG2 VAL A 61 0.053 0.960 12.215 1.00 0.00 C ATOM 0 H VAL A 61 -1.219 4.601 14.521 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.880 1.808 14.616 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.796 1.985 12.284 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.390 3.007 10.528 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.957 4.204 11.716 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.719 3.608 11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.042 0.687 11.164 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.102 1.141 12.449 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.322 0.147 12.837 1.00 0.00 H new ATOM 936 N VAL A 62 0.917 3.960 15.301 1.00 0.00 N ATOM 937 CA VAL A 62 2.218 4.533 15.600 1.00 0.00 C ATOM 938 C VAL A 62 2.808 3.941 16.880 1.00 0.00 C ATOM 939 O VAL A 62 2.246 4.072 17.968 1.00 0.00 O ATOM 940 CB VAL A 62 2.170 6.080 15.675 1.00 0.00 C ATOM 941 CG1 VAL A 62 1.713 6.662 14.345 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.265 6.567 16.802 1.00 0.00 C ATOM 0 H VAL A 62 0.162 4.253 15.922 1.00 0.00 H new ATOM 0 HA VAL A 62 2.876 4.269 14.772 1.00 0.00 H new ATOM 0 HB VAL A 62 3.181 6.428 15.890 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.685 7.749 14.414 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.409 6.366 13.560 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.717 6.287 14.107 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.260 7.657 16.819 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.251 6.202 16.638 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.636 6.191 17.755 1.00 0.00 H new ATOM 952 N ASP A 63 3.926 3.235 16.729 1.00 0.00 N ATOM 953 CA ASP A 63 4.622 2.645 17.868 1.00 0.00 C ATOM 954 C ASP A 63 5.390 3.698 18.682 1.00 0.00 C ATOM 955 O ASP A 63 5.160 3.829 19.883 1.00 0.00 O ATOM 956 CB ASP A 63 5.585 1.546 17.400 1.00 0.00 C ATOM 957 CG ASP A 63 5.637 0.380 18.362 1.00 0.00 C ATOM 958 OD1 ASP A 63 4.780 -0.514 18.257 1.00 0.00 O ATOM 959 OD2 ASP A 63 6.542 0.355 19.220 1.00 0.00 O ATOM 0 H ASP A 63 4.369 3.058 15.828 1.00 0.00 H new ATOM 0 HA ASP A 63 3.862 2.209 18.517 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.276 1.190 16.417 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.585 1.966 17.287 1.00 0.00 H new ATOM 964 N PRO A 64 6.303 4.478 18.054 1.00 0.00 N ATOM 965 CA PRO A 64 7.203 5.373 18.765 1.00 0.00 C ATOM 966 C PRO A 64 6.707 6.820 18.803 1.00 0.00 C ATOM 967 O PRO A 64 5.512 7.079 18.941 1.00 0.00 O ATOM 968 CB PRO A 64 8.486 5.267 17.921 1.00 0.00 C ATOM 969 CG PRO A 64 8.071 4.664 16.605 1.00 0.00 C ATOM 970 CD PRO A 64 6.571 4.578 16.623 1.00 0.00 C ATOM 0 HA PRO A 64 7.316 5.102 19.815 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.939 6.248 17.775 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.229 4.644 18.418 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.413 5.279 15.773 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.514 3.676 16.475 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.104 5.457 16.179 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.203 3.711 16.075 1.00 0.00 H new ATOM 978 N ASP A 65 7.646 7.754 18.643 1.00 0.00 N ATOM 979 CA ASP A 65 7.385 9.195 18.760 1.00 0.00 C ATOM 980 C ASP A 65 6.600 9.746 17.568 1.00 0.00 C ATOM 981 O ASP A 65 6.390 10.954 17.454 1.00 0.00 O ATOM 982 CB ASP A 65 8.714 9.951 18.864 1.00 0.00 C ATOM 983 CG ASP A 65 9.511 9.580 20.097 1.00 0.00 C ATOM 984 OD1 ASP A 65 9.255 10.150 21.178 1.00 0.00 O ATOM 985 OD2 ASP A 65 10.410 8.712 19.988 1.00 0.00 O ATOM 0 H ASP A 65 8.618 7.533 18.427 1.00 0.00 H new ATOM 0 HA ASP A 65 6.782 9.339 19.657 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.312 9.746 17.976 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.516 11.023 18.875 1.00 0.00 H new ATOM 990 N GLY A 66 6.154 8.865 16.693 1.00 0.00 N ATOM 991 CA GLY A 66 5.514 9.293 15.468 1.00 0.00 C ATOM 992 C GLY A 66 6.101 8.572 14.279 1.00 0.00 C ATOM 993 O GLY A 66 5.505 7.633 13.744 1.00 0.00 O ATOM 0 H GLY A 66 6.223 7.854 16.808 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.443 9.099 15.525 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.637 10.369 15.344 1.00 0.00 H new ATOM 997 N ASN A 67 7.295 8.995 13.905 1.00 0.00 N ATOM 998 CA ASN A 67 8.046 8.377 12.821 1.00 0.00 C ATOM 999 C ASN A 67 8.527 6.983 13.213 1.00 0.00 C ATOM 1000 O ASN A 67 8.690 6.687 14.396 1.00 0.00 O ATOM 1001 CB ASN A 67 9.253 9.254 12.467 1.00 0.00 C ATOM 1002 CG ASN A 67 10.107 9.580 13.684 1.00 0.00 C ATOM 1003 OD1 ASN A 67 11.106 8.760 13.952 1.00 0.00 O flip ATOM 1004 ND2 ASN A 67 9.870 10.569 14.375 1.00 0.00 N flip ATOM 0 H ASN A 67 7.775 9.780 14.345 1.00 0.00 H new ATOM 0 HA ASN A 67 7.388 8.284 11.957 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.865 8.743 11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.905 10.181 12.012 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.089 11.181 14.138 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.454 10.777 15.185 1.00 0.00 H new ATOM 1011 N LEU A 68 8.726 6.132 12.206 1.00 0.00 N ATOM 1012 CA LEU A 68 9.317 4.804 12.394 1.00 0.00 C ATOM 1013 C LEU A 68 8.387 3.848 13.139 1.00 0.00 C ATOM 1014 O LEU A 68 8.846 2.974 13.874 1.00 0.00 O ATOM 1015 CB LEU A 68 10.672 4.896 13.113 1.00 0.00 C ATOM 1016 CG LEU A 68 11.887 5.107 12.203 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.980 3.984 11.184 1.00 0.00 C ATOM 1018 CD2 LEU A 68 11.824 6.459 11.501 1.00 0.00 C ATOM 0 H LEU A 68 8.483 6.342 11.238 1.00 0.00 H new ATOM 0 HA LEU A 68 9.474 4.394 11.396 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.629 5.717 13.829 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.823 3.981 13.686 1.00 0.00 H new ATOM 0 HG LEU A 68 12.782 5.096 12.825 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.847 4.145 10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.083 3.030 11.702 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.076 3.970 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.700 6.579 10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.921 6.511 10.892 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.806 7.255 12.245 1.00 0.00 H new ATOM 1030 N HIS A 69 7.084 3.998 12.936 1.00 0.00 N ATOM 1031 CA HIS A 69 6.121 3.035 13.458 1.00 0.00 C ATOM 1032 C HIS A 69 6.161 1.734 12.647 1.00 0.00 C ATOM 1033 O HIS A 69 5.306 1.479 11.807 1.00 0.00 O ATOM 1034 CB HIS A 69 4.706 3.636 13.483 1.00 0.00 C ATOM 1035 CG HIS A 69 4.307 4.389 12.239 1.00 0.00 C ATOM 1036 ND1 HIS A 69 4.357 5.766 12.147 1.00 0.00 N ATOM 1037 CD2 HIS A 69 3.832 3.957 11.046 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.933 6.142 10.957 1.00 0.00 C ATOM 1039 NE2 HIS A 69 3.610 5.066 10.267 1.00 0.00 N ATOM 0 H HIS A 69 6.671 4.773 12.417 1.00 0.00 H new ATOM 0 HA HIS A 69 6.397 2.796 14.485 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.989 2.831 13.647 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.630 4.310 14.337 1.00 0.00 H new ATOM 0 HD1 HIS A 69 4.673 6.395 12.885 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.660 2.930 10.760 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.862 7.161 10.606 1.00 0.00 H new ATOM 1048 N HIS A 70 7.190 0.935 12.896 1.00 0.00 N ATOM 1049 CA HIS A 70 7.417 -0.312 12.168 1.00 0.00 C ATOM 1050 C HIS A 70 6.654 -1.482 12.797 1.00 0.00 C ATOM 1051 O HIS A 70 5.814 -2.110 12.145 1.00 0.00 O ATOM 1052 CB HIS A 70 8.929 -0.591 12.109 1.00 0.00 C ATOM 1053 CG HIS A 70 9.313 -2.017 11.839 1.00 0.00 C ATOM 1054 ND1 HIS A 70 9.241 -2.609 10.595 1.00 0.00 N ATOM 1055 CD2 HIS A 70 9.791 -2.967 12.678 1.00 0.00 C ATOM 1056 CE1 HIS A 70 9.656 -3.861 10.683 1.00 0.00 C ATOM 1057 NE2 HIS A 70 9.996 -4.102 11.935 1.00 0.00 N ATOM 0 H HIS A 70 7.893 1.131 13.609 1.00 0.00 H new ATOM 0 HA HIS A 70 7.033 -0.205 11.153 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.367 0.038 11.334 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.374 -0.286 13.056 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.976 -2.852 13.736 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.708 -4.567 9.868 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.353 -4.988 12.292 1.00 0.00 H new ATOM 1066 N GLY A 71 6.946 -1.755 14.067 1.00 0.00 N ATOM 1067 CA GLY A 71 6.342 -2.890 14.753 1.00 0.00 C ATOM 1068 C GLY A 71 4.837 -2.807 14.776 1.00 0.00 C ATOM 1069 O GLY A 71 4.149 -3.745 14.370 1.00 0.00 O ATOM 0 H GLY A 71 7.592 -1.209 14.637 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.646 -3.814 14.260 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.717 -2.936 15.775 1.00 0.00 H new ATOM 1073 N ASN A 72 4.330 -1.677 15.234 1.00 0.00 N ATOM 1074 CA ASN A 72 2.889 -1.453 15.307 1.00 0.00 C ATOM 1075 C ASN A 72 2.230 -1.593 13.932 1.00 0.00 C ATOM 1076 O ASN A 72 1.115 -2.083 13.834 1.00 0.00 O ATOM 1077 CB ASN A 72 2.590 -0.070 15.894 1.00 0.00 C ATOM 1078 CG ASN A 72 1.196 0.027 16.495 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.243 -0.571 16.004 1.00 0.00 O ATOM 1080 ND2 ASN A 72 1.077 0.769 17.583 1.00 0.00 N ATOM 0 H ASN A 72 4.894 -0.894 15.564 1.00 0.00 H new ATOM 0 HA ASN A 72 2.470 -2.216 15.962 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.328 0.161 16.662 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.697 0.682 15.112 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.171 0.859 18.043 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.891 1.252 17.963 1.00 0.00 H new ATOM 1087 N ALA A 73 2.926 -1.195 12.867 1.00 0.00 N ATOM 1088 CA ALA A 73 2.346 -1.250 11.526 1.00 0.00 C ATOM 1089 C ALA A 73 2.140 -2.690 11.074 1.00 0.00 C ATOM 1090 O ALA A 73 1.139 -3.024 10.428 1.00 0.00 O ATOM 1091 CB ALA A 73 3.222 -0.502 10.533 1.00 0.00 C ATOM 0 H ALA A 73 3.880 -0.836 12.905 1.00 0.00 H new ATOM 0 HA ALA A 73 1.370 -0.765 11.564 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.774 -0.554 9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.308 0.541 10.838 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.213 -0.956 10.508 1.00 0.00 H new ATOM 1097 N LYS A 74 3.064 -3.554 11.451 1.00 0.00 N ATOM 1098 CA LYS A 74 2.960 -4.951 11.077 1.00 0.00 C ATOM 1099 C LYS A 74 1.986 -5.656 12.005 1.00 0.00 C ATOM 1100 O LYS A 74 1.204 -6.500 11.571 1.00 0.00 O ATOM 1101 CB LYS A 74 4.323 -5.633 11.108 1.00 0.00 C ATOM 1102 CG LYS A 74 5.369 -4.940 10.249 1.00 0.00 C ATOM 1103 CD LYS A 74 4.806 -4.459 8.913 1.00 0.00 C ATOM 1104 CE LYS A 74 4.285 -5.604 8.059 1.00 0.00 C ATOM 1105 NZ LYS A 74 3.717 -5.116 6.774 1.00 0.00 N ATOM 0 H LYS A 74 3.885 -3.317 12.009 1.00 0.00 H new ATOM 0 HA LYS A 74 2.587 -5.011 10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.678 -5.671 12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.212 -6.664 10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.777 -4.089 10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.196 -5.626 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.999 -3.749 9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.583 -3.925 8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.095 -6.305 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.521 -6.151 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.372 -5.924 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.928 -4.467 6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.454 -4.616 6.237 1.00 0.00 H new ATOM 1119 N ASP A 75 2.021 -5.275 13.275 1.00 0.00 N ATOM 1120 CA ASP A 75 1.075 -5.782 14.262 1.00 0.00 C ATOM 1121 C ASP A 75 -0.348 -5.381 13.885 1.00 0.00 C ATOM 1122 O ASP A 75 -1.280 -6.178 13.994 1.00 0.00 O ATOM 1123 CB ASP A 75 1.428 -5.241 15.651 1.00 0.00 C ATOM 1124 CG ASP A 75 0.432 -5.652 16.714 1.00 0.00 C ATOM 1125 OD1 ASP A 75 0.556 -6.778 17.245 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -0.469 -4.853 17.031 1.00 0.00 O ATOM 0 H ASP A 75 2.700 -4.611 13.649 1.00 0.00 H new ATOM 0 HA ASP A 75 1.135 -6.870 14.281 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.419 -5.596 15.932 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.479 -4.153 15.609 1.00 0.00 H new ATOM 1131 N PHE A 76 -0.492 -4.147 13.415 1.00 0.00 N ATOM 1132 CA PHE A 76 -1.777 -3.612 12.981 1.00 0.00 C ATOM 1133 C PHE A 76 -2.347 -4.409 11.817 1.00 0.00 C ATOM 1134 O PHE A 76 -3.546 -4.688 11.774 1.00 0.00 O ATOM 1135 CB PHE A 76 -1.614 -2.143 12.585 1.00 0.00 C ATOM 1136 CG PHE A 76 -2.815 -1.542 11.916 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -3.994 -1.360 12.611 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -2.753 -1.148 10.593 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.096 -0.794 11.999 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -3.851 -0.586 9.971 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.025 -0.407 10.677 1.00 0.00 C ATOM 0 H PHE A 76 0.281 -3.488 13.324 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.478 -3.691 13.812 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.383 -1.563 13.478 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.758 -2.053 11.916 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.056 -1.664 13.646 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.836 -1.281 10.039 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.011 -0.655 12.555 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.792 -0.287 8.935 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.885 0.035 10.195 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.487 -4.793 10.886 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.931 -5.536 9.716 1.00 0.00 C ATOM 1153 C ALA A 77 -2.368 -6.948 10.093 1.00 0.00 C ATOM 1154 O ALA A 77 -3.290 -7.507 9.496 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.823 -5.594 8.681 1.00 0.00 C ATOM 0 H ALA A 77 -0.485 -4.604 10.917 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.790 -5.016 9.293 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.167 -6.152 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.553 -4.582 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.049 -6.090 9.108 1.00 0.00 H new ATOM 1161 N MET A 78 -1.695 -7.518 11.081 1.00 0.00 N ATOM 1162 CA MET A 78 -2.061 -8.832 11.602 1.00 0.00 C ATOM 1163 C MET A 78 -3.319 -8.726 12.449 1.00 0.00 C ATOM 1164 O MET A 78 -4.054 -9.697 12.625 1.00 0.00 O ATOM 1165 CB MET A 78 -0.928 -9.417 12.451 1.00 0.00 C ATOM 1166 CG MET A 78 0.410 -9.442 11.740 1.00 0.00 C ATOM 1167 SD MET A 78 1.735 -10.131 12.750 1.00 0.00 S ATOM 1168 CE MET A 78 3.149 -9.794 11.704 1.00 0.00 C ATOM 0 H MET A 78 -0.890 -7.092 11.541 1.00 0.00 H new ATOM 0 HA MET A 78 -2.244 -9.492 10.754 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.833 -8.834 13.367 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.193 -10.432 12.746 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.317 -10.027 10.825 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.677 -8.427 11.444 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.033 -9.647 12.324 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.313 -10.636 11.032 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.962 -8.894 11.119 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.564 -7.533 12.965 1.00 0.00 N ATOM 1179 CA LYS A 79 -4.684 -7.296 13.843 1.00 0.00 C ATOM 1180 C LYS A 79 -5.932 -6.989 13.016 1.00 0.00 C ATOM 1181 O LYS A 79 -7.053 -7.045 13.519 1.00 0.00 O ATOM 1182 CB LYS A 79 -4.318 -6.134 14.786 1.00 0.00 C ATOM 1183 CG LYS A 79 -5.049 -6.114 16.111 1.00 0.00 C ATOM 1184 CD LYS A 79 -4.443 -5.048 17.010 1.00 0.00 C ATOM 1185 CE LYS A 79 -5.134 -4.954 18.357 1.00 0.00 C ATOM 1186 NZ LYS A 79 -4.527 -3.893 19.204 1.00 0.00 N ATOM 0 H LYS A 79 -2.991 -6.709 12.784 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.904 -8.179 14.443 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.247 -6.173 14.983 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.513 -5.194 14.269 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.108 -5.911 15.951 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.981 -7.091 16.590 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.386 -5.266 17.163 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.500 -4.081 16.509 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.193 -4.743 18.211 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.068 -5.914 18.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.021 -3.853 20.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.522 -4.108 19.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.613 -2.974 18.724 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.730 -6.676 11.730 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.830 -6.287 10.846 1.00 0.00 C ATOM 1202 C HIS A 80 -6.577 -6.754 9.419 1.00 0.00 C ATOM 1203 O HIS A 80 -5.853 -6.098 8.670 1.00 0.00 O ATOM 1204 CB HIS A 80 -7.030 -4.765 10.842 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.256 -4.182 12.196 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -6.372 -3.739 13.115 1.00 0.00 N flip ATOM 1207 CD2 HIS A 80 -8.501 -4.031 12.760 1.00 0.00 C flip ATOM 1208 CE1 HIS A 80 -7.084 -3.341 14.212 1.00 0.00 C flip ATOM 1209 NE2 HIS A 80 -8.371 -3.526 13.972 1.00 0.00 N flip ATOM 0 H HIS A 80 -4.814 -6.685 11.281 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.730 -6.766 11.230 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.154 -4.294 10.396 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.881 -4.522 10.206 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.437 -4.286 12.286 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.665 -2.942 15.124 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.134 -3.314 14.615 1.00 0.00 H new ATOM 1218 N GLY A 81 -7.142 -7.892 9.051 1.00 0.00 N ATOM 1219 CA GLY A 81 -7.056 -8.342 7.676 1.00 0.00 C ATOM 1220 C GLY A 81 -6.216 -9.587 7.523 1.00 0.00 C ATOM 1221 O GLY A 81 -6.743 -10.675 7.277 1.00 0.00 O ATOM 0 H GLY A 81 -7.657 -8.512 9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.060 -8.537 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.634 -7.546 7.063 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.911 -9.444 7.683 1.00 0.00 N ATOM 1226 CA ALA A 82 -4.013 -10.568 7.502 1.00 0.00 C ATOM 1227 C ALA A 82 -3.912 -11.377 8.779 1.00 0.00 C ATOM 1228 O ALA A 82 -3.876 -10.820 9.872 1.00 0.00 O ATOM 1229 CB ALA A 82 -2.632 -10.104 7.067 1.00 0.00 C ATOM 0 H ALA A 82 -4.454 -8.568 7.936 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.424 -11.199 6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.981 -10.969 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.710 -9.566 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.214 -9.444 7.827 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.881 -12.688 8.641 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.685 -13.546 9.792 1.00 0.00 C ATOM 1237 C ASP A 83 -2.212 -13.654 10.058 1.00 0.00 C ATOM 1238 O ASP A 83 -1.400 -13.283 9.202 1.00 0.00 O ATOM 1239 CB ASP A 83 -4.305 -14.915 9.599 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.377 -15.907 8.954 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -3.283 -15.926 7.706 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -2.753 -16.684 9.695 1.00 0.00 O ATOM 0 H ASP A 83 -3.988 -13.178 7.753 1.00 0.00 H new ATOM 0 HA ASP A 83 -4.189 -13.104 10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.622 -15.302 10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.201 -14.816 8.987 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.845 -14.157 11.218 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.496 -14.040 11.631 1.00 0.00 C ATOM 1249 C GLU A 84 0.391 -14.928 10.791 1.00 0.00 C ATOM 1250 O GLU A 84 1.547 -14.623 10.571 1.00 0.00 O ATOM 1251 CB GLU A 84 -0.367 -14.256 13.151 1.00 0.00 C ATOM 1252 CG GLU A 84 -0.079 -15.660 13.699 1.00 0.00 C ATOM 1253 CD GLU A 84 1.258 -16.251 13.301 1.00 0.00 C ATOM 1254 OE1 GLU A 84 2.297 -15.712 13.728 1.00 0.00 O ATOM 1255 OE2 GLU A 84 1.269 -17.262 12.572 1.00 0.00 O ATOM 0 H GLU A 84 -2.463 -14.640 11.870 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.143 -13.024 11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.426 -13.599 13.507 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.295 -13.912 13.608 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.132 -15.625 14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.869 -16.332 13.363 1.00 0.00 H new ATOM 1262 N THR A 85 -0.185 -15.976 10.249 1.00 0.00 N ATOM 1263 CA THR A 85 0.578 -16.911 9.462 1.00 0.00 C ATOM 1264 C THR A 85 0.905 -16.276 8.102 1.00 0.00 C ATOM 1265 O THR A 85 1.982 -16.487 7.554 1.00 0.00 O ATOM 1266 CB THR A 85 -0.166 -18.263 9.312 1.00 0.00 C ATOM 1267 OG1 THR A 85 0.772 -19.346 9.300 1.00 0.00 O ATOM 1268 CG2 THR A 85 -1.016 -18.318 8.052 1.00 0.00 C ATOM 0 H THR A 85 -1.176 -16.200 10.339 1.00 0.00 H new ATOM 0 HA THR A 85 1.514 -17.135 9.974 1.00 0.00 H new ATOM 0 HB THR A 85 -0.833 -18.356 10.169 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.291 -20.195 9.207 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.517 -19.284 7.993 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.762 -17.524 8.082 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.379 -18.185 7.177 1.00 0.00 H new ATOM 1276 N MET A 86 0.010 -15.406 7.612 1.00 0.00 N ATOM 1277 CA MET A 86 0.179 -14.785 6.315 1.00 0.00 C ATOM 1278 C MET A 86 1.183 -13.656 6.437 1.00 0.00 C ATOM 1279 O MET A 86 2.145 -13.553 5.667 1.00 0.00 O ATOM 1280 CB MET A 86 -1.183 -14.278 5.818 1.00 0.00 C ATOM 1281 CG MET A 86 -1.112 -13.052 4.928 1.00 0.00 C ATOM 1282 SD MET A 86 -0.323 -13.366 3.337 1.00 0.00 S ATOM 1283 CE MET A 86 -1.536 -14.439 2.569 1.00 0.00 C ATOM 0 H MET A 86 -0.837 -15.124 8.106 1.00 0.00 H new ATOM 0 HA MET A 86 0.559 -15.504 5.589 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.677 -15.081 5.270 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.808 -14.049 6.681 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.121 -12.678 4.757 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.564 -12.266 5.448 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.379 -14.452 1.490 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.429 -15.450 2.963 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.538 -14.069 2.786 1.00 0.00 H new ATOM 1293 N ALA A 87 0.968 -12.840 7.448 1.00 0.00 N ATOM 1294 CA ALA A 87 1.869 -11.760 7.762 1.00 0.00 C ATOM 1295 C ALA A 87 3.266 -12.298 8.041 1.00 0.00 C ATOM 1296 O ALA A 87 4.252 -11.694 7.650 1.00 0.00 O ATOM 1297 CB ALA A 87 1.337 -11.007 8.957 1.00 0.00 C ATOM 0 H ALA A 87 0.164 -12.910 8.072 1.00 0.00 H new ATOM 0 HA ALA A 87 1.937 -11.082 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.013 -10.188 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.350 -10.606 8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.263 -11.683 9.809 1.00 0.00 H new ATOM 1303 N GLN A 88 3.326 -13.460 8.682 1.00 0.00 N ATOM 1304 CA GLN A 88 4.587 -14.083 9.074 1.00 0.00 C ATOM 1305 C GLN A 88 5.342 -14.641 7.875 1.00 0.00 C ATOM 1306 O GLN A 88 6.565 -14.768 7.906 1.00 0.00 O ATOM 1307 CB GLN A 88 4.321 -15.193 10.081 1.00 0.00 C ATOM 1308 CG GLN A 88 4.686 -14.837 11.518 1.00 0.00 C ATOM 1309 CD GLN A 88 4.192 -13.464 11.949 1.00 0.00 C ATOM 1310 OE1 GLN A 88 4.906 -12.472 11.820 1.00 0.00 O ATOM 1311 NE2 GLN A 88 2.973 -13.385 12.463 1.00 0.00 N ATOM 0 H GLN A 88 2.501 -13.998 8.945 1.00 0.00 H new ATOM 0 HA GLN A 88 5.211 -13.313 9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.264 -15.458 10.042 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.883 -16.079 9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.270 -15.590 12.187 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.770 -14.876 11.629 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.404 -14.226 12.557 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.604 -12.483 12.764 1.00 0.00 H new ATOM 1320 N GLN A 89 4.618 -14.973 6.823 1.00 0.00 N ATOM 1321 CA GLN A 89 5.260 -15.395 5.582 1.00 0.00 C ATOM 1322 C GLN A 89 5.782 -14.165 4.844 1.00 0.00 C ATOM 1323 O GLN A 89 6.741 -14.250 4.077 1.00 0.00 O ATOM 1324 CB GLN A 89 4.302 -16.191 4.669 1.00 0.00 C ATOM 1325 CG GLN A 89 3.559 -17.322 5.364 1.00 0.00 C ATOM 1326 CD GLN A 89 4.425 -18.516 5.705 1.00 0.00 C ATOM 1327 OE1 GLN A 89 5.635 -18.400 5.906 1.00 0.00 O ATOM 1328 NE2 GLN A 89 3.792 -19.673 5.813 1.00 0.00 N ATOM 0 H GLN A 89 3.598 -14.961 6.797 1.00 0.00 H new ATOM 0 HA GLN A 89 6.084 -16.060 5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.572 -15.503 4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.873 -16.606 3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.111 -16.938 6.281 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.741 -17.652 4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.788 -19.724 5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.308 -20.514 6.072 1.00 0.00 H new ATOM 1337 N LEU A 90 5.163 -13.015 5.105 1.00 0.00 N ATOM 1338 CA LEU A 90 5.544 -11.778 4.439 1.00 0.00 C ATOM 1339 C LEU A 90 6.667 -11.069 5.205 1.00 0.00 C ATOM 1340 O LEU A 90 7.636 -10.597 4.607 1.00 0.00 O ATOM 1341 CB LEU A 90 4.314 -10.868 4.308 1.00 0.00 C ATOM 1342 CG LEU A 90 4.255 -10.010 3.038 1.00 0.00 C ATOM 1343 CD1 LEU A 90 2.882 -9.373 2.896 1.00 0.00 C ATOM 1344 CD2 LEU A 90 5.330 -8.936 3.054 1.00 0.00 C ATOM 0 H LEU A 90 4.397 -12.917 5.772 1.00 0.00 H new ATOM 0 HA LEU A 90 5.921 -12.012 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.419 -11.489 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.280 -10.206 5.174 1.00 0.00 H new ATOM 0 HG LEU A 90 4.436 -10.660 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.854 -8.767 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.124 -10.153 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.683 -8.741 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.265 -8.343 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.185 -8.289 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.312 -9.405 3.112 1.00 0.00 H new ATOM 1356 N VAL A 91 6.539 -11.018 6.534 1.00 0.00 N ATOM 1357 CA VAL A 91 7.497 -10.306 7.384 1.00 0.00 C ATOM 1358 C VAL A 91 8.904 -10.872 7.269 1.00 0.00 C ATOM 1359 O VAL A 91 9.885 -10.150 7.451 1.00 0.00 O ATOM 1360 CB VAL A 91 7.089 -10.308 8.875 1.00 0.00 C ATOM 1361 CG1 VAL A 91 5.951 -9.329 9.123 1.00 0.00 C ATOM 1362 CG2 VAL A 91 6.693 -11.694 9.356 1.00 0.00 C ATOM 0 H VAL A 91 5.778 -11.464 7.046 1.00 0.00 H new ATOM 0 HA VAL A 91 7.488 -9.280 7.015 1.00 0.00 H new ATOM 0 HB VAL A 91 7.964 -9.994 9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.680 -9.346 10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.269 -8.324 8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.088 -9.615 8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.414 -11.648 10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.846 -12.054 8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.534 -12.376 9.233 1.00 0.00 H new ATOM 1372 N ASP A 92 9.001 -12.150 6.951 1.00 0.00 N ATOM 1373 CA ASP A 92 10.290 -12.806 6.833 1.00 0.00 C ATOM 1374 C ASP A 92 11.058 -12.229 5.651 1.00 0.00 C ATOM 1375 O ASP A 92 12.261 -11.954 5.735 1.00 0.00 O ATOM 1376 CB ASP A 92 10.102 -14.315 6.683 1.00 0.00 C ATOM 1377 CG ASP A 92 11.380 -15.017 6.271 1.00 0.00 C ATOM 1378 OD1 ASP A 92 12.317 -15.080 7.097 1.00 0.00 O ATOM 1379 OD2 ASP A 92 11.451 -15.515 5.128 1.00 0.00 O ATOM 0 H ASP A 92 8.200 -12.755 6.769 1.00 0.00 H new ATOM 0 HA ASP A 92 10.869 -12.627 7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.750 -14.730 7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.328 -14.510 5.941 1.00 0.00 H new ATOM 1384 N ILE A 93 10.335 -12.001 4.564 1.00 0.00 N ATOM 1385 CA ILE A 93 10.899 -11.376 3.382 1.00 0.00 C ATOM 1386 C ILE A 93 11.279 -9.934 3.683 1.00 0.00 C ATOM 1387 O ILE A 93 12.327 -9.452 3.244 1.00 0.00 O ATOM 1388 CB ILE A 93 9.906 -11.426 2.193 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.063 -12.735 1.420 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.103 -10.243 1.262 1.00 0.00 C ATOM 1391 CD1 ILE A 93 9.741 -13.980 2.224 1.00 0.00 C ATOM 0 H ILE A 93 9.348 -12.243 4.479 1.00 0.00 H new ATOM 0 HA ILE A 93 11.793 -11.932 3.101 1.00 0.00 H new ATOM 0 HB ILE A 93 8.896 -11.374 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.415 -12.705 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.088 -12.807 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.392 -10.306 0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.940 -9.316 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.119 -10.256 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.879 -14.862 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.406 -14.039 3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.707 -13.935 2.566 1.00 0.00 H new ATOM 1403 N ILE A 94 10.432 -9.262 4.457 1.00 0.00 N ATOM 1404 CA ILE A 94 10.667 -7.871 4.812 1.00 0.00 C ATOM 1405 C ILE A 94 12.003 -7.730 5.515 1.00 0.00 C ATOM 1406 O ILE A 94 12.817 -6.886 5.161 1.00 0.00 O ATOM 1407 CB ILE A 94 9.566 -7.313 5.734 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.195 -7.471 5.080 1.00 0.00 C ATOM 1409 CG2 ILE A 94 9.838 -5.851 6.060 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.065 -6.904 5.907 1.00 0.00 C ATOM 0 H ILE A 94 9.578 -9.660 4.849 1.00 0.00 H new ATOM 0 HA ILE A 94 10.661 -7.302 3.883 1.00 0.00 H new ATOM 0 HB ILE A 94 9.571 -7.880 6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.206 -6.979 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.007 -8.529 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.051 -5.471 6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.801 -5.764 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.857 -5.270 5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.121 -7.051 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.028 -7.413 6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.230 -5.838 6.066 1.00 0.00 H new ATOM 1422 N HIS A 95 12.242 -8.598 6.481 1.00 0.00 N ATOM 1423 CA HIS A 95 13.450 -8.504 7.287 1.00 0.00 C ATOM 1424 C HIS A 95 14.677 -8.862 6.456 1.00 0.00 C ATOM 1425 O HIS A 95 15.734 -8.240 6.589 1.00 0.00 O ATOM 1426 CB HIS A 95 13.374 -9.421 8.518 1.00 0.00 C ATOM 1427 CG HIS A 95 12.168 -9.198 9.379 1.00 0.00 C ATOM 1428 ND1 HIS A 95 11.644 -10.174 10.201 1.00 0.00 N ATOM 1429 CD2 HIS A 95 11.384 -8.106 9.551 1.00 0.00 C ATOM 1430 CE1 HIS A 95 10.592 -9.693 10.837 1.00 0.00 C ATOM 1431 NE2 HIS A 95 10.415 -8.442 10.462 1.00 0.00 N ATOM 0 H HIS A 95 11.623 -9.370 6.727 1.00 0.00 H new ATOM 0 HA HIS A 95 13.536 -7.473 7.630 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.381 -10.459 8.185 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.269 -9.274 9.122 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.500 -7.150 9.062 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.980 -10.233 11.545 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.676 -7.823 10.796 1.00 0.00 H new ATOM 1440 N GLY A 96 14.514 -9.804 5.539 1.00 0.00 N ATOM 1441 CA GLY A 96 15.655 -10.314 4.815 1.00 0.00 C ATOM 1442 C GLY A 96 16.046 -9.430 3.655 1.00 0.00 C ATOM 1443 O GLY A 96 17.200 -9.013 3.548 1.00 0.00 O ATOM 0 H GLY A 96 13.618 -10.221 5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.501 -10.409 5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.429 -11.314 4.445 1.00 0.00 H new ATOM 1447 N CYS A 97 15.094 -9.124 2.788 1.00 0.00 N ATOM 1448 CA CYS A 97 15.392 -8.311 1.631 1.00 0.00 C ATOM 1449 C CYS A 97 15.634 -6.845 1.990 1.00 0.00 C ATOM 1450 O CYS A 97 16.433 -6.198 1.331 1.00 0.00 O ATOM 1451 CB CYS A 97 14.332 -8.456 0.536 1.00 0.00 C ATOM 1452 SG CYS A 97 14.591 -9.928 -0.522 1.00 0.00 S ATOM 0 H CYS A 97 14.122 -9.424 2.865 1.00 0.00 H new ATOM 0 HA CYS A 97 16.329 -8.693 1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.347 -8.517 0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.337 -7.562 -0.088 1.00 0.00 H new ATOM 1457 N GLU A 98 14.974 -6.310 3.025 1.00 0.00 N ATOM 1458 CA GLU A 98 15.285 -4.949 3.474 1.00 0.00 C ATOM 1459 C GLU A 98 16.691 -4.900 4.066 1.00 0.00 C ATOM 1460 O GLU A 98 17.401 -3.903 3.918 1.00 0.00 O ATOM 1461 CB GLU A 98 14.269 -4.447 4.503 1.00 0.00 C ATOM 1462 CG GLU A 98 14.460 -2.988 4.890 1.00 0.00 C ATOM 1463 CD GLU A 98 13.474 -2.532 5.947 1.00 0.00 C ATOM 1464 OE1 GLU A 98 13.512 -3.071 7.073 1.00 0.00 O ATOM 1465 OE2 GLU A 98 12.657 -1.632 5.661 1.00 0.00 O ATOM 0 H GLU A 98 14.242 -6.783 3.554 1.00 0.00 H new ATOM 0 HA GLU A 98 15.233 -4.294 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.264 -4.579 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.338 -5.063 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.475 -2.844 5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.351 -2.363 4.003 1.00 0.00 H new ATOM 1472 N LYS A 99 17.094 -5.982 4.729 1.00 0.00 N ATOM 1473 CA LYS A 99 18.443 -6.081 5.266 1.00 0.00 C ATOM 1474 C LYS A 99 19.481 -6.066 4.142 1.00 0.00 C ATOM 1475 O LYS A 99 20.515 -5.406 4.252 1.00 0.00 O ATOM 1476 CB LYS A 99 18.573 -7.359 6.096 1.00 0.00 C ATOM 1477 CG LYS A 99 19.985 -7.666 6.562 1.00 0.00 C ATOM 1478 CD LYS A 99 20.012 -8.877 7.477 1.00 0.00 C ATOM 1479 CE LYS A 99 19.448 -10.112 6.791 1.00 0.00 C ATOM 1480 NZ LYS A 99 19.340 -11.260 7.724 1.00 0.00 N ATOM 0 H LYS A 99 16.507 -6.797 4.905 1.00 0.00 H new ATOM 0 HA LYS A 99 18.629 -5.218 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.925 -7.278 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.208 -8.199 5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.625 -7.846 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.393 -6.802 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 99 21.037 -9.072 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.436 -8.666 8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.464 -9.883 6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.087 -10.385 5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.952 -12.082 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.282 -11.495 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.710 -11.009 8.512 1.00 0.00 H new ATOM 1494 N SER A 100 19.188 -6.772 3.057 1.00 0.00 N ATOM 1495 CA SER A 100 20.117 -6.875 1.936 1.00 0.00 C ATOM 1496 C SER A 100 19.697 -5.979 0.768 1.00 0.00 C ATOM 1497 O SER A 100 20.145 -6.171 -0.364 1.00 0.00 O ATOM 1498 CB SER A 100 20.201 -8.332 1.474 1.00 0.00 C ATOM 1499 OG SER A 100 20.609 -9.175 2.541 1.00 0.00 O ATOM 0 H SER A 100 18.314 -7.282 2.928 1.00 0.00 H new ATOM 0 HA SER A 100 21.096 -6.537 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.230 -8.656 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.906 -8.416 0.647 1.00 0.00 H new ATOM 0 HG SER A 100 20.655 -10.102 2.226 1.00 0.00 H new ATOM 1505 N ALA A 101 18.862 -4.989 1.051 1.00 0.00 N ATOM 1506 CA ALA A 101 18.362 -4.085 0.020 1.00 0.00 C ATOM 1507 C ALA A 101 19.427 -3.070 -0.376 1.00 0.00 C ATOM 1508 O ALA A 101 20.344 -2.795 0.402 1.00 0.00 O ATOM 1509 CB ALA A 101 17.108 -3.368 0.505 1.00 0.00 C ATOM 0 H ALA A 101 18.514 -4.790 1.989 1.00 0.00 H new ATOM 0 HA ALA A 101 18.111 -4.679 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.747 -2.698 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.336 -4.102 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.342 -2.791 1.400 1.00 0.00 H new ATOM 1515 N PRO A 102 19.332 -2.520 -1.600 1.00 0.00 N ATOM 1516 CA PRO A 102 20.220 -1.451 -2.057 1.00 0.00 C ATOM 1517 C PRO A 102 20.330 -0.333 -1.027 1.00 0.00 C ATOM 1518 O PRO A 102 19.326 0.091 -0.453 1.00 0.00 O ATOM 1519 CB PRO A 102 19.535 -0.939 -3.323 1.00 0.00 C ATOM 1520 CG PRO A 102 18.771 -2.107 -3.841 1.00 0.00 C ATOM 1521 CD PRO A 102 18.353 -2.905 -2.634 1.00 0.00 C ATOM 0 HA PRO A 102 21.239 -1.801 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 102 18.875 -0.100 -3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 102 20.264 -0.588 -4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 102 17.902 -1.781 -4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.386 -2.708 -4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.334 -2.665 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.382 -3.976 -2.833 1.00 0.00 H new ATOM 1529 N PRO A 103 21.554 0.152 -0.780 1.00 0.00 N ATOM 1530 CA PRO A 103 21.837 1.174 0.243 1.00 0.00 C ATOM 1531 C PRO A 103 21.303 2.564 -0.118 1.00 0.00 C ATOM 1532 O PRO A 103 22.023 3.562 -0.038 1.00 0.00 O ATOM 1533 CB PRO A 103 23.371 1.195 0.314 1.00 0.00 C ATOM 1534 CG PRO A 103 23.819 -0.027 -0.414 1.00 0.00 C ATOM 1535 CD PRO A 103 22.781 -0.277 -1.460 1.00 0.00 C ATOM 0 HA PRO A 103 21.348 0.931 1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.773 2.097 -0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.716 1.185 1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 103 24.800 0.123 -0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 103 23.905 -0.877 0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 103 22.968 0.299 -2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 103 22.740 -1.326 -1.752 1.00 0.00 H new ATOM 1543 N ASN A 104 20.041 2.617 -0.512 1.00 0.00 N ATOM 1544 CA ASN A 104 19.353 3.874 -0.761 1.00 0.00 C ATOM 1545 C ASN A 104 18.087 3.893 0.079 1.00 0.00 C ATOM 1546 O ASN A 104 17.056 3.345 -0.321 1.00 0.00 O ATOM 1547 CB ASN A 104 19.004 4.042 -2.248 1.00 0.00 C ATOM 1548 CG ASN A 104 20.205 3.882 -3.159 1.00 0.00 C ATOM 1549 OD1 ASN A 104 20.928 4.839 -3.439 1.00 0.00 O ATOM 1550 ND2 ASN A 104 20.416 2.670 -3.648 1.00 0.00 N ATOM 0 H ASN A 104 19.465 1.790 -0.668 1.00 0.00 H new ATOM 0 HA ASN A 104 20.008 4.702 -0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 104 18.246 3.309 -2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 104 18.565 5.028 -2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 104 21.199 2.504 -4.280 1.00 0.00 H new ATOM 0 HD22 ASN A 104 19.795 1.902 -3.393 1.00 0.00 H new ATOM 1557 N ASP A 105 18.177 4.485 1.258 1.00 0.00 N ATOM 1558 CA ASP A 105 17.095 4.407 2.228 1.00 0.00 C ATOM 1559 C ASP A 105 16.004 5.418 1.913 1.00 0.00 C ATOM 1560 O ASP A 105 16.010 6.539 2.425 1.00 0.00 O ATOM 1561 CB ASP A 105 17.623 4.625 3.646 1.00 0.00 C ATOM 1562 CG ASP A 105 16.824 3.855 4.680 1.00 0.00 C ATOM 1563 OD1 ASP A 105 15.661 4.221 4.948 1.00 0.00 O ATOM 1564 OD2 ASP A 105 17.360 2.874 5.235 1.00 0.00 O ATOM 0 H ASP A 105 18.986 5.024 1.567 1.00 0.00 H new ATOM 0 HA ASP A 105 16.664 3.408 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.668 4.318 3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 105 17.592 5.688 3.884 1.00 0.00 H new ATOM 1569 N ASP A 106 15.097 5.030 1.034 1.00 0.00 N ATOM 1570 CA ASP A 106 13.951 5.860 0.699 1.00 0.00 C ATOM 1571 C ASP A 106 12.693 5.268 1.320 1.00 0.00 C ATOM 1572 O ASP A 106 12.470 4.058 1.229 1.00 0.00 O ATOM 1573 CB ASP A 106 13.801 5.984 -0.821 1.00 0.00 C ATOM 1574 CG ASP A 106 12.602 6.820 -1.234 1.00 0.00 C ATOM 1575 OD1 ASP A 106 12.757 8.052 -1.385 1.00 0.00 O ATOM 1576 OD2 ASP A 106 11.509 6.252 -1.430 1.00 0.00 O ATOM 0 H ASP A 106 15.132 4.140 0.536 1.00 0.00 H new ATOM 0 HA ASP A 106 14.106 6.861 1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.706 6.428 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.708 4.988 -1.254 1.00 0.00 H new ATOM 1581 N LYS A 107 11.904 6.142 1.953 1.00 0.00 N ATOM 1582 CA LYS A 107 10.693 5.775 2.710 1.00 0.00 C ATOM 1583 C LYS A 107 9.985 4.523 2.173 1.00 0.00 C ATOM 1584 O LYS A 107 10.077 3.453 2.775 1.00 0.00 O ATOM 1585 CB LYS A 107 9.717 6.958 2.727 1.00 0.00 C ATOM 1586 CG LYS A 107 8.472 6.725 3.575 1.00 0.00 C ATOM 1587 CD LYS A 107 8.791 6.733 5.062 1.00 0.00 C ATOM 1588 CE LYS A 107 9.234 8.112 5.535 1.00 0.00 C ATOM 1589 NZ LYS A 107 8.163 9.131 5.375 1.00 0.00 N ATOM 0 H LYS A 107 12.089 7.145 1.956 1.00 0.00 H new ATOM 0 HA LYS A 107 11.021 5.532 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.238 7.840 3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 107 9.411 7.178 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.734 7.498 3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.022 5.770 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.911 6.420 5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.577 6.007 5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.528 8.058 6.583 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.115 8.422 4.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.403 9.977 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.076 9.388 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.260 8.741 5.712 1.00 0.00 H new ATOM 1603 N CYS A 108 9.280 4.644 1.055 1.00 0.00 N ATOM 1604 CA CYS A 108 8.539 3.511 0.519 1.00 0.00 C ATOM 1605 C CYS A 108 9.382 2.654 -0.425 1.00 0.00 C ATOM 1606 O CYS A 108 8.969 1.558 -0.788 1.00 0.00 O ATOM 1607 CB CYS A 108 7.279 3.977 -0.214 1.00 0.00 C ATOM 1608 SG CYS A 108 5.964 4.664 0.863 1.00 0.00 S ATOM 0 H CYS A 108 9.206 5.502 0.509 1.00 0.00 H new ATOM 0 HA CYS A 108 8.260 2.897 1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.562 4.735 -0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 108 6.868 3.135 -0.771 1.00 0.00 H new ATOM 1613 N MET A 109 10.566 3.126 -0.809 1.00 0.00 N ATOM 1614 CA MET A 109 11.358 2.427 -1.815 1.00 0.00 C ATOM 1615 C MET A 109 11.887 1.115 -1.253 1.00 0.00 C ATOM 1616 O MET A 109 11.868 0.080 -1.917 1.00 0.00 O ATOM 1617 CB MET A 109 12.521 3.297 -2.282 1.00 0.00 C ATOM 1618 CG MET A 109 12.735 3.271 -3.783 1.00 0.00 C ATOM 1619 SD MET A 109 13.203 1.644 -4.406 1.00 0.00 S ATOM 1620 CE MET A 109 13.244 1.953 -6.168 1.00 0.00 C ATOM 0 H MET A 109 10.993 3.978 -0.444 1.00 0.00 H new ATOM 0 HA MET A 109 10.715 2.214 -2.669 1.00 0.00 H new ATOM 0 HB2 MET A 109 12.344 4.325 -1.967 1.00 0.00 H new ATOM 0 HB3 MET A 109 13.434 2.965 -1.788 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.820 3.594 -4.280 1.00 0.00 H new ATOM 0 HG3 MET A 109 13.511 3.990 -4.045 1.00 0.00 H new ATOM 0 HE1 MET A 109 13.519 1.038 -6.692 1.00 0.00 H new ATOM 0 HE2 MET A 109 12.260 2.281 -6.503 1.00 0.00 H new ATOM 0 HE3 MET A 109 13.978 2.729 -6.384 1.00 0.00 H new ATOM 1630 N LYS A 110 12.326 1.166 -0.008 1.00 0.00 N ATOM 1631 CA LYS A 110 12.894 -0.002 0.659 1.00 0.00 C ATOM 1632 C LYS A 110 11.829 -1.084 0.836 1.00 0.00 C ATOM 1633 O LYS A 110 12.020 -2.248 0.477 1.00 0.00 O ATOM 1634 CB LYS A 110 13.450 0.425 2.023 1.00 0.00 C ATOM 1635 CG LYS A 110 12.424 1.139 2.894 1.00 0.00 C ATOM 1636 CD LYS A 110 13.053 1.878 4.058 1.00 0.00 C ATOM 1637 CE LYS A 110 14.033 1.007 4.828 1.00 0.00 C ATOM 1638 NZ LYS A 110 14.758 1.776 5.871 1.00 0.00 N ATOM 0 H LYS A 110 12.302 2.007 0.568 1.00 0.00 H new ATOM 0 HA LYS A 110 13.698 -0.414 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 110 13.815 -0.456 2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.306 1.082 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.863 1.845 2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.709 0.410 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 110 13.570 2.763 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.270 2.225 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 110 13.496 0.181 5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 110 14.751 0.569 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 15.740 1.440 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 14.752 2.786 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 14.290 1.641 6.790 1.00 0.00 H new ATOM 1652 N THR A 111 10.709 -0.666 1.392 1.00 0.00 N ATOM 1653 CA THR A 111 9.533 -1.489 1.539 1.00 0.00 C ATOM 1654 C THR A 111 8.992 -1.997 0.185 1.00 0.00 C ATOM 1655 O THR A 111 8.205 -2.947 0.140 1.00 0.00 O ATOM 1656 CB THR A 111 8.474 -0.701 2.356 1.00 0.00 C ATOM 1657 OG1 THR A 111 8.187 -1.404 3.572 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.168 -0.453 1.592 1.00 0.00 C ATOM 0 H THR A 111 10.593 0.278 1.761 1.00 0.00 H new ATOM 0 HA THR A 111 9.796 -2.394 2.086 1.00 0.00 H new ATOM 0 HB THR A 111 8.907 0.278 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.520 -0.905 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.476 0.102 2.225 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.377 0.123 0.691 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.721 -1.408 1.316 1.00 0.00 H new ATOM 1666 N ILE A 112 9.452 -1.412 -0.922 1.00 0.00 N ATOM 1667 CA ILE A 112 9.025 -1.862 -2.234 1.00 0.00 C ATOM 1668 C ILE A 112 9.936 -2.989 -2.698 1.00 0.00 C ATOM 1669 O ILE A 112 9.491 -3.958 -3.321 1.00 0.00 O ATOM 1670 CB ILE A 112 9.003 -0.693 -3.249 1.00 0.00 C ATOM 1671 CG1 ILE A 112 7.562 -0.353 -3.631 1.00 0.00 C ATOM 1672 CG2 ILE A 112 9.834 -0.983 -4.495 1.00 0.00 C ATOM 1673 CD1 ILE A 112 6.754 0.198 -2.478 1.00 0.00 C ATOM 0 H ILE A 112 10.113 -0.635 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 112 8.004 -2.239 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 112 9.459 0.167 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.570 0.376 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.073 -1.249 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.783 -0.131 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.871 -1.158 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.442 -1.868 -4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.741 0.419 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.716 -0.538 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.221 1.112 -2.110 1.00 0.00 H new ATOM 1685 N ASP A 113 11.213 -2.866 -2.351 1.00 0.00 N ATOM 1686 CA ASP A 113 12.194 -3.892 -2.651 1.00 0.00 C ATOM 1687 C ASP A 113 11.848 -5.188 -1.920 1.00 0.00 C ATOM 1688 O ASP A 113 12.029 -6.277 -2.462 1.00 0.00 O ATOM 1689 CB ASP A 113 13.600 -3.413 -2.277 1.00 0.00 C ATOM 1690 CG ASP A 113 14.691 -4.319 -2.816 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.914 -5.401 -2.238 1.00 0.00 O ATOM 1692 OD2 ASP A 113 15.332 -3.946 -3.821 1.00 0.00 O ATOM 0 H ASP A 113 11.591 -2.057 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 113 12.176 -4.090 -3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.749 -2.404 -2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 113 13.683 -3.357 -1.192 1.00 0.00 H new ATOM 1697 N VAL A 114 11.304 -5.075 -0.704 1.00 0.00 N ATOM 1698 CA VAL A 114 10.900 -6.262 0.035 1.00 0.00 C ATOM 1699 C VAL A 114 9.592 -6.808 -0.530 1.00 0.00 C ATOM 1700 O VAL A 114 9.400 -8.017 -0.628 1.00 0.00 O ATOM 1701 CB VAL A 114 10.750 -6.029 1.552 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.098 -5.801 2.194 1.00 0.00 C ATOM 1703 CG2 VAL A 114 9.852 -4.866 1.842 1.00 0.00 C ATOM 0 H VAL A 114 11.138 -4.191 -0.224 1.00 0.00 H new ATOM 0 HA VAL A 114 11.705 -6.986 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 114 10.299 -6.927 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.969 -5.639 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.730 -6.674 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.570 -4.925 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.769 -4.731 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.269 -3.964 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.864 -5.056 1.423 1.00 0.00 H new ATOM 1713 N ALA A 115 8.700 -5.910 -0.932 1.00 0.00 N ATOM 1714 CA ALA A 115 7.443 -6.315 -1.542 1.00 0.00 C ATOM 1715 C ALA A 115 7.678 -7.117 -2.822 1.00 0.00 C ATOM 1716 O ALA A 115 7.132 -8.222 -3.003 1.00 0.00 O ATOM 1717 CB ALA A 115 6.601 -5.090 -1.816 1.00 0.00 C ATOM 0 H ALA A 115 8.825 -4.901 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 115 6.911 -6.967 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.658 -5.391 -2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.400 -4.570 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.136 -4.425 -2.493 1.00 0.00 H new ATOM 1723 N MET A 116 8.527 -6.589 -3.703 1.00 0.00 N ATOM 1724 CA MET A 116 8.837 -7.309 -4.932 1.00 0.00 C ATOM 1725 C MET A 116 9.659 -8.566 -4.619 1.00 0.00 C ATOM 1726 O MET A 116 9.697 -9.508 -5.407 1.00 0.00 O ATOM 1727 CB MET A 116 9.513 -6.426 -6.011 1.00 0.00 C ATOM 1728 CG MET A 116 10.869 -5.813 -5.664 1.00 0.00 C ATOM 1729 SD MET A 116 11.645 -5.043 -7.095 1.00 0.00 S ATOM 1730 CE MET A 116 13.163 -4.433 -6.365 1.00 0.00 C ATOM 0 H MET A 116 8.999 -5.692 -3.593 1.00 0.00 H new ATOM 0 HA MET A 116 7.887 -7.615 -5.371 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.635 -7.028 -6.912 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.829 -5.614 -6.260 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.741 -5.070 -4.877 1.00 0.00 H new ATOM 0 HG3 MET A 116 11.526 -6.587 -5.267 1.00 0.00 H new ATOM 0 HE1 MET A 116 13.904 -4.272 -7.148 1.00 0.00 H new ATOM 0 HE2 MET A 116 12.967 -3.492 -5.851 1.00 0.00 H new ATOM 0 HE3 MET A 116 13.543 -5.164 -5.651 1.00 0.00 H new ATOM 1740 N CYS A 117 10.244 -8.594 -3.424 1.00 0.00 N ATOM 1741 CA CYS A 117 11.015 -9.737 -2.941 1.00 0.00 C ATOM 1742 C CYS A 117 10.076 -10.874 -2.573 1.00 0.00 C ATOM 1743 O CYS A 117 10.408 -12.051 -2.719 1.00 0.00 O ATOM 1744 CB CYS A 117 11.863 -9.314 -1.740 1.00 0.00 C ATOM 1745 SG CYS A 117 12.736 -10.672 -0.894 1.00 0.00 S ATOM 0 H CYS A 117 10.196 -7.821 -2.760 1.00 0.00 H new ATOM 0 HA CYS A 117 11.683 -10.088 -3.728 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.599 -8.582 -2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.218 -8.812 -1.019 1.00 0.00 H new ATOM 1750 N PHE A 118 8.879 -10.507 -2.151 1.00 0.00 N ATOM 1751 CA PHE A 118 7.900 -11.473 -1.709 1.00 0.00 C ATOM 1752 C PHE A 118 7.244 -12.158 -2.905 1.00 0.00 C ATOM 1753 O PHE A 118 7.064 -13.378 -2.895 1.00 0.00 O ATOM 1754 CB PHE A 118 6.862 -10.800 -0.796 1.00 0.00 C ATOM 1755 CG PHE A 118 5.826 -11.734 -0.235 1.00 0.00 C ATOM 1756 CD1 PHE A 118 6.149 -12.614 0.788 1.00 0.00 C ATOM 1757 CD2 PHE A 118 4.528 -11.726 -0.721 1.00 0.00 C ATOM 1758 CE1 PHE A 118 5.198 -13.467 1.310 1.00 0.00 C ATOM 1759 CE2 PHE A 118 3.574 -12.576 -0.198 1.00 0.00 C ATOM 1760 CZ PHE A 118 3.909 -13.448 0.818 1.00 0.00 C ATOM 0 H PHE A 118 8.564 -9.538 -2.107 1.00 0.00 H new ATOM 0 HA PHE A 118 8.402 -12.246 -1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 118 7.383 -10.317 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 118 6.358 -10.014 -1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.155 -12.632 1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.260 -11.048 -1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 118 5.463 -14.150 2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 118 2.565 -12.559 -0.584 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.164 -14.114 1.227 1.00 0.00 H new ATOM 1770 N LYS A 119 6.887 -11.397 -3.946 1.00 0.00 N ATOM 1771 CA LYS A 119 6.324 -12.033 -5.141 1.00 0.00 C ATOM 1772 C LYS A 119 7.405 -12.832 -5.901 1.00 0.00 C ATOM 1773 O LYS A 119 7.081 -13.779 -6.622 1.00 0.00 O ATOM 1774 CB LYS A 119 5.535 -11.030 -6.026 1.00 0.00 C ATOM 1775 CG LYS A 119 4.749 -11.649 -7.170 1.00 0.00 C ATOM 1776 CD LYS A 119 5.601 -11.853 -8.416 1.00 0.00 C ATOM 1777 CE LYS A 119 6.220 -10.552 -8.902 1.00 0.00 C ATOM 1778 NZ LYS A 119 6.797 -10.698 -10.265 1.00 0.00 N ATOM 0 H LYS A 119 6.973 -10.381 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 119 5.578 -12.761 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.844 -10.476 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.237 -10.306 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.342 -12.608 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.901 -11.008 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.391 -12.572 -8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.987 -12.281 -9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.463 -9.768 -8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 119 6.999 -10.237 -8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.010 -9.757 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.672 -11.258 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.113 -11.181 -10.882 1.00 0.00 H new ATOM 1792 N LYS A 120 8.694 -12.494 -5.728 1.00 0.00 N ATOM 1793 CA LYS A 120 9.753 -13.344 -6.247 1.00 0.00 C ATOM 1794 C LYS A 120 9.699 -14.715 -5.580 1.00 0.00 C ATOM 1795 O LYS A 120 9.735 -15.749 -6.249 1.00 0.00 O ATOM 1796 CB LYS A 120 11.098 -12.698 -6.018 1.00 0.00 C ATOM 1797 CG LYS A 120 11.871 -12.526 -7.306 1.00 0.00 C ATOM 1798 CD LYS A 120 12.783 -11.338 -7.209 1.00 0.00 C ATOM 1799 CE LYS A 120 11.992 -10.046 -7.091 1.00 0.00 C ATOM 1800 NZ LYS A 120 12.882 -8.855 -7.015 1.00 0.00 N ATOM 0 H LYS A 120 9.013 -11.655 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 120 9.609 -13.473 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.957 -11.725 -5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.679 -13.307 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.453 -13.424 -7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.180 -12.396 -8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.437 -11.448 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.424 -11.296 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.327 -9.948 -7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.362 -10.086 -6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.304 -7.994 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.500 -8.936 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.465 -8.802 -7.874 1.00 0.00 H new ATOM 1814 N GLU A 121 9.599 -14.705 -4.255 1.00 0.00 N ATOM 1815 CA GLU A 121 9.462 -15.939 -3.483 1.00 0.00 C ATOM 1816 C GLU A 121 8.225 -16.761 -3.863 1.00 0.00 C ATOM 1817 O GLU A 121 8.331 -17.979 -3.998 1.00 0.00 O ATOM 1818 CB GLU A 121 9.439 -15.641 -1.988 1.00 0.00 C ATOM 1819 CG GLU A 121 10.793 -15.252 -1.433 1.00 0.00 C ATOM 1820 CD GLU A 121 11.855 -16.300 -1.697 1.00 0.00 C ATOM 1821 OE1 GLU A 121 11.924 -17.282 -0.931 1.00 0.00 O ATOM 1822 OE2 GLU A 121 12.628 -16.141 -2.665 1.00 0.00 O ATOM 0 H GLU A 121 9.610 -13.855 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 121 10.336 -16.543 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.731 -14.835 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.075 -16.519 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.104 -14.306 -1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.708 -15.089 -0.359 1.00 0.00 H new ATOM 1829 N ILE A 122 7.054 -16.130 -4.019 1.00 0.00 N ATOM 1830 CA ILE A 122 5.858 -16.864 -4.404 1.00 0.00 C ATOM 1831 C ILE A 122 6.065 -17.567 -5.739 1.00 0.00 C ATOM 1832 O ILE A 122 5.539 -18.655 -5.968 1.00 0.00 O ATOM 1833 CB ILE A 122 4.607 -15.965 -4.457 1.00 0.00 C ATOM 1834 CG1 ILE A 122 3.343 -16.819 -4.441 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.603 -15.084 -5.676 1.00 0.00 C ATOM 1836 CD1 ILE A 122 2.057 -16.020 -4.439 1.00 0.00 C ATOM 0 H ILE A 122 6.917 -15.128 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 122 5.683 -17.612 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 122 4.630 -15.324 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.349 -17.475 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.361 -17.460 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.705 -14.466 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.484 -14.443 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.617 -15.704 -6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 122 1.206 -16.701 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 122 2.025 -15.384 -3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 122 2.013 -15.399 -5.334 1.00 0.00 H new ATOM 1848 N HIS A 123 6.844 -16.950 -6.620 1.00 0.00 N ATOM 1849 CA HIS A 123 7.196 -17.596 -7.871 1.00 0.00 C ATOM 1850 C HIS A 123 8.175 -18.758 -7.647 1.00 0.00 C ATOM 1851 O HIS A 123 8.147 -19.748 -8.375 1.00 0.00 O ATOM 1852 CB HIS A 123 7.794 -16.593 -8.859 1.00 0.00 C ATOM 1853 CG HIS A 123 6.773 -15.750 -9.557 1.00 0.00 C ATOM 1854 ND1 HIS A 123 5.606 -15.225 -9.121 1.00 0.00 N flip ATOM 1855 CD2 HIS A 123 6.899 -15.353 -10.871 1.00 0.00 C flip ATOM 1856 CE1 HIS A 123 5.055 -14.532 -10.167 1.00 0.00 C flip ATOM 1857 NE2 HIS A 123 5.856 -14.622 -11.210 1.00 0.00 N flip ATOM 0 H HIS A 123 7.237 -16.018 -6.491 1.00 0.00 H new ATOM 0 HA HIS A 123 6.276 -17.999 -8.295 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.487 -15.941 -8.326 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.376 -17.135 -9.605 1.00 0.00 H new ATOM 0 HD2 HIS A 123 7.724 -15.602 -11.522 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.116 -13.998 -10.141 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.696 -14.198 -12.124 1.00 0.00 H new ATOM 1866 N LYS A 124 9.026 -18.637 -6.626 1.00 0.00 N ATOM 1867 CA LYS A 124 10.025 -19.650 -6.315 1.00 0.00 C ATOM 1868 C LYS A 124 9.377 -20.954 -5.853 1.00 0.00 C ATOM 1869 O LYS A 124 9.868 -22.041 -6.160 1.00 0.00 O ATOM 1870 CB LYS A 124 10.946 -19.121 -5.211 1.00 0.00 C ATOM 1871 CG LYS A 124 12.155 -19.995 -4.927 1.00 0.00 C ATOM 1872 CD LYS A 124 13.163 -19.918 -6.057 1.00 0.00 C ATOM 1873 CE LYS A 124 14.485 -20.571 -5.680 1.00 0.00 C ATOM 1874 NZ LYS A 124 15.020 -20.042 -4.397 1.00 0.00 N ATOM 0 H LYS A 124 9.039 -17.835 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 124 10.594 -19.860 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.291 -18.125 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.368 -19.013 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.624 -19.680 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.836 -21.028 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 124 12.755 -20.407 -6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.335 -18.874 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.347 -21.649 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.213 -20.402 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 16.058 -20.005 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.646 -19.085 -4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.730 -20.665 -3.617 1.00 0.00 H new ATOM 1888 N LEU A 125 8.266 -20.849 -5.129 1.00 0.00 N ATOM 1889 CA LEU A 125 7.583 -22.039 -4.623 1.00 0.00 C ATOM 1890 C LEU A 125 6.619 -22.640 -5.645 1.00 0.00 C ATOM 1891 O LEU A 125 5.843 -23.534 -5.304 1.00 0.00 O ATOM 1892 CB LEU A 125 6.847 -21.747 -3.317 1.00 0.00 C ATOM 1893 CG LEU A 125 6.021 -20.468 -3.293 1.00 0.00 C ATOM 1894 CD1 LEU A 125 4.532 -20.778 -3.244 1.00 0.00 C ATOM 1895 CD2 LEU A 125 6.450 -19.636 -2.105 1.00 0.00 C ATOM 0 H LEU A 125 7.823 -19.964 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 125 8.362 -22.777 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.188 -22.587 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.580 -21.699 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 125 6.195 -19.904 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.967 -19.846 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 125 4.252 -21.357 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.309 -21.353 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.866 -18.716 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.285 -20.200 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 125 7.508 -19.391 -2.195 1.00 0.00 H new ATOM 1907 N ASN A 126 6.689 -22.160 -6.893 1.00 0.00 N ATOM 1908 CA ASN A 126 5.805 -22.615 -7.968 1.00 0.00 C ATOM 1909 C ASN A 126 4.369 -22.160 -7.732 1.00 0.00 C ATOM 1910 O ASN A 126 3.690 -22.621 -6.816 1.00 0.00 O ATOM 1911 CB ASN A 126 5.868 -24.138 -8.147 1.00 0.00 C ATOM 1912 CG ASN A 126 7.190 -24.597 -8.729 1.00 0.00 C ATOM 1913 OD1 ASN A 126 7.353 -24.661 -9.947 1.00 0.00 O ATOM 1914 ND2 ASN A 126 8.141 -24.929 -7.870 1.00 0.00 N ATOM 0 H ASN A 126 7.359 -21.447 -7.183 1.00 0.00 H new ATOM 0 HA ASN A 126 6.160 -22.157 -8.891 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.711 -24.621 -7.183 1.00 0.00 H new ATOM 0 HB3 ASN A 126 5.056 -24.458 -8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 126 9.047 -25.251 -8.211 1.00 0.00 H new ATOM 0 HD22 ASN A 126 7.968 -24.863 -6.867 1.00 0.00 H new ATOM 1921 N TRP A 127 3.917 -21.245 -8.570 1.00 0.00 N ATOM 1922 CA TRP A 127 2.588 -20.672 -8.436 1.00 0.00 C ATOM 1923 C TRP A 127 1.701 -21.101 -9.602 1.00 0.00 C ATOM 1924 O TRP A 127 2.118 -21.890 -10.452 1.00 0.00 O ATOM 1925 CB TRP A 127 2.682 -19.142 -8.368 1.00 0.00 C ATOM 1926 CG TRP A 127 3.212 -18.517 -9.626 1.00 0.00 C ATOM 1927 CD1 TRP A 127 4.423 -18.747 -10.212 1.00 0.00 C ATOM 1928 CD2 TRP A 127 2.549 -17.549 -10.447 1.00 0.00 C ATOM 1929 NE1 TRP A 127 4.546 -17.996 -11.352 1.00 0.00 N ATOM 1930 CE2 TRP A 127 3.408 -17.251 -11.520 1.00 0.00 C ATOM 1931 CE3 TRP A 127 1.308 -16.911 -10.382 1.00 0.00 C ATOM 1932 CZ2 TRP A 127 3.067 -16.341 -12.517 1.00 0.00 C ATOM 1933 CZ3 TRP A 127 0.970 -16.008 -11.372 1.00 0.00 C ATOM 1934 CH2 TRP A 127 1.847 -15.731 -12.429 1.00 0.00 C ATOM 0 H TRP A 127 4.454 -20.880 -9.356 1.00 0.00 H new ATOM 0 HA TRP A 127 2.139 -21.038 -7.513 1.00 0.00 H new ATOM 0 HB2 TRP A 127 1.693 -18.734 -8.158 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.326 -18.862 -7.534 1.00 0.00 H new ATOM 0 HD1 TRP A 127 5.175 -19.423 -9.833 1.00 0.00 H new ATOM 0 HE1 TRP A 127 5.354 -17.992 -11.975 1.00 0.00 H new ATOM 0 HE3 TRP A 127 0.625 -17.120 -9.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 3.743 -16.125 -13.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 0.014 -15.507 -11.330 1.00 0.00 H new ATOM 0 HH2 TRP A 127 1.553 -15.022 -13.189 1.00 0.00 H new ATOM 1945 N VAL A 128 0.478 -20.591 -9.634 1.00 0.00 N ATOM 1946 CA VAL A 128 -0.444 -20.878 -10.726 1.00 0.00 C ATOM 1947 C VAL A 128 -0.841 -19.590 -11.442 1.00 0.00 C ATOM 1948 O VAL A 128 -1.198 -18.603 -10.799 1.00 0.00 O ATOM 1949 CB VAL A 128 -1.709 -21.620 -10.234 1.00 0.00 C ATOM 1950 CG1 VAL A 128 -1.363 -23.032 -9.790 1.00 0.00 C ATOM 1951 CG2 VAL A 128 -2.383 -20.862 -9.098 1.00 0.00 C ATOM 0 H VAL A 128 0.100 -19.975 -8.915 1.00 0.00 H new ATOM 0 HA VAL A 128 0.076 -21.533 -11.424 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.408 -21.676 -11.069 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.266 -23.537 -9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.935 -23.582 -10.628 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.640 -22.990 -8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.269 -21.407 -8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -1.689 -20.766 -8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.674 -19.870 -9.444 1.00 0.00 H new ATOM 1961 N PRO A 129 -0.766 -19.581 -12.782 1.00 0.00 N ATOM 1962 CA PRO A 129 -1.048 -18.388 -13.591 1.00 0.00 C ATOM 1963 C PRO A 129 -2.498 -17.921 -13.472 1.00 0.00 C ATOM 1964 O PRO A 129 -3.385 -18.691 -13.089 1.00 0.00 O ATOM 1965 CB PRO A 129 -0.756 -18.838 -15.029 1.00 0.00 C ATOM 1966 CG PRO A 129 0.051 -20.085 -14.896 1.00 0.00 C ATOM 1967 CD PRO A 129 -0.403 -20.732 -13.621 1.00 0.00 C ATOM 0 HA PRO A 129 -0.447 -17.540 -13.264 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -1.679 -19.024 -15.578 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -0.208 -18.072 -15.577 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.108 -20.746 -15.748 1.00 0.00 H new ATOM 0 HG3 PRO A 129 1.117 -19.859 -14.862 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.251 -21.397 -13.785 1.00 0.00 H new ATOM 0 HD3 PRO A 129 0.387 -21.330 -13.167 1.00 0.00 H new ATOM 1975 N ASN A 130 -2.729 -16.658 -13.802 1.00 0.00 N ATOM 1976 CA ASN A 130 -4.068 -16.085 -13.753 1.00 0.00 C ATOM 1977 C ASN A 130 -4.625 -15.936 -15.165 1.00 0.00 C ATOM 1978 O ASN A 130 -3.871 -15.802 -16.128 1.00 0.00 O ATOM 1979 CB ASN A 130 -4.042 -14.722 -13.051 1.00 0.00 C ATOM 1980 CG ASN A 130 -5.427 -14.120 -12.878 1.00 0.00 C ATOM 1981 OD1 ASN A 130 -6.417 -14.839 -12.708 1.00 0.00 O ATOM 1982 ND2 ASN A 130 -5.512 -12.799 -12.935 1.00 0.00 N ATOM 0 H ASN A 130 -2.004 -16.008 -14.108 1.00 0.00 H new ATOM 0 HA ASN A 130 -4.713 -16.756 -13.186 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.574 -14.832 -12.073 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.422 -14.034 -13.626 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -6.418 -12.342 -12.837 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -4.671 -12.239 -13.077 1.00 0.00 H new ATOM 1989 N MET A 131 -5.942 -15.969 -15.280 1.00 0.00 N ATOM 1990 CA MET A 131 -6.608 -15.856 -16.570 1.00 0.00 C ATOM 1991 C MET A 131 -7.007 -14.408 -16.837 1.00 0.00 C ATOM 1992 O MET A 131 -6.659 -13.506 -16.072 1.00 0.00 O ATOM 1993 CB MET A 131 -7.843 -16.759 -16.598 1.00 0.00 C ATOM 1994 CG MET A 131 -7.522 -18.232 -16.399 1.00 0.00 C ATOM 1995 SD MET A 131 -8.998 -19.246 -16.182 1.00 0.00 S ATOM 1996 CE MET A 131 -8.262 -20.873 -16.024 1.00 0.00 C ATOM 0 H MET A 131 -6.577 -16.074 -14.489 1.00 0.00 H new ATOM 0 HA MET A 131 -5.918 -16.174 -17.352 1.00 0.00 H new ATOM 0 HB2 MET A 131 -8.536 -16.438 -15.820 1.00 0.00 H new ATOM 0 HB3 MET A 131 -8.354 -16.632 -17.552 1.00 0.00 H new ATOM 0 HG2 MET A 131 -6.960 -18.596 -17.259 1.00 0.00 H new ATOM 0 HG3 MET A 131 -6.878 -18.344 -15.527 1.00 0.00 H new ATOM 0 HE1 MET A 131 -9.047 -21.616 -15.883 1.00 0.00 H new ATOM 0 HE2 MET A 131 -7.699 -21.107 -16.928 1.00 0.00 H new ATOM 0 HE3 MET A 131 -7.591 -20.887 -15.165 1.00 0.00 H new ATOM 2006 N ASP A 132 -7.730 -14.186 -17.926 1.00 0.00 N ATOM 2007 CA ASP A 132 -8.206 -12.850 -18.265 1.00 0.00 C ATOM 2008 C ASP A 132 -9.308 -12.426 -17.305 1.00 0.00 C ATOM 2009 O ASP A 132 -10.346 -13.080 -17.209 1.00 0.00 O ATOM 2010 CB ASP A 132 -8.723 -12.802 -19.706 1.00 0.00 C ATOM 2011 CG ASP A 132 -7.646 -13.114 -20.723 1.00 0.00 C ATOM 2012 OD1 ASP A 132 -6.873 -12.197 -21.083 1.00 0.00 O ATOM 2013 OD2 ASP A 132 -7.565 -14.278 -21.172 1.00 0.00 O ATOM 0 H ASP A 132 -8.000 -14.912 -18.590 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.368 -12.159 -18.177 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -9.541 -13.514 -19.818 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -9.132 -11.812 -19.908 1.00 0.00 H new ATOM 2018 N LEU A 133 -9.071 -11.343 -16.582 1.00 0.00 N ATOM 2019 CA LEU A 133 -10.037 -10.859 -15.611 1.00 0.00 C ATOM 2020 C LEU A 133 -10.809 -9.675 -16.185 1.00 0.00 C ATOM 2021 O LEU A 133 -10.527 -8.526 -15.851 1.00 0.00 O ATOM 2022 CB LEU A 133 -9.325 -10.474 -14.305 1.00 0.00 C ATOM 2023 CG LEU A 133 -10.143 -10.631 -13.011 1.00 0.00 C ATOM 2024 CD1 LEU A 133 -11.311 -9.658 -12.968 1.00 0.00 C ATOM 2025 CD2 LEU A 133 -10.639 -12.063 -12.866 1.00 0.00 C ATOM 0 H LEU A 133 -8.220 -10.784 -16.649 1.00 0.00 H new ATOM 0 HA LEU A 133 -10.750 -11.653 -15.388 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.423 -11.080 -14.215 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -9.005 -9.435 -14.383 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.486 -10.399 -12.173 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -11.866 -9.797 -12.040 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.935 -8.636 -13.016 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -11.970 -9.843 -13.817 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -11.216 -12.157 -11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -11.270 -12.317 -13.717 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.787 -12.741 -12.831 1.00 0.00 H new ATOM 2037 N VAL A 134 -11.757 -9.985 -17.076 1.00 0.00 N ATOM 2038 CA VAL A 134 -12.643 -9.000 -17.717 1.00 0.00 C ATOM 2039 C VAL A 134 -11.957 -7.659 -18.007 1.00 0.00 C ATOM 2040 O VAL A 134 -12.166 -6.657 -17.315 1.00 0.00 O ATOM 2041 CB VAL A 134 -13.964 -8.777 -16.929 1.00 0.00 C ATOM 2042 CG1 VAL A 134 -14.836 -10.021 -17.001 1.00 0.00 C ATOM 2043 CG2 VAL A 134 -13.710 -8.399 -15.475 1.00 0.00 C ATOM 0 H VAL A 134 -11.935 -10.943 -17.379 1.00 0.00 H new ATOM 0 HA VAL A 134 -12.897 -9.445 -18.679 1.00 0.00 H new ATOM 0 HB VAL A 134 -14.483 -7.941 -17.398 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -15.758 -9.852 -16.445 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -15.075 -10.238 -18.042 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -14.301 -10.866 -16.567 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -14.662 -8.253 -14.965 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -13.153 -9.197 -14.983 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -13.132 -7.476 -15.435 1.00 0.00 H new ATOM 2053 N ILE A 135 -11.119 -7.654 -19.031 1.00 0.00 N ATOM 2054 CA ILE A 135 -10.439 -6.438 -19.449 1.00 0.00 C ATOM 2055 C ILE A 135 -11.377 -5.555 -20.264 1.00 0.00 C ATOM 2056 O ILE A 135 -11.664 -5.817 -21.437 1.00 0.00 O ATOM 2057 CB ILE A 135 -9.116 -6.694 -20.227 1.00 0.00 C ATOM 2058 CG1 ILE A 135 -9.308 -7.585 -21.471 1.00 0.00 C ATOM 2059 CG2 ILE A 135 -8.077 -7.305 -19.296 1.00 0.00 C ATOM 2060 CD1 ILE A 135 -9.642 -9.026 -21.160 1.00 0.00 C ATOM 0 H ILE A 135 -10.893 -8.478 -19.588 1.00 0.00 H new ATOM 0 HA ILE A 135 -10.154 -5.921 -18.533 1.00 0.00 H new ATOM 0 HB ILE A 135 -8.768 -5.726 -20.589 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -10.104 -7.164 -22.085 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -8.396 -7.556 -22.068 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -7.153 -7.482 -19.847 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -7.881 -6.621 -18.470 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -8.451 -8.250 -18.903 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -9.760 -9.581 -22.091 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -8.836 -9.468 -20.574 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -10.571 -9.070 -20.591 1.00 0.00 H new ATOM 2072 N GLY A 136 -11.884 -4.531 -19.605 1.00 0.00 N ATOM 2073 CA GLY A 136 -12.807 -3.609 -20.236 1.00 0.00 C ATOM 2074 C GLY A 136 -12.119 -2.693 -21.226 1.00 0.00 C ATOM 2075 O GLY A 136 -10.899 -2.505 -21.172 1.00 0.00 O ATOM 0 H GLY A 136 -11.671 -4.317 -18.631 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -13.587 -4.173 -20.748 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -13.298 -3.009 -19.470 1.00 0.00 H new ATOM 2079 N GLU A 137 -12.898 -2.107 -22.118 1.00 0.00 N ATOM 2080 CA GLU A 137 -12.355 -1.256 -23.161 1.00 0.00 C ATOM 2081 C GLU A 137 -12.843 0.177 -22.977 1.00 0.00 C ATOM 2082 O GLU A 137 -14.041 0.459 -23.078 1.00 0.00 O ATOM 2083 CB GLU A 137 -12.763 -1.798 -24.531 1.00 0.00 C ATOM 2084 CG GLU A 137 -12.034 -1.151 -25.696 1.00 0.00 C ATOM 2085 CD GLU A 137 -12.351 -1.829 -27.011 1.00 0.00 C ATOM 2086 OE1 GLU A 137 -11.947 -2.999 -27.194 1.00 0.00 O ATOM 2087 OE2 GLU A 137 -13.018 -1.209 -27.862 1.00 0.00 O ATOM 0 H GLU A 137 -13.913 -2.206 -22.140 1.00 0.00 H new ATOM 0 HA GLU A 137 -11.267 -1.255 -23.097 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -12.581 -2.872 -24.554 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -13.835 -1.654 -24.662 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -12.309 -0.098 -25.756 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -10.959 -1.190 -25.518 1.00 0.00 H new ATOM 2094 N VAL A 138 -11.917 1.075 -22.677 1.00 0.00 N ATOM 2095 CA VAL A 138 -12.252 2.474 -22.462 1.00 0.00 C ATOM 2096 C VAL A 138 -12.033 3.284 -23.735 1.00 0.00 C ATOM 2097 O VAL A 138 -10.929 3.316 -24.278 1.00 0.00 O ATOM 2098 CB VAL A 138 -11.414 3.090 -21.318 1.00 0.00 C ATOM 2099 CG1 VAL A 138 -11.761 4.561 -21.119 1.00 0.00 C ATOM 2100 CG2 VAL A 138 -11.622 2.314 -20.027 1.00 0.00 C ATOM 0 H VAL A 138 -10.925 0.859 -22.577 1.00 0.00 H new ATOM 0 HA VAL A 138 -13.305 2.511 -22.183 1.00 0.00 H new ATOM 0 HB VAL A 138 -10.362 3.025 -21.596 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -11.158 4.971 -20.309 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -11.556 5.111 -22.038 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -12.818 4.655 -20.868 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -11.024 2.762 -19.233 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -12.676 2.345 -19.750 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -11.315 1.278 -20.172 1.00 0.00 H new ATOM 2110 N LEU A 139 -13.092 3.926 -24.203 1.00 0.00 N ATOM 2111 CA LEU A 139 -13.017 4.778 -25.378 1.00 0.00 C ATOM 2112 C LEU A 139 -12.651 6.190 -24.937 1.00 0.00 C ATOM 2113 O LEU A 139 -13.447 6.874 -24.287 1.00 0.00 O ATOM 2114 CB LEU A 139 -14.362 4.764 -26.124 1.00 0.00 C ATOM 2115 CG LEU A 139 -14.340 5.256 -27.580 1.00 0.00 C ATOM 2116 CD1 LEU A 139 -15.617 4.839 -28.289 1.00 0.00 C ATOM 2117 CD2 LEU A 139 -14.187 6.768 -27.657 1.00 0.00 C ATOM 0 H LEU A 139 -14.020 3.872 -23.783 1.00 0.00 H new ATOM 0 HA LEU A 139 -12.252 4.409 -26.061 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -14.748 3.745 -26.113 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -15.069 5.378 -25.566 1.00 0.00 H new ATOM 0 HG LEU A 139 -13.479 4.801 -28.070 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -15.593 5.192 -29.320 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -15.700 3.752 -28.279 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -16.476 5.273 -27.777 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -14.175 7.080 -28.701 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -15.023 7.245 -27.145 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -13.253 7.064 -27.180 1.00 0.00 H new ATOM 2129 N ALA A 140 -11.441 6.609 -25.269 1.00 0.00 N ATOM 2130 CA ALA A 140 -10.953 7.919 -24.881 1.00 0.00 C ATOM 2131 C ALA A 140 -11.517 8.994 -25.797 1.00 0.00 C ATOM 2132 O ALA A 140 -11.123 9.109 -26.959 1.00 0.00 O ATOM 2133 CB ALA A 140 -9.431 7.943 -24.896 1.00 0.00 C ATOM 0 H ALA A 140 -10.776 6.056 -25.810 1.00 0.00 H new ATOM 0 HA ALA A 140 -11.291 8.127 -23.866 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.080 8.932 -24.603 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -9.048 7.200 -24.196 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -9.073 7.714 -25.900 1.00 0.00 H new ATOM 2139 N GLU A 141 -12.457 9.765 -25.281 1.00 0.00 N ATOM 2140 CA GLU A 141 -13.052 10.853 -26.038 1.00 0.00 C ATOM 2141 C GLU A 141 -12.924 12.152 -25.262 1.00 0.00 C ATOM 2142 O GLU A 141 -13.028 12.159 -24.033 1.00 0.00 O ATOM 2143 CB GLU A 141 -14.525 10.559 -26.335 1.00 0.00 C ATOM 2144 CG GLU A 141 -15.183 11.603 -27.224 1.00 0.00 C ATOM 2145 CD GLU A 141 -16.631 11.288 -27.520 1.00 0.00 C ATOM 2146 OE1 GLU A 141 -16.896 10.264 -28.178 1.00 0.00 O ATOM 2147 OE2 GLU A 141 -17.513 12.072 -27.114 1.00 0.00 O ATOM 0 H GLU A 141 -12.827 9.658 -24.336 1.00 0.00 H new ATOM 0 HA GLU A 141 -12.522 10.950 -26.986 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -14.603 9.583 -26.814 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -15.072 10.497 -25.394 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -15.119 12.578 -26.741 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -14.632 11.675 -28.162 1.00 0.00 H new ATOM 2154 N VAL A 142 -12.689 13.243 -25.977 1.00 0.00 N ATOM 2155 CA VAL A 142 -12.552 14.551 -25.356 1.00 0.00 C ATOM 2156 C VAL A 142 -13.895 15.017 -24.809 1.00 0.00 C ATOM 2157 O VAL A 142 -14.076 14.992 -23.575 1.00 0.00 O ATOM 2158 CB VAL A 142 -12.020 15.602 -26.347 1.00 0.00 C ATOM 2159 CG1 VAL A 142 -11.694 16.902 -25.628 1.00 0.00 C ATOM 2160 CG2 VAL A 142 -10.802 15.073 -27.091 1.00 0.00 C ATOM 2161 OXT VAL A 142 -14.771 15.384 -25.619 1.00 0.00 O ATOM 0 H VAL A 142 -12.589 13.247 -26.992 1.00 0.00 H new ATOM 0 HA VAL A 142 -11.832 14.449 -24.544 1.00 0.00 H new ATOM 0 HB VAL A 142 -12.801 15.807 -27.080 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.320 17.631 -26.346 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -12.595 17.291 -25.152 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.934 16.717 -24.869 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.442 15.832 -27.786 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.015 14.833 -26.376 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -11.075 14.175 -27.644 1.00 0.00 H new TER 2171 VAL A 142