USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 871 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 50 HIS : no HD1:sc= -0.0423 K(o=-0.71,f=-1.8) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -176:sc= -0.672 (180deg=-0.675) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -160:sc= -0.0417 (180deg=-0.364) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.03 USER MOD Single : A 11 THR OG1 : rot -139:sc= -3.51! USER MOD Single : A 12 SER OG : rot -145:sc= 0.211 USER MOD Single : A 14 ASN : amide:sc= -2.61 K(o=-2.6,f=-11!) USER MOD Single : A 16 GLN : amide:sc= -5.39! C(o=-5.4!,f=-5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0371) USER MOD Single : A 27 GLN : amide:sc= -0.0683 K(o=-0.068,f=-2.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.4!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0282 K(o=-0.028,f=-0.77) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.72 K(o=-2.7,f=-4.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.73! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -144:sc= 0.553 (180deg=-0.404) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.84) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.249) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 140:sc= 1.04 (180deg=0.151) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -4.2 K(o=-4.2,f=-1.8!) USER MOD Single : A 100 SER OG : rot 38:sc= 1.21 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -22:sc= 0.626 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.465 28.662 11.510 1.00 0.00 N ATOM 2 CA GLY A 1 12.517 29.266 10.592 1.00 0.00 C ATOM 3 C GLY A 1 11.825 30.477 11.186 1.00 0.00 C ATOM 4 O GLY A 1 12.448 31.520 11.387 1.00 0.00 O ATOM 0 H1 GLY A 1 13.911 27.839 11.057 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.196 29.357 11.761 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.968 28.356 12.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.036 29.559 9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.768 28.526 10.309 1.00 0.00 H new ATOM 8 N SER A 2 10.534 30.340 11.468 1.00 0.00 N ATOM 9 CA SER A 2 9.755 31.434 12.038 1.00 0.00 C ATOM 10 C SER A 2 8.780 30.915 13.090 1.00 0.00 C ATOM 11 O SER A 2 8.535 29.713 13.187 1.00 0.00 O ATOM 12 CB SER A 2 8.991 32.171 10.937 1.00 0.00 C ATOM 13 OG SER A 2 9.766 33.228 10.398 1.00 0.00 O ATOM 0 H SER A 2 10.005 29.482 11.311 1.00 0.00 H new ATOM 0 HA SER A 2 10.445 32.128 12.518 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.724 31.472 10.145 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.059 32.568 11.340 1.00 0.00 H new ATOM 0 HG SER A 2 9.256 33.682 9.695 1.00 0.00 H new ATOM 19 N SER A 3 8.226 31.832 13.877 1.00 0.00 N ATOM 20 CA SER A 3 7.281 31.469 14.926 1.00 0.00 C ATOM 21 C SER A 3 5.906 31.166 14.337 1.00 0.00 C ATOM 22 O SER A 3 5.603 31.552 13.209 1.00 0.00 O ATOM 23 CB SER A 3 7.170 32.596 15.955 1.00 0.00 C ATOM 24 OG SER A 3 6.410 33.678 15.446 1.00 0.00 O ATOM 0 H SER A 3 8.416 32.832 13.808 1.00 0.00 H new ATOM 0 HA SER A 3 7.652 30.571 15.420 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.705 32.217 16.865 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.167 32.944 16.227 1.00 0.00 H new ATOM 0 HG SER A 3 6.352 34.384 16.123 1.00 0.00 H new ATOM 30 N GLY A 4 5.078 30.471 15.111 1.00 0.00 N ATOM 31 CA GLY A 4 3.745 30.127 14.649 1.00 0.00 C ATOM 32 C GLY A 4 2.669 30.969 15.306 1.00 0.00 C ATOM 33 O GLY A 4 2.828 31.415 16.443 1.00 0.00 O ATOM 0 H GLY A 4 5.306 30.140 16.049 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.694 30.256 13.568 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.553 29.074 14.854 1.00 0.00 H new ATOM 37 N SER A 5 1.571 31.188 14.590 1.00 0.00 N ATOM 38 CA SER A 5 0.467 31.986 15.108 1.00 0.00 C ATOM 39 C SER A 5 -0.716 31.098 15.483 1.00 0.00 C ATOM 40 O SER A 5 -1.034 30.139 14.781 1.00 0.00 O ATOM 41 CB SER A 5 0.031 33.025 14.073 1.00 0.00 C ATOM 42 OG SER A 5 -0.382 32.402 12.868 1.00 0.00 O ATOM 0 H SER A 5 1.423 30.824 13.649 1.00 0.00 H new ATOM 0 HA SER A 5 0.812 32.500 16.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.786 33.623 14.476 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.856 33.708 13.869 1.00 0.00 H new ATOM 0 HG SER A 5 -0.657 33.087 12.223 1.00 0.00 H new ATOM 48 N SER A 6 -1.364 31.426 16.597 1.00 0.00 N ATOM 49 CA SER A 6 -2.509 30.657 17.069 1.00 0.00 C ATOM 50 C SER A 6 -3.817 31.299 16.617 1.00 0.00 C ATOM 51 O SER A 6 -3.886 32.507 16.395 1.00 0.00 O ATOM 52 CB SER A 6 -2.482 30.548 18.595 1.00 0.00 C ATOM 53 OG SER A 6 -2.732 31.804 19.201 1.00 0.00 O ATOM 0 H SER A 6 -1.115 32.219 17.189 1.00 0.00 H new ATOM 0 HA SER A 6 -2.447 29.657 16.639 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.230 29.827 18.924 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.512 30.171 18.919 1.00 0.00 H new ATOM 0 HG SER A 6 -2.711 31.707 20.176 1.00 0.00 H new ATOM 59 N GLY A 7 -4.856 30.479 16.483 1.00 0.00 N ATOM 60 CA GLY A 7 -6.149 30.983 16.058 1.00 0.00 C ATOM 61 C GLY A 7 -7.085 29.876 15.614 1.00 0.00 C ATOM 62 O GLY A 7 -7.188 28.841 16.271 1.00 0.00 O ATOM 0 H GLY A 7 -4.825 29.475 16.661 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.608 31.535 16.878 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.009 31.687 15.238 1.00 0.00 H new ATOM 66 N MET A 8 -7.770 30.096 14.497 1.00 0.00 N ATOM 67 CA MET A 8 -8.702 29.109 13.966 1.00 0.00 C ATOM 68 C MET A 8 -8.364 28.763 12.519 1.00 0.00 C ATOM 69 O MET A 8 -8.280 29.644 11.664 1.00 0.00 O ATOM 70 CB MET A 8 -10.137 29.632 14.055 1.00 0.00 C ATOM 71 CG MET A 8 -10.732 29.543 15.451 1.00 0.00 C ATOM 72 SD MET A 8 -11.460 27.929 15.794 1.00 0.00 S ATOM 73 CE MET A 8 -12.937 28.003 14.784 1.00 0.00 C ATOM 0 H MET A 8 -7.697 30.949 13.942 1.00 0.00 H new ATOM 0 HA MET A 8 -8.614 28.204 14.567 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.157 30.671 13.726 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.764 29.067 13.365 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.955 29.751 16.187 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.495 30.313 15.567 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.659 27.268 15.141 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.372 29.000 14.849 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.680 27.786 13.747 1.00 0.00 H new ATOM 83 N SER A 9 -8.169 27.475 12.253 1.00 0.00 N ATOM 84 CA SER A 9 -7.835 27.014 10.911 1.00 0.00 C ATOM 85 C SER A 9 -7.971 25.498 10.808 1.00 0.00 C ATOM 86 O SER A 9 -7.402 24.757 11.610 1.00 0.00 O ATOM 87 CB SER A 9 -6.412 27.436 10.543 1.00 0.00 C ATOM 88 OG SER A 9 -6.175 27.277 9.155 1.00 0.00 O ATOM 0 H SER A 9 -8.237 26.733 12.949 1.00 0.00 H new ATOM 0 HA SER A 9 -8.534 27.472 10.212 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.254 28.477 10.825 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.695 26.840 11.108 1.00 0.00 H new ATOM 0 HG SER A 9 -5.259 27.555 8.946 1.00 0.00 H new ATOM 94 N SER A 10 -8.729 25.044 9.815 1.00 0.00 N ATOM 95 CA SER A 10 -8.944 23.616 9.608 1.00 0.00 C ATOM 96 C SER A 10 -7.778 22.997 8.843 1.00 0.00 C ATOM 97 O SER A 10 -7.089 23.676 8.080 1.00 0.00 O ATOM 98 CB SER A 10 -10.250 23.380 8.848 1.00 0.00 C ATOM 99 OG SER A 10 -10.350 22.036 8.411 1.00 0.00 O ATOM 0 H SER A 10 -9.205 25.644 9.141 1.00 0.00 H new ATOM 0 HA SER A 10 -9.010 23.138 10.585 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.097 23.621 9.491 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.301 24.050 7.989 1.00 0.00 H new ATOM 0 HG SER A 10 -11.194 21.911 7.929 1.00 0.00 H new ATOM 105 N THR A 11 -7.562 21.702 9.053 1.00 0.00 N ATOM 106 CA THR A 11 -6.480 20.990 8.385 1.00 0.00 C ATOM 107 C THR A 11 -6.921 20.473 7.020 1.00 0.00 C ATOM 108 O THR A 11 -8.069 20.066 6.842 1.00 0.00 O ATOM 109 CB THR A 11 -5.980 19.805 9.233 1.00 0.00 C ATOM 110 OG1 THR A 11 -4.917 19.129 8.552 1.00 0.00 O ATOM 111 CG2 THR A 11 -7.111 18.827 9.515 1.00 0.00 C ATOM 0 H THR A 11 -8.122 21.125 9.681 1.00 0.00 H new ATOM 0 HA THR A 11 -5.666 21.703 8.254 1.00 0.00 H new ATOM 0 HB THR A 11 -5.612 20.195 10.182 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.024 18.161 8.658 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.735 17.999 10.115 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.906 19.337 10.059 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.504 18.444 8.573 1.00 0.00 H new ATOM 119 N SER A 12 -6.003 20.492 6.060 1.00 0.00 N ATOM 120 CA SER A 12 -6.299 20.028 4.710 1.00 0.00 C ATOM 121 C SER A 12 -7.017 18.683 4.743 1.00 0.00 C ATOM 122 O SER A 12 -6.886 17.904 5.687 1.00 0.00 O ATOM 123 CB SER A 12 -5.010 19.912 3.894 1.00 0.00 C ATOM 124 OG SER A 12 -4.475 21.190 3.600 1.00 0.00 O ATOM 0 H SER A 12 -5.048 20.824 6.192 1.00 0.00 H new ATOM 0 HA SER A 12 -6.955 20.758 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.277 19.326 4.448 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.210 19.376 2.966 1.00 0.00 H new ATOM 0 HG SER A 12 -4.066 21.176 2.709 1.00 0.00 H new ATOM 130 N PRO A 13 -7.795 18.402 3.687 1.00 0.00 N ATOM 131 CA PRO A 13 -8.549 17.151 3.569 1.00 0.00 C ATOM 132 C PRO A 13 -7.642 15.946 3.346 1.00 0.00 C ATOM 133 O PRO A 13 -7.781 14.920 4.012 1.00 0.00 O ATOM 134 CB PRO A 13 -9.438 17.386 2.345 1.00 0.00 C ATOM 135 CG PRO A 13 -8.708 18.402 1.537 1.00 0.00 C ATOM 136 CD PRO A 13 -7.997 19.284 2.525 1.00 0.00 C ATOM 0 HA PRO A 13 -9.105 16.923 4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.588 16.465 1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.425 17.746 2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.000 17.926 0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.398 18.981 0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.050 19.649 2.128 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.593 20.159 2.784 1.00 0.00 H new ATOM 144 N ASN A 14 -6.713 16.077 2.404 1.00 0.00 N ATOM 145 CA ASN A 14 -5.782 14.998 2.093 1.00 0.00 C ATOM 146 C ASN A 14 -5.005 14.574 3.336 1.00 0.00 C ATOM 147 O ASN A 14 -4.748 13.388 3.546 1.00 0.00 O ATOM 148 CB ASN A 14 -4.811 15.434 0.995 1.00 0.00 C ATOM 149 CG ASN A 14 -4.542 16.927 1.021 1.00 0.00 C ATOM 150 OD1 ASN A 14 -4.329 17.511 2.083 1.00 0.00 O ATOM 151 ND2 ASN A 14 -4.551 17.550 -0.152 1.00 0.00 N ATOM 0 H ASN A 14 -6.585 16.919 1.843 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.360 14.144 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.870 14.896 1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.218 15.158 0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.377 18.554 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.732 17.024 -1.007 1.00 0.00 H new ATOM 158 N LEU A 15 -4.634 15.551 4.156 1.00 0.00 N ATOM 159 CA LEU A 15 -3.887 15.280 5.379 1.00 0.00 C ATOM 160 C LEU A 15 -4.752 14.540 6.394 1.00 0.00 C ATOM 161 O LEU A 15 -4.399 13.452 6.848 1.00 0.00 O ATOM 162 CB LEU A 15 -3.374 16.587 5.986 1.00 0.00 C ATOM 163 CG LEU A 15 -2.668 16.468 7.338 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.419 15.610 7.214 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.320 17.846 7.881 1.00 0.00 C ATOM 0 H LEU A 15 -4.838 16.538 3.996 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.038 14.646 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.685 17.047 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.218 17.268 6.098 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.347 15.984 8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.930 15.537 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.695 14.613 6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.735 16.064 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.818 17.742 8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.659 18.357 7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.233 18.428 8.009 1.00 0.00 H new ATOM 177 N GLN A 16 -5.887 15.137 6.743 1.00 0.00 N ATOM 178 CA GLN A 16 -6.803 14.533 7.703 1.00 0.00 C ATOM 179 C GLN A 16 -7.019 13.055 7.394 1.00 0.00 C ATOM 180 O GLN A 16 -6.906 12.203 8.275 1.00 0.00 O ATOM 181 CB GLN A 16 -8.144 15.270 7.693 1.00 0.00 C ATOM 182 CG GLN A 16 -9.128 14.756 8.732 1.00 0.00 C ATOM 183 CD GLN A 16 -9.437 13.282 8.564 1.00 0.00 C ATOM 184 OE1 GLN A 16 -9.864 12.843 7.496 1.00 0.00 O ATOM 185 NE2 GLN A 16 -9.224 12.507 9.622 1.00 0.00 N ATOM 0 H GLN A 16 -6.194 16.038 6.376 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.358 14.616 8.694 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.967 16.332 7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.592 15.179 6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.720 14.927 9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.054 15.327 8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.869 12.912 10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.415 11.507 9.568 1.00 0.00 H new ATOM 194 N LYS A 17 -7.331 12.759 6.137 1.00 0.00 N ATOM 195 CA LYS A 17 -7.563 11.384 5.710 1.00 0.00 C ATOM 196 C LYS A 17 -6.348 10.510 6.006 1.00 0.00 C ATOM 197 O LYS A 17 -6.485 9.339 6.359 1.00 0.00 O ATOM 198 CB LYS A 17 -7.883 11.340 4.214 1.00 0.00 C ATOM 199 CG LYS A 17 -8.024 9.931 3.663 1.00 0.00 C ATOM 200 CD LYS A 17 -8.838 9.913 2.380 1.00 0.00 C ATOM 201 CE LYS A 17 -9.535 8.576 2.181 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.808 8.722 1.423 1.00 0.00 N ATOM 0 H LYS A 17 -7.429 13.453 5.396 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.414 10.995 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.809 11.886 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.095 11.858 3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.035 9.513 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.502 9.294 4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.580 10.711 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.185 10.114 1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.871 7.896 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.740 8.125 3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.253 7.789 1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.452 9.351 1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.610 9.128 0.486 1.00 0.00 H new ATOM 216 N ALA A 18 -5.160 11.088 5.862 1.00 0.00 N ATOM 217 CA ALA A 18 -3.922 10.363 6.118 1.00 0.00 C ATOM 218 C ALA A 18 -3.855 9.883 7.564 1.00 0.00 C ATOM 219 O ALA A 18 -3.424 8.763 7.837 1.00 0.00 O ATOM 220 CB ALA A 18 -2.720 11.239 5.795 1.00 0.00 C ATOM 0 H ALA A 18 -5.029 12.056 5.569 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.904 9.486 5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.802 10.684 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.752 11.528 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.744 12.133 6.418 1.00 0.00 H new ATOM 226 N ILE A 19 -4.283 10.739 8.486 1.00 0.00 N ATOM 227 CA ILE A 19 -4.272 10.401 9.904 1.00 0.00 C ATOM 228 C ILE A 19 -5.194 9.222 10.196 1.00 0.00 C ATOM 229 O ILE A 19 -4.774 8.222 10.779 1.00 0.00 O ATOM 230 CB ILE A 19 -4.701 11.599 10.772 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.669 12.725 10.670 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.880 11.168 12.219 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.940 13.692 9.539 1.00 0.00 C ATOM 0 H ILE A 19 -4.641 11.671 8.277 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.247 10.129 10.155 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.657 11.972 10.404 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.649 13.275 11.611 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.679 12.289 10.535 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.183 12.026 12.819 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.647 10.396 12.276 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.938 10.773 12.600 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.169 14.463 9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.931 13.155 8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.916 14.156 9.683 1.00 0.00 H new ATOM 245 N ASP A 20 -6.451 9.345 9.785 1.00 0.00 N ATOM 246 CA ASP A 20 -7.433 8.288 10.000 1.00 0.00 C ATOM 247 C ASP A 20 -6.935 6.962 9.433 1.00 0.00 C ATOM 248 O ASP A 20 -6.940 5.940 10.121 1.00 0.00 O ATOM 249 CB ASP A 20 -8.768 8.664 9.354 1.00 0.00 C ATOM 250 CG ASP A 20 -9.953 8.065 10.085 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.869 6.885 10.484 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.965 8.777 10.258 1.00 0.00 O ATOM 0 H ASP A 20 -6.814 10.166 9.301 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.578 8.172 11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.867 9.749 9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.775 8.326 8.318 1.00 0.00 H new ATOM 257 N LEU A 21 -6.508 6.984 8.176 1.00 0.00 N ATOM 258 CA LEU A 21 -6.008 5.783 7.516 1.00 0.00 C ATOM 259 C LEU A 21 -4.921 5.115 8.352 1.00 0.00 C ATOM 260 O LEU A 21 -5.066 3.967 8.772 1.00 0.00 O ATOM 261 CB LEU A 21 -5.460 6.129 6.130 1.00 0.00 C ATOM 262 CG LEU A 21 -6.497 6.520 5.077 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.814 7.058 3.829 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.381 5.330 4.732 1.00 0.00 C ATOM 0 H LEU A 21 -6.498 7.821 7.593 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.839 5.085 7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.752 6.951 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.900 5.271 5.758 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.127 7.308 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.568 7.331 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.224 7.937 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.160 6.292 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.113 5.626 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.765 4.521 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.898 4.989 5.629 1.00 0.00 H new ATOM 276 N ALA A 22 -3.835 5.842 8.593 1.00 0.00 N ATOM 277 CA ALA A 22 -2.726 5.321 9.382 1.00 0.00 C ATOM 278 C ALA A 22 -3.220 4.727 10.697 1.00 0.00 C ATOM 279 O ALA A 22 -2.766 3.664 11.119 1.00 0.00 O ATOM 280 CB ALA A 22 -1.705 6.417 9.647 1.00 0.00 C ATOM 0 H ALA A 22 -3.700 6.794 8.253 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.248 4.526 8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.883 6.013 10.237 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.321 6.793 8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.179 7.231 10.195 1.00 0.00 H new ATOM 286 N SER A 23 -4.152 5.422 11.342 1.00 0.00 N ATOM 287 CA SER A 23 -4.705 4.966 12.612 1.00 0.00 C ATOM 288 C SER A 23 -5.464 3.654 12.434 1.00 0.00 C ATOM 289 O SER A 23 -5.305 2.720 13.220 1.00 0.00 O ATOM 290 CB SER A 23 -5.633 6.030 13.200 1.00 0.00 C ATOM 291 OG SER A 23 -5.832 5.822 14.588 1.00 0.00 O ATOM 0 H SER A 23 -4.540 6.303 11.006 1.00 0.00 H new ATOM 0 HA SER A 23 -3.877 4.796 13.301 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.208 7.020 13.035 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.593 6.005 12.684 1.00 0.00 H new ATOM 0 HG SER A 23 -6.427 6.516 14.941 1.00 0.00 H new ATOM 297 N LYS A 24 -6.290 3.592 11.396 1.00 0.00 N ATOM 298 CA LYS A 24 -7.074 2.397 11.112 1.00 0.00 C ATOM 299 C LYS A 24 -6.170 1.179 10.947 1.00 0.00 C ATOM 300 O LYS A 24 -6.450 0.109 11.486 1.00 0.00 O ATOM 301 CB LYS A 24 -7.910 2.599 9.846 1.00 0.00 C ATOM 302 CG LYS A 24 -9.180 1.766 9.816 1.00 0.00 C ATOM 303 CD LYS A 24 -10.121 2.222 8.714 1.00 0.00 C ATOM 304 CE LYS A 24 -11.364 1.349 8.645 1.00 0.00 C ATOM 305 NZ LYS A 24 -11.063 -0.002 8.095 1.00 0.00 N ATOM 0 H LYS A 24 -6.434 4.357 10.737 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.740 2.222 11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.175 3.653 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.302 2.351 8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.924 0.717 9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.685 1.837 10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.412 3.258 8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.602 2.194 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.793 1.248 9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.115 1.835 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.950 -0.531 7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.584 0.096 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.445 -0.516 8.755 1.00 0.00 H new ATOM 319 N ALA A 25 -5.084 1.351 10.201 1.00 0.00 N ATOM 320 CA ALA A 25 -4.137 0.268 9.969 1.00 0.00 C ATOM 321 C ALA A 25 -3.872 -0.514 11.252 1.00 0.00 C ATOM 322 O ALA A 25 -4.130 -1.715 11.323 1.00 0.00 O ATOM 323 CB ALA A 25 -2.835 0.816 9.404 1.00 0.00 C ATOM 0 H ALA A 25 -4.838 2.231 9.747 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.576 -0.415 9.242 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.137 -0.005 9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.033 1.323 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.400 1.523 10.111 1.00 0.00 H new ATOM 329 N ALA A 26 -3.354 0.176 12.263 1.00 0.00 N ATOM 330 CA ALA A 26 -3.055 -0.453 13.543 1.00 0.00 C ATOM 331 C ALA A 26 -4.252 -1.246 14.058 1.00 0.00 C ATOM 332 O ALA A 26 -4.155 -2.451 14.290 1.00 0.00 O ATOM 333 CB ALA A 26 -2.637 0.597 14.562 1.00 0.00 C ATOM 0 H ALA A 26 -3.133 1.171 12.220 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.229 -1.148 13.394 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.417 0.113 15.514 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.748 1.117 14.205 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.446 1.314 14.699 1.00 0.00 H new ATOM 339 N GLN A 27 -5.378 -0.562 14.234 1.00 0.00 N ATOM 340 CA GLN A 27 -6.592 -1.204 14.722 1.00 0.00 C ATOM 341 C GLN A 27 -6.752 -2.597 14.122 1.00 0.00 C ATOM 342 O GLN A 27 -6.908 -3.580 14.844 1.00 0.00 O ATOM 343 CB GLN A 27 -7.816 -0.348 14.389 1.00 0.00 C ATOM 344 CG GLN A 27 -7.875 0.957 15.166 1.00 0.00 C ATOM 345 CD GLN A 27 -8.443 0.781 16.560 1.00 0.00 C ATOM 346 OE1 GLN A 27 -7.912 0.018 17.368 1.00 0.00 O ATOM 347 NE2 GLN A 27 -9.529 1.488 16.851 1.00 0.00 N ATOM 0 H GLN A 27 -5.474 0.436 14.046 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.510 -1.303 15.804 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.814 -0.126 13.322 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.718 -0.924 14.593 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.872 1.379 15.237 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.485 1.675 14.617 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.936 2.108 16.151 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.956 1.411 17.774 1.00 0.00 H new ATOM 356 N GLU A 28 -6.711 -2.671 12.795 1.00 0.00 N ATOM 357 CA GLU A 28 -6.853 -3.944 12.098 1.00 0.00 C ATOM 358 C GLU A 28 -5.807 -4.947 12.577 1.00 0.00 C ATOM 359 O GLU A 28 -6.140 -6.054 12.998 1.00 0.00 O ATOM 360 CB GLU A 28 -6.725 -3.741 10.587 1.00 0.00 C ATOM 361 CG GLU A 28 -7.784 -2.820 10.005 1.00 0.00 C ATOM 362 CD GLU A 28 -9.185 -3.386 10.136 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.792 -3.221 11.215 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.674 -3.994 9.161 1.00 0.00 O ATOM 0 H GLU A 28 -6.581 -1.866 12.182 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.843 -4.342 12.322 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.739 -3.332 10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.787 -4.710 10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.738 -1.855 10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.566 -2.641 8.952 1.00 0.00 H new ATOM 371 N ASP A 29 -4.541 -4.549 12.510 1.00 0.00 N ATOM 372 CA ASP A 29 -3.445 -5.411 12.937 1.00 0.00 C ATOM 373 C ASP A 29 -3.771 -6.086 14.266 1.00 0.00 C ATOM 374 O ASP A 29 -3.837 -7.312 14.353 1.00 0.00 O ATOM 375 CB ASP A 29 -2.152 -4.603 13.064 1.00 0.00 C ATOM 376 CG ASP A 29 -1.003 -5.432 13.604 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.282 -6.047 12.791 1.00 0.00 O ATOM 378 OD2 ASP A 29 -0.824 -5.463 14.839 1.00 0.00 O ATOM 0 H ASP A 29 -4.249 -3.635 12.164 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.308 -6.184 12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.880 -4.202 12.088 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.322 -3.751 13.722 1.00 0.00 H new ATOM 383 N LYS A 30 -3.972 -5.277 15.301 1.00 0.00 N ATOM 384 CA LYS A 30 -4.291 -5.794 16.626 1.00 0.00 C ATOM 385 C LYS A 30 -5.459 -6.772 16.562 1.00 0.00 C ATOM 386 O LYS A 30 -5.408 -7.854 17.147 1.00 0.00 O ATOM 387 CB LYS A 30 -4.627 -4.643 17.578 1.00 0.00 C ATOM 388 CG LYS A 30 -4.510 -5.014 19.046 1.00 0.00 C ATOM 389 CD LYS A 30 -4.832 -3.834 19.947 1.00 0.00 C ATOM 390 CE LYS A 30 -6.331 -3.689 20.162 1.00 0.00 C ATOM 391 NZ LYS A 30 -6.841 -4.655 21.174 1.00 0.00 N ATOM 0 H LYS A 30 -3.919 -4.260 15.247 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.416 -6.325 17.002 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.962 -3.805 17.370 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.643 -4.302 17.378 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.187 -5.838 19.269 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.500 -5.366 19.254 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.336 -3.964 20.909 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.437 -2.919 19.505 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.555 -2.672 20.485 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.850 -3.845 19.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.866 -4.525 21.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.650 -5.626 20.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.364 -4.490 22.083 1.00 0.00 H new ATOM 405 N ALA A 31 -6.510 -6.386 15.847 1.00 0.00 N ATOM 406 CA ALA A 31 -7.689 -7.231 15.703 1.00 0.00 C ATOM 407 C ALA A 31 -7.332 -8.568 15.064 1.00 0.00 C ATOM 408 O ALA A 31 -7.940 -9.594 15.366 1.00 0.00 O ATOM 409 CB ALA A 31 -8.752 -6.518 14.881 1.00 0.00 C ATOM 0 H ALA A 31 -6.569 -5.493 15.358 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.087 -7.429 16.698 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.627 -7.161 14.781 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.037 -5.592 15.380 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.355 -6.290 13.892 1.00 0.00 H new ATOM 415 N GLY A 32 -6.341 -8.549 14.178 1.00 0.00 N ATOM 416 CA GLY A 32 -5.920 -9.767 13.509 1.00 0.00 C ATOM 417 C GLY A 32 -5.977 -9.648 11.999 1.00 0.00 C ATOM 418 O GLY A 32 -5.914 -10.651 11.289 1.00 0.00 O ATOM 0 H GLY A 32 -5.822 -7.712 13.911 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.902 -10.012 13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.556 -10.592 13.830 1.00 0.00 H new ATOM 422 N ASN A 33 -6.098 -8.420 11.507 1.00 0.00 N ATOM 423 CA ASN A 33 -6.166 -8.174 10.071 1.00 0.00 C ATOM 424 C ASN A 33 -4.860 -7.575 9.560 1.00 0.00 C ATOM 425 O ASN A 33 -4.530 -6.428 9.862 1.00 0.00 O ATOM 426 CB ASN A 33 -7.331 -7.237 9.748 1.00 0.00 C ATOM 427 CG ASN A 33 -8.628 -7.987 9.510 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.627 -9.093 8.969 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.741 -7.386 9.913 1.00 0.00 N ATOM 0 H ASN A 33 -6.151 -7.579 12.082 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.327 -9.129 9.571 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.467 -6.534 10.570 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.087 -6.650 8.863 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.644 -7.841 9.779 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.693 -6.469 10.357 1.00 0.00 H new ATOM 436 N TYR A 34 -4.120 -8.359 8.783 1.00 0.00 N ATOM 437 CA TYR A 34 -2.849 -7.907 8.230 1.00 0.00 C ATOM 438 C TYR A 34 -3.029 -7.377 6.811 1.00 0.00 C ATOM 439 O TYR A 34 -2.491 -6.330 6.455 1.00 0.00 O ATOM 440 CB TYR A 34 -1.832 -9.050 8.234 1.00 0.00 C ATOM 441 CG TYR A 34 -1.225 -9.315 9.593 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.989 -9.211 10.750 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.113 -9.669 9.722 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.438 -9.452 11.994 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.671 -9.913 10.961 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.108 -9.803 12.094 1.00 0.00 C ATOM 447 OH TYR A 34 0.445 -10.044 13.331 1.00 0.00 O ATOM 0 H TYR A 34 -4.379 -9.311 8.522 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.478 -7.096 8.857 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.318 -9.959 7.879 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.035 -8.818 7.528 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.031 -8.937 10.675 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.727 -9.755 8.838 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.045 -9.366 12.883 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.712 -10.189 11.043 1.00 0.00 H new ATOM 0 HH TYR A 34 1.390 -10.281 13.226 1.00 0.00 H new ATOM 457 N GLU A 35 -3.792 -8.110 6.005 1.00 0.00 N ATOM 458 CA GLU A 35 -4.044 -7.714 4.625 1.00 0.00 C ATOM 459 C GLU A 35 -4.671 -6.324 4.563 1.00 0.00 C ATOM 460 O GLU A 35 -4.300 -5.502 3.726 1.00 0.00 O ATOM 461 CB GLU A 35 -4.960 -8.730 3.939 1.00 0.00 C ATOM 462 CG GLU A 35 -5.048 -8.550 2.432 1.00 0.00 C ATOM 463 CD GLU A 35 -5.791 -9.683 1.752 1.00 0.00 C ATOM 464 OE1 GLU A 35 -5.156 -10.716 1.454 1.00 0.00 O ATOM 465 OE2 GLU A 35 -7.009 -9.536 1.518 1.00 0.00 O ATOM 0 H GLU A 35 -4.245 -8.980 6.284 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.088 -7.686 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.600 -9.736 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.960 -8.651 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.549 -7.608 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.042 -8.481 2.019 1.00 0.00 H new ATOM 472 N GLU A 36 -5.624 -6.071 5.455 1.00 0.00 N ATOM 473 CA GLU A 36 -6.304 -4.782 5.500 1.00 0.00 C ATOM 474 C GLU A 36 -5.380 -3.699 6.049 1.00 0.00 C ATOM 475 O GLU A 36 -5.336 -2.584 5.530 1.00 0.00 O ATOM 476 CB GLU A 36 -7.566 -4.876 6.361 1.00 0.00 C ATOM 477 CG GLU A 36 -8.653 -3.895 5.956 1.00 0.00 C ATOM 478 CD GLU A 36 -9.594 -4.464 4.913 1.00 0.00 C ATOM 479 OE1 GLU A 36 -9.936 -5.661 5.012 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.988 -3.712 3.997 1.00 0.00 O ATOM 0 H GLU A 36 -5.942 -6.741 6.155 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.587 -4.513 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.962 -5.890 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.299 -4.700 7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.225 -3.608 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.191 -2.988 5.567 1.00 0.00 H new ATOM 487 N ALA A 37 -4.644 -4.036 7.103 1.00 0.00 N ATOM 488 CA ALA A 37 -3.720 -3.094 7.722 1.00 0.00 C ATOM 489 C ALA A 37 -2.635 -2.664 6.741 1.00 0.00 C ATOM 490 O ALA A 37 -2.259 -1.492 6.689 1.00 0.00 O ATOM 491 CB ALA A 37 -3.096 -3.707 8.967 1.00 0.00 C ATOM 0 H ALA A 37 -4.670 -4.954 7.546 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.284 -2.207 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.408 -2.992 9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.880 -3.957 9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.552 -4.611 8.694 1.00 0.00 H new ATOM 497 N LEU A 38 -2.134 -3.618 5.965 1.00 0.00 N ATOM 498 CA LEU A 38 -1.091 -3.338 4.985 1.00 0.00 C ATOM 499 C LEU A 38 -1.507 -2.203 4.055 1.00 0.00 C ATOM 500 O LEU A 38 -0.837 -1.173 3.980 1.00 0.00 O ATOM 501 CB LEU A 38 -0.781 -4.594 4.167 1.00 0.00 C ATOM 502 CG LEU A 38 0.204 -4.416 3.011 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.566 -3.984 3.532 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.322 -5.704 2.209 1.00 0.00 C ATOM 0 H LEU A 38 -2.433 -4.593 5.995 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.194 -3.032 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.386 -5.354 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.717 -4.981 3.764 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.175 -3.634 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.254 -3.862 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.469 -3.037 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.953 -4.743 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.027 -5.560 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.678 -6.505 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.654 -5.971 1.804 1.00 0.00 H new ATOM 516 N GLN A 39 -2.617 -2.398 3.351 1.00 0.00 N ATOM 517 CA GLN A 39 -3.123 -1.389 2.428 1.00 0.00 C ATOM 518 C GLN A 39 -3.201 -0.024 3.104 1.00 0.00 C ATOM 519 O GLN A 39 -2.669 0.964 2.595 1.00 0.00 O ATOM 520 CB GLN A 39 -4.503 -1.792 1.905 1.00 0.00 C ATOM 521 CG GLN A 39 -4.588 -3.246 1.472 1.00 0.00 C ATOM 522 CD GLN A 39 -5.593 -3.465 0.358 1.00 0.00 C ATOM 523 OE1 GLN A 39 -6.369 -2.570 0.021 1.00 0.00 O ATOM 524 NE2 GLN A 39 -5.584 -4.660 -0.221 1.00 0.00 N ATOM 0 H GLN A 39 -3.183 -3.245 3.402 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.431 -1.320 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.245 -1.609 2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.763 -1.154 1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.605 -3.581 1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.862 -3.861 2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.924 -5.372 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.237 -4.865 -0.977 1.00 0.00 H new ATOM 533 N LEU A 40 -3.868 0.026 4.252 1.00 0.00 N ATOM 534 CA LEU A 40 -4.016 1.271 4.998 1.00 0.00 C ATOM 535 C LEU A 40 -2.660 1.925 5.240 1.00 0.00 C ATOM 536 O LEU A 40 -2.479 3.115 4.981 1.00 0.00 O ATOM 537 CB LEU A 40 -4.714 1.008 6.333 1.00 0.00 C ATOM 538 CG LEU A 40 -6.206 0.679 6.258 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.640 -0.114 7.481 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.027 1.954 6.127 1.00 0.00 C ATOM 0 H LEU A 40 -4.315 -0.781 4.687 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.626 1.952 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.205 0.182 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.588 1.887 6.965 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.380 0.066 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.704 -0.339 7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.075 -1.045 7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.452 0.473 8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.086 1.701 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.848 2.592 6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.735 2.483 5.220 1.00 0.00 H new ATOM 552 N TYR A 41 -1.710 1.140 5.735 1.00 0.00 N ATOM 553 CA TYR A 41 -0.370 1.643 6.012 1.00 0.00 C ATOM 554 C TYR A 41 0.234 2.296 4.773 1.00 0.00 C ATOM 555 O TYR A 41 0.876 3.342 4.860 1.00 0.00 O ATOM 556 CB TYR A 41 0.534 0.508 6.496 1.00 0.00 C ATOM 557 CG TYR A 41 0.380 0.197 7.968 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.518 1.193 8.926 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.098 -1.093 8.400 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.379 0.914 10.272 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.044 -1.382 9.743 1.00 0.00 C ATOM 562 CZ TYR A 41 0.098 -0.375 10.676 1.00 0.00 C ATOM 563 OH TYR A 41 -0.041 -0.659 12.015 1.00 0.00 O ATOM 0 H TYR A 41 -1.843 0.152 5.953 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.448 2.396 6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.316 -0.390 5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.573 0.771 6.296 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.738 2.203 8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.012 -1.884 7.673 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.490 1.700 11.004 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.265 -2.390 10.061 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.238 -1.612 12.128 1.00 0.00 H new ATOM 573 N GLN A 42 0.022 1.670 3.619 1.00 0.00 N ATOM 574 CA GLN A 42 0.545 2.190 2.361 1.00 0.00 C ATOM 575 C GLN A 42 -0.198 3.455 1.944 1.00 0.00 C ATOM 576 O GLN A 42 0.416 4.438 1.526 1.00 0.00 O ATOM 577 CB GLN A 42 0.431 1.132 1.262 1.00 0.00 C ATOM 578 CG GLN A 42 1.140 -0.171 1.596 1.00 0.00 C ATOM 579 CD GLN A 42 1.373 -1.038 0.375 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.314 -0.817 -0.388 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.515 -2.033 0.183 1.00 0.00 N ATOM 0 H GLN A 42 -0.508 0.803 3.530 1.00 0.00 H new ATOM 0 HA GLN A 42 1.596 2.440 2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.623 0.925 1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.845 1.534 0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.097 0.051 2.067 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.548 -0.726 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.251 -2.180 0.841 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.622 -2.650 -0.622 1.00 0.00 H new ATOM 590 N HIS A 43 -1.521 3.424 2.061 1.00 0.00 N ATOM 591 CA HIS A 43 -2.348 4.569 1.696 1.00 0.00 C ATOM 592 C HIS A 43 -1.988 5.790 2.538 1.00 0.00 C ATOM 593 O HIS A 43 -1.616 6.835 2.006 1.00 0.00 O ATOM 594 CB HIS A 43 -3.829 4.233 1.871 1.00 0.00 C ATOM 595 CG HIS A 43 -4.411 3.473 0.719 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.709 4.057 -0.494 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.748 2.168 0.600 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.207 3.144 -1.309 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.240 1.989 -0.670 1.00 0.00 N ATOM 0 H HIS A 43 -2.044 2.619 2.406 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.158 4.803 0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.955 3.648 2.782 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.390 5.158 2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.649 1.409 1.362 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.532 3.314 -2.325 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.576 1.107 -1.057 1.00 0.00 H new ATOM 608 N ALA A 44 -2.102 5.648 3.855 1.00 0.00 N ATOM 609 CA ALA A 44 -1.788 6.738 4.770 1.00 0.00 C ATOM 610 C ALA A 44 -0.574 7.526 4.289 1.00 0.00 C ATOM 611 O ALA A 44 -0.599 8.756 4.239 1.00 0.00 O ATOM 612 CB ALA A 44 -1.547 6.197 6.172 1.00 0.00 C ATOM 0 H ALA A 44 -2.409 4.789 4.311 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.641 7.416 4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.313 7.022 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.443 5.684 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.712 5.497 6.153 1.00 0.00 H new ATOM 618 N VAL A 45 0.489 6.810 3.937 1.00 0.00 N ATOM 619 CA VAL A 45 1.713 7.442 3.460 1.00 0.00 C ATOM 620 C VAL A 45 1.472 8.191 2.154 1.00 0.00 C ATOM 621 O VAL A 45 1.876 9.344 2.006 1.00 0.00 O ATOM 622 CB VAL A 45 2.833 6.406 3.245 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.079 7.075 2.685 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.146 5.683 4.547 1.00 0.00 C ATOM 0 H VAL A 45 0.527 5.791 3.973 1.00 0.00 H new ATOM 0 HA VAL A 45 2.024 8.149 4.229 1.00 0.00 H new ATOM 0 HB VAL A 45 2.488 5.669 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.859 6.328 2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.842 7.543 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.430 7.834 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.939 4.955 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.471 6.406 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.252 5.170 4.902 1.00 0.00 H new ATOM 634 N GLN A 46 0.810 7.528 1.212 1.00 0.00 N ATOM 635 CA GLN A 46 0.515 8.132 -0.082 1.00 0.00 C ATOM 636 C GLN A 46 -0.133 9.502 0.091 1.00 0.00 C ATOM 637 O GLN A 46 0.144 10.431 -0.668 1.00 0.00 O ATOM 638 CB GLN A 46 -0.404 7.220 -0.897 1.00 0.00 C ATOM 639 CG GLN A 46 0.246 5.908 -1.304 1.00 0.00 C ATOM 640 CD GLN A 46 1.310 6.089 -2.369 1.00 0.00 C ATOM 641 OE1 GLN A 46 1.191 6.951 -3.241 1.00 0.00 O ATOM 642 NE2 GLN A 46 2.357 5.276 -2.305 1.00 0.00 N ATOM 0 H GLN A 46 0.468 6.573 1.320 1.00 0.00 H new ATOM 0 HA GLN A 46 1.456 8.260 -0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.300 7.006 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.726 7.750 -1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.692 5.440 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.520 5.227 -1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.415 4.576 -1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.104 5.351 -2.995 1.00 0.00 H new ATOM 651 N TYR A 47 -0.995 9.620 1.094 1.00 0.00 N ATOM 652 CA TYR A 47 -1.685 10.876 1.366 1.00 0.00 C ATOM 653 C TYR A 47 -0.773 11.848 2.109 1.00 0.00 C ATOM 654 O TYR A 47 -0.651 13.014 1.732 1.00 0.00 O ATOM 655 CB TYR A 47 -2.951 10.620 2.184 1.00 0.00 C ATOM 656 CG TYR A 47 -4.053 9.943 1.400 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.945 10.685 0.637 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.201 8.562 1.424 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.954 10.071 -0.081 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.206 7.939 0.708 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.079 8.698 -0.042 1.00 0.00 C ATOM 662 OH TYR A 47 -7.082 8.082 -0.755 1.00 0.00 O ATOM 0 H TYR A 47 -1.233 8.861 1.733 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.962 11.323 0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.698 10.002 3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.322 11.569 2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.849 11.760 0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.519 7.965 2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.640 10.663 -0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.307 6.864 0.736 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.031 7.113 -0.621 1.00 0.00 H new ATOM 672 N PHE A 48 -0.135 11.359 3.167 1.00 0.00 N ATOM 673 CA PHE A 48 0.766 12.183 3.964 1.00 0.00 C ATOM 674 C PHE A 48 1.788 12.888 3.076 1.00 0.00 C ATOM 675 O PHE A 48 2.220 14.003 3.373 1.00 0.00 O ATOM 676 CB PHE A 48 1.486 11.326 5.008 1.00 0.00 C ATOM 677 CG PHE A 48 0.718 11.173 6.290 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.243 12.285 6.965 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.473 9.917 6.820 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.464 12.148 8.145 1.00 0.00 C ATOM 681 CE2 PHE A 48 -0.234 9.773 7.999 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.702 10.890 8.663 1.00 0.00 C ATOM 0 H PHE A 48 -0.225 10.396 3.492 1.00 0.00 H new ATOM 0 HA PHE A 48 0.170 12.940 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.676 10.339 4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.456 11.772 5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.427 13.271 6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.839 9.040 6.306 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.830 13.023 8.661 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.420 8.788 8.401 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.253 10.780 9.585 1.00 0.00 H new ATOM 692 N LEU A 49 2.169 12.230 1.987 1.00 0.00 N ATOM 693 CA LEU A 49 3.141 12.792 1.055 1.00 0.00 C ATOM 694 C LEU A 49 2.515 13.906 0.222 1.00 0.00 C ATOM 695 O LEU A 49 2.949 15.057 0.279 1.00 0.00 O ATOM 696 CB LEU A 49 3.687 11.699 0.136 1.00 0.00 C ATOM 697 CG LEU A 49 4.648 10.699 0.780 1.00 0.00 C ATOM 698 CD1 LEU A 49 4.978 9.575 -0.190 1.00 0.00 C ATOM 699 CD2 LEU A 49 5.919 11.400 1.238 1.00 0.00 C ATOM 0 H LEU A 49 1.820 11.307 1.727 1.00 0.00 H new ATOM 0 HA LEU A 49 3.962 13.214 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.844 11.147 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.198 12.177 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 49 4.160 10.266 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.663 8.873 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.062 9.055 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.446 9.990 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.591 10.673 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.410 11.860 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.667 12.169 1.968 1.00 0.00 H new ATOM 711 N HIS A 50 1.490 13.557 -0.549 1.00 0.00 N ATOM 712 CA HIS A 50 0.802 14.529 -1.392 1.00 0.00 C ATOM 713 C HIS A 50 0.613 15.851 -0.654 1.00 0.00 C ATOM 714 O HIS A 50 0.557 16.915 -1.270 1.00 0.00 O ATOM 715 CB HIS A 50 -0.554 13.980 -1.836 1.00 0.00 C ATOM 716 CG HIS A 50 -1.143 14.710 -3.004 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.572 14.705 -4.259 1.00 0.00 N ATOM 718 CD2 HIS A 50 -2.259 15.469 -3.103 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.311 15.432 -5.079 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.341 15.906 -4.402 1.00 0.00 N ATOM 0 H HIS A 50 1.118 12.609 -0.608 1.00 0.00 H new ATOM 0 HA HIS A 50 1.418 14.710 -2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.443 12.927 -2.095 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.249 14.031 -0.998 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.956 15.690 -2.308 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.107 15.608 -6.125 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.078 16.500 -4.782 1.00 0.00 H new ATOM 729 N VAL A 51 0.514 15.775 0.669 1.00 0.00 N ATOM 730 CA VAL A 51 0.331 16.965 1.491 1.00 0.00 C ATOM 731 C VAL A 51 1.634 17.743 1.629 1.00 0.00 C ATOM 732 O VAL A 51 1.661 18.964 1.471 1.00 0.00 O ATOM 733 CB VAL A 51 -0.189 16.603 2.895 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.184 17.827 3.799 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.584 16.001 2.808 1.00 0.00 C ATOM 0 H VAL A 51 0.557 14.902 1.195 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.409 17.587 0.987 1.00 0.00 H new ATOM 0 HB VAL A 51 0.478 15.858 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.555 17.552 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.833 18.210 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.826 18.597 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.936 15.751 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.264 16.722 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.553 15.098 2.198 1.00 0.00 H new ATOM 745 N VAL A 52 2.715 17.029 1.925 1.00 0.00 N ATOM 746 CA VAL A 52 4.024 17.651 2.083 1.00 0.00 C ATOM 747 C VAL A 52 4.599 18.072 0.735 1.00 0.00 C ATOM 748 O VAL A 52 5.466 18.943 0.661 1.00 0.00 O ATOM 749 CB VAL A 52 5.018 16.702 2.778 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.418 17.294 2.770 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.564 16.405 4.200 1.00 0.00 C ATOM 0 H VAL A 52 2.710 16.018 2.060 1.00 0.00 H new ATOM 0 HA VAL A 52 3.880 18.534 2.706 1.00 0.00 H new ATOM 0 HB VAL A 52 5.044 15.763 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.106 16.609 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.741 17.451 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.413 18.248 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.278 15.733 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.508 17.335 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.581 15.934 4.177 1.00 0.00 H new ATOM 761 N LYS A 53 4.110 17.447 -0.331 1.00 0.00 N ATOM 762 CA LYS A 53 4.573 17.757 -1.679 1.00 0.00 C ATOM 763 C LYS A 53 4.406 19.242 -1.984 1.00 0.00 C ATOM 764 O LYS A 53 5.387 19.977 -2.094 1.00 0.00 O ATOM 765 CB LYS A 53 3.805 16.924 -2.708 1.00 0.00 C ATOM 766 CG LYS A 53 4.421 15.561 -2.969 1.00 0.00 C ATOM 767 CD LYS A 53 4.153 15.091 -4.389 1.00 0.00 C ATOM 768 CE LYS A 53 2.755 14.506 -4.528 1.00 0.00 C ATOM 769 NZ LYS A 53 2.632 13.194 -3.836 1.00 0.00 N ATOM 0 H LYS A 53 3.393 16.723 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 53 5.633 17.509 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.780 16.790 -2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.755 17.477 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.496 15.608 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.016 14.836 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.269 15.927 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.892 14.341 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.027 15.204 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.516 14.383 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.687 12.797 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.355 12.541 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.768 13.327 -2.814 1.00 0.00 H new ATOM 783 N TYR A 54 3.158 19.677 -2.118 1.00 0.00 N ATOM 784 CA TYR A 54 2.862 21.074 -2.411 1.00 0.00 C ATOM 785 C TYR A 54 2.098 21.722 -1.260 1.00 0.00 C ATOM 786 O TYR A 54 2.252 22.913 -0.992 1.00 0.00 O ATOM 787 CB TYR A 54 2.052 21.186 -3.703 1.00 0.00 C ATOM 788 CG TYR A 54 2.405 20.136 -4.732 1.00 0.00 C ATOM 789 CD1 TYR A 54 2.043 18.806 -4.549 1.00 0.00 C ATOM 790 CD2 TYR A 54 3.101 20.472 -5.886 1.00 0.00 C ATOM 791 CE1 TYR A 54 2.364 17.843 -5.486 1.00 0.00 C ATOM 792 CE2 TYR A 54 3.425 19.516 -6.829 1.00 0.00 C ATOM 793 CZ TYR A 54 3.055 18.203 -6.625 1.00 0.00 C ATOM 794 OH TYR A 54 3.377 17.248 -7.561 1.00 0.00 O ATOM 0 H TYR A 54 2.335 19.082 -2.028 1.00 0.00 H new ATOM 0 HA TYR A 54 3.808 21.600 -2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.991 21.107 -3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.209 22.174 -4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.502 18.521 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.394 21.499 -6.049 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.076 16.814 -5.328 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.965 19.795 -7.721 1.00 0.00 H new ATOM 0 HH TYR A 54 3.862 17.667 -8.302 1.00 0.00 H new ATOM 804 N GLU A 55 1.274 20.928 -0.584 1.00 0.00 N ATOM 805 CA GLU A 55 0.486 21.424 0.538 1.00 0.00 C ATOM 806 C GLU A 55 1.324 21.475 1.812 1.00 0.00 C ATOM 807 O GLU A 55 0.797 21.667 2.907 1.00 0.00 O ATOM 808 CB GLU A 55 -0.743 20.539 0.758 1.00 0.00 C ATOM 809 CG GLU A 55 -1.955 20.968 -0.051 1.00 0.00 C ATOM 810 CD GLU A 55 -2.435 22.360 0.312 1.00 0.00 C ATOM 811 OE1 GLU A 55 -3.008 22.522 1.410 1.00 0.00 O ATOM 812 OE2 GLU A 55 -2.238 23.287 -0.501 1.00 0.00 O ATOM 0 H GLU A 55 1.135 19.939 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 55 0.158 22.436 0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.490 19.510 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.002 20.548 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.708 20.938 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.764 20.255 0.108 1.00 0.00 H new ATOM 819 N ALA A 56 2.633 21.301 1.660 1.00 0.00 N ATOM 820 CA ALA A 56 3.545 21.329 2.796 1.00 0.00 C ATOM 821 C ALA A 56 3.183 22.451 3.763 1.00 0.00 C ATOM 822 O ALA A 56 2.556 23.437 3.376 1.00 0.00 O ATOM 823 CB ALA A 56 4.981 21.484 2.318 1.00 0.00 C ATOM 0 H ALA A 56 3.085 21.139 0.760 1.00 0.00 H new ATOM 0 HA ALA A 56 3.452 20.382 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.651 21.503 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.242 20.645 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.080 22.415 1.760 1.00 0.00 H new ATOM 829 N GLN A 57 3.582 22.294 5.021 1.00 0.00 N ATOM 830 CA GLN A 57 3.298 23.295 6.043 1.00 0.00 C ATOM 831 C GLN A 57 4.568 24.036 6.446 1.00 0.00 C ATOM 832 O GLN A 57 4.688 25.243 6.237 1.00 0.00 O ATOM 833 CB GLN A 57 2.667 22.636 7.270 1.00 0.00 C ATOM 834 CG GLN A 57 1.332 21.968 6.983 1.00 0.00 C ATOM 835 CD GLN A 57 1.484 20.653 6.244 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.891 20.452 5.184 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.282 19.750 6.800 1.00 0.00 N ATOM 0 H GLN A 57 4.103 21.484 5.357 1.00 0.00 H new ATOM 0 HA GLN A 57 2.596 24.016 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.358 21.893 7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.528 23.389 8.045 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.808 21.794 7.923 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.712 22.643 6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.754 19.959 7.680 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.424 18.847 6.347 1.00 0.00 H new ATOM 846 N GLY A 58 5.516 23.306 7.027 1.00 0.00 N ATOM 847 CA GLY A 58 6.764 23.912 7.451 1.00 0.00 C ATOM 848 C GLY A 58 7.812 22.881 7.823 1.00 0.00 C ATOM 849 O GLY A 58 7.492 21.714 8.049 1.00 0.00 O ATOM 0 H GLY A 58 5.441 22.306 7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.148 24.544 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.577 24.561 8.307 1.00 0.00 H new ATOM 853 N ASP A 59 9.067 23.312 7.885 1.00 0.00 N ATOM 854 CA ASP A 59 10.166 22.418 8.231 1.00 0.00 C ATOM 855 C ASP A 59 9.774 21.494 9.380 1.00 0.00 C ATOM 856 O ASP A 59 9.860 20.272 9.266 1.00 0.00 O ATOM 857 CB ASP A 59 11.408 23.225 8.610 1.00 0.00 C ATOM 858 CG ASP A 59 11.085 24.389 9.526 1.00 0.00 C ATOM 859 OD1 ASP A 59 10.541 25.400 9.032 1.00 0.00 O ATOM 860 OD2 ASP A 59 11.375 24.290 10.737 1.00 0.00 O ATOM 0 H ASP A 59 9.349 24.275 7.700 1.00 0.00 H new ATOM 0 HA ASP A 59 10.393 21.806 7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.128 22.570 9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.884 23.601 7.704 1.00 0.00 H new ATOM 865 N LYS A 60 9.344 22.088 10.489 1.00 0.00 N ATOM 866 CA LYS A 60 8.938 21.320 11.660 1.00 0.00 C ATOM 867 C LYS A 60 7.818 20.345 11.310 1.00 0.00 C ATOM 868 O LYS A 60 7.898 19.157 11.619 1.00 0.00 O ATOM 869 CB LYS A 60 8.480 22.260 12.778 1.00 0.00 C ATOM 870 CG LYS A 60 8.723 21.710 14.172 1.00 0.00 C ATOM 871 CD LYS A 60 7.559 20.856 14.646 1.00 0.00 C ATOM 872 CE LYS A 60 6.493 21.697 15.332 1.00 0.00 C ATOM 873 NZ LYS A 60 6.832 21.970 16.756 1.00 0.00 N ATOM 0 H LYS A 60 9.268 23.099 10.601 1.00 0.00 H new ATOM 0 HA LYS A 60 9.799 20.748 12.005 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.000 23.212 12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.416 22.464 12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.637 21.115 14.175 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.877 22.535 14.868 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.120 20.333 13.796 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.923 20.094 15.336 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.377 22.641 14.799 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.534 21.181 15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.081 22.546 17.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.918 21.071 17.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.734 22.485 16.806 1.00 0.00 H new ATOM 887 N ALA A 61 6.775 20.856 10.663 1.00 0.00 N ATOM 888 CA ALA A 61 5.642 20.029 10.269 1.00 0.00 C ATOM 889 C ALA A 61 6.093 18.852 9.411 1.00 0.00 C ATOM 890 O ALA A 61 5.961 17.694 9.808 1.00 0.00 O ATOM 891 CB ALA A 61 4.613 20.866 9.522 1.00 0.00 C ATOM 0 H ALA A 61 6.692 21.838 10.401 1.00 0.00 H new ATOM 0 HA ALA A 61 5.183 19.630 11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.772 20.236 9.233 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.260 21.670 10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.070 21.293 8.629 1.00 0.00 H new ATOM 897 N LYS A 62 6.624 19.155 8.231 1.00 0.00 N ATOM 898 CA LYS A 62 7.096 18.123 7.316 1.00 0.00 C ATOM 899 C LYS A 62 7.799 17.002 8.076 1.00 0.00 C ATOM 900 O LYS A 62 7.340 15.860 8.078 1.00 0.00 O ATOM 901 CB LYS A 62 8.048 18.726 6.281 1.00 0.00 C ATOM 902 CG LYS A 62 7.406 19.798 5.416 1.00 0.00 C ATOM 903 CD LYS A 62 8.429 20.812 4.934 1.00 0.00 C ATOM 904 CE LYS A 62 7.767 21.961 4.190 1.00 0.00 C ATOM 905 NZ LYS A 62 8.769 22.903 3.619 1.00 0.00 N ATOM 0 H LYS A 62 6.738 20.108 7.886 1.00 0.00 H new ATOM 0 HA LYS A 62 6.230 17.704 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.908 19.154 6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.425 17.930 5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.922 19.332 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.627 20.307 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.986 21.202 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.150 20.321 4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.144 21.564 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.107 22.501 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.278 23.672 3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.347 23.302 4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.383 22.394 2.952 1.00 0.00 H new ATOM 919 N GLN A 63 8.912 17.337 8.720 1.00 0.00 N ATOM 920 CA GLN A 63 9.676 16.358 9.483 1.00 0.00 C ATOM 921 C GLN A 63 8.749 15.424 10.253 1.00 0.00 C ATOM 922 O GLN A 63 8.950 14.210 10.270 1.00 0.00 O ATOM 923 CB GLN A 63 10.627 17.065 10.452 1.00 0.00 C ATOM 924 CG GLN A 63 11.609 18.000 9.766 1.00 0.00 C ATOM 925 CD GLN A 63 12.827 17.275 9.228 1.00 0.00 C ATOM 926 OE1 GLN A 63 12.854 16.859 8.069 1.00 0.00 O ATOM 927 NE2 GLN A 63 13.843 17.120 10.068 1.00 0.00 N ATOM 0 H GLN A 63 9.304 18.278 8.729 1.00 0.00 H new ATOM 0 HA GLN A 63 10.260 15.763 8.781 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.041 17.633 11.174 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.184 16.315 11.014 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.105 18.513 8.947 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.929 18.766 10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.777 17.481 11.020 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.689 16.640 9.762 1.00 0.00 H new ATOM 936 N SER A 64 7.733 15.998 10.890 1.00 0.00 N ATOM 937 CA SER A 64 6.777 15.217 11.665 1.00 0.00 C ATOM 938 C SER A 64 6.087 14.177 10.788 1.00 0.00 C ATOM 939 O SER A 64 6.144 12.979 11.066 1.00 0.00 O ATOM 940 CB SER A 64 5.733 16.136 12.303 1.00 0.00 C ATOM 941 OG SER A 64 5.162 15.538 13.454 1.00 0.00 O ATOM 0 H SER A 64 7.551 17.002 10.884 1.00 0.00 H new ATOM 0 HA SER A 64 7.324 14.698 12.452 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.196 17.085 12.574 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.950 16.359 11.579 1.00 0.00 H new ATOM 0 HG SER A 64 4.500 16.146 13.844 1.00 0.00 H new ATOM 947 N ILE A 65 5.435 14.644 9.729 1.00 0.00 N ATOM 948 CA ILE A 65 4.735 13.756 8.810 1.00 0.00 C ATOM 949 C ILE A 65 5.679 12.705 8.235 1.00 0.00 C ATOM 950 O ILE A 65 5.406 11.506 8.304 1.00 0.00 O ATOM 951 CB ILE A 65 4.090 14.538 7.651 1.00 0.00 C ATOM 952 CG1 ILE A 65 2.974 15.444 8.177 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.551 13.580 6.600 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.593 16.552 7.220 1.00 0.00 C ATOM 0 H ILE A 65 5.377 15.633 9.486 1.00 0.00 H new ATOM 0 HA ILE A 65 3.951 13.263 9.385 1.00 0.00 H new ATOM 0 HB ILE A 65 4.852 15.164 7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.093 14.837 8.387 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.290 15.884 9.123 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.098 14.148 5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.367 12.974 6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.801 12.930 7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.797 17.154 7.658 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.461 17.183 7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.246 16.119 6.282 1.00 0.00 H new ATOM 966 N ARG A 66 6.791 13.162 7.670 1.00 0.00 N ATOM 967 CA ARG A 66 7.776 12.261 7.084 1.00 0.00 C ATOM 968 C ARG A 66 8.143 11.147 8.060 1.00 0.00 C ATOM 969 O ARG A 66 8.139 9.970 7.702 1.00 0.00 O ATOM 970 CB ARG A 66 9.033 13.037 6.683 1.00 0.00 C ATOM 971 CG ARG A 66 8.829 13.949 5.484 1.00 0.00 C ATOM 972 CD ARG A 66 9.970 14.945 5.342 1.00 0.00 C ATOM 973 NE ARG A 66 9.842 15.754 4.133 1.00 0.00 N ATOM 974 CZ ARG A 66 10.564 16.844 3.898 1.00 0.00 C ATOM 975 NH1 ARG A 66 11.461 17.252 4.785 1.00 0.00 N ATOM 976 NH2 ARG A 66 10.390 17.528 2.775 1.00 0.00 N ATOM 0 H ARG A 66 7.033 14.151 7.605 1.00 0.00 H new ATOM 0 HA ARG A 66 7.336 11.810 6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.367 13.635 7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.831 12.329 6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.753 13.349 4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.887 14.486 5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.992 15.598 6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.919 14.409 5.321 1.00 0.00 H new ATOM 0 HE ARG A 66 9.161 15.466 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.598 16.729 5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.014 18.089 4.603 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.701 17.217 2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.945 18.365 2.596 1.00 0.00 H new ATOM 990 N ALA A 67 8.460 11.528 9.293 1.00 0.00 N ATOM 991 CA ALA A 67 8.828 10.562 10.320 1.00 0.00 C ATOM 992 C ALA A 67 7.838 9.403 10.363 1.00 0.00 C ATOM 993 O ALA A 67 8.227 8.246 10.527 1.00 0.00 O ATOM 994 CB ALA A 67 8.907 11.241 11.679 1.00 0.00 C ATOM 0 H ALA A 67 8.469 12.499 9.605 1.00 0.00 H new ATOM 0 HA ALA A 67 9.809 10.159 10.070 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.183 10.508 12.437 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.658 12.031 11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.937 11.672 11.927 1.00 0.00 H new ATOM 1000 N LYS A 68 6.556 9.720 10.215 1.00 0.00 N ATOM 1001 CA LYS A 68 5.509 8.705 10.236 1.00 0.00 C ATOM 1002 C LYS A 68 5.575 7.830 8.989 1.00 0.00 C ATOM 1003 O LYS A 68 5.436 6.609 9.068 1.00 0.00 O ATOM 1004 CB LYS A 68 4.132 9.366 10.336 1.00 0.00 C ATOM 1005 CG LYS A 68 3.662 9.578 11.765 1.00 0.00 C ATOM 1006 CD LYS A 68 4.412 10.716 12.436 1.00 0.00 C ATOM 1007 CE LYS A 68 5.673 10.222 13.128 1.00 0.00 C ATOM 1008 NZ LYS A 68 6.055 11.092 14.274 1.00 0.00 N ATOM 0 H LYS A 68 6.217 10.672 10.079 1.00 0.00 H new ATOM 0 HA LYS A 68 5.667 8.073 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.162 10.329 9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.403 8.749 9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.593 9.793 11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.805 8.660 12.336 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.675 11.468 11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.763 11.201 13.164 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.517 9.203 13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.492 10.188 12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.919 10.721 14.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.229 12.059 13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.284 11.104 14.972 1.00 0.00 H new ATOM 1022 N CYS A 69 5.788 8.461 7.839 1.00 0.00 N ATOM 1023 CA CYS A 69 5.873 7.738 6.575 1.00 0.00 C ATOM 1024 C CYS A 69 6.887 6.603 6.664 1.00 0.00 C ATOM 1025 O CYS A 69 6.633 5.491 6.200 1.00 0.00 O ATOM 1026 CB CYS A 69 6.256 8.693 5.443 1.00 0.00 C ATOM 1027 SG CYS A 69 4.921 9.796 4.924 1.00 0.00 S ATOM 0 H CYS A 69 5.905 9.471 7.756 1.00 0.00 H new ATOM 0 HA CYS A 69 4.894 7.309 6.364 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.107 9.295 5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.584 8.108 4.584 1.00 0.00 H new ATOM 0 HG CYS A 69 5.342 10.566 3.965 1.00 0.00 H new ATOM 1033 N THR A 70 8.038 6.891 7.263 1.00 0.00 N ATOM 1034 CA THR A 70 9.093 5.895 7.411 1.00 0.00 C ATOM 1035 C THR A 70 8.676 4.792 8.378 1.00 0.00 C ATOM 1036 O THR A 70 8.933 3.613 8.136 1.00 0.00 O ATOM 1037 CB THR A 70 10.402 6.534 7.913 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.861 7.512 6.973 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.476 5.476 8.117 1.00 0.00 C ATOM 0 H THR A 70 8.264 7.806 7.654 1.00 0.00 H new ATOM 0 HA THR A 70 9.262 5.465 6.424 1.00 0.00 H new ATOM 0 HB THR A 70 10.202 7.016 8.870 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.692 7.915 7.300 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.391 5.950 8.472 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.135 4.749 8.854 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.672 4.970 7.172 1.00 0.00 H new ATOM 1047 N GLU A 71 8.030 5.183 9.472 1.00 0.00 N ATOM 1048 CA GLU A 71 7.578 4.226 10.474 1.00 0.00 C ATOM 1049 C GLU A 71 6.530 3.282 9.892 1.00 0.00 C ATOM 1050 O GLU A 71 6.695 2.062 9.918 1.00 0.00 O ATOM 1051 CB GLU A 71 7.002 4.958 11.688 1.00 0.00 C ATOM 1052 CG GLU A 71 6.405 4.030 12.732 1.00 0.00 C ATOM 1053 CD GLU A 71 7.417 3.047 13.286 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.245 3.458 14.126 1.00 0.00 O ATOM 1055 OE2 GLU A 71 7.382 1.866 12.880 1.00 0.00 O ATOM 0 H GLU A 71 7.808 6.155 9.686 1.00 0.00 H new ATOM 0 HA GLU A 71 8.439 3.636 10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.790 5.552 12.151 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.234 5.654 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.996 4.624 13.549 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.574 3.480 12.291 1.00 0.00 H new ATOM 1062 N TYR A 72 5.453 3.855 9.368 1.00 0.00 N ATOM 1063 CA TYR A 72 4.376 3.066 8.781 1.00 0.00 C ATOM 1064 C TYR A 72 4.894 2.206 7.633 1.00 0.00 C ATOM 1065 O TYR A 72 4.463 1.066 7.451 1.00 0.00 O ATOM 1066 CB TYR A 72 3.257 3.982 8.282 1.00 0.00 C ATOM 1067 CG TYR A 72 2.621 4.812 9.374 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.376 4.271 10.630 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.264 6.135 9.150 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.794 5.024 11.631 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.683 6.897 10.145 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.449 6.337 11.384 1.00 0.00 C ATOM 1073 OH TYR A 72 0.869 7.091 12.378 1.00 0.00 O ATOM 0 H TYR A 72 5.302 4.863 9.337 1.00 0.00 H new ATOM 0 HA TYR A 72 3.980 2.408 9.554 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.658 4.648 7.518 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.488 3.375 7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.645 3.244 10.827 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.444 6.576 8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.610 4.588 12.602 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.413 7.925 9.954 1.00 0.00 H new ATOM 0 HH TYR A 72 0.689 7.994 12.041 1.00 0.00 H new ATOM 1083 N LEU A 73 5.823 2.758 6.861 1.00 0.00 N ATOM 1084 CA LEU A 73 6.403 2.043 5.730 1.00 0.00 C ATOM 1085 C LEU A 73 7.141 0.792 6.197 1.00 0.00 C ATOM 1086 O LEU A 73 7.001 -0.280 5.607 1.00 0.00 O ATOM 1087 CB LEU A 73 7.359 2.955 4.959 1.00 0.00 C ATOM 1088 CG LEU A 73 6.715 3.897 3.942 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.691 4.989 3.532 1.00 0.00 C ATOM 1090 CD2 LEU A 73 6.239 3.120 2.723 1.00 0.00 C ATOM 0 H LEU A 73 6.191 3.699 6.998 1.00 0.00 H new ATOM 0 HA LEU A 73 5.591 1.739 5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.916 3.555 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.084 2.330 4.437 1.00 0.00 H new ATOM 0 HG LEU A 73 5.850 4.368 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.215 5.650 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.983 5.564 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.576 4.537 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.783 3.806 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.088 2.621 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.505 2.375 3.030 1.00 0.00 H new ATOM 1102 N ASP A 74 7.924 0.936 7.260 1.00 0.00 N ATOM 1103 CA ASP A 74 8.681 -0.183 7.809 1.00 0.00 C ATOM 1104 C ASP A 74 7.747 -1.293 8.279 1.00 0.00 C ATOM 1105 O ASP A 74 8.009 -2.475 8.055 1.00 0.00 O ATOM 1106 CB ASP A 74 9.558 0.288 8.970 1.00 0.00 C ATOM 1107 CG ASP A 74 10.668 -0.692 9.292 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.527 -1.883 8.944 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.678 -0.270 9.893 1.00 0.00 O ATOM 0 H ASP A 74 8.051 1.817 7.759 1.00 0.00 H new ATOM 0 HA ASP A 74 9.319 -0.580 7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.993 1.257 8.723 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.938 0.433 9.854 1.00 0.00 H new ATOM 1114 N ARG A 75 6.657 -0.905 8.933 1.00 0.00 N ATOM 1115 CA ARG A 75 5.685 -1.868 9.437 1.00 0.00 C ATOM 1116 C ARG A 75 5.099 -2.696 8.297 1.00 0.00 C ATOM 1117 O ARG A 75 5.209 -3.922 8.287 1.00 0.00 O ATOM 1118 CB ARG A 75 4.562 -1.147 10.186 1.00 0.00 C ATOM 1119 CG ARG A 75 3.448 -2.071 10.649 1.00 0.00 C ATOM 1120 CD ARG A 75 3.904 -2.965 11.792 1.00 0.00 C ATOM 1121 NE ARG A 75 2.803 -3.315 12.685 1.00 0.00 N ATOM 1122 CZ ARG A 75 2.936 -4.119 13.734 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.115 -4.653 14.019 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.887 -4.391 14.500 1.00 0.00 N ATOM 0 H ARG A 75 6.425 0.069 9.126 1.00 0.00 H new ATOM 0 HA ARG A 75 6.199 -2.539 10.125 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.983 -0.637 11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.140 -0.379 9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.591 -1.478 10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.115 -2.688 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.345 -3.875 11.386 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.684 -2.458 12.360 1.00 0.00 H new ATOM 0 HE ARG A 75 1.882 -2.921 12.493 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.923 -4.447 13.432 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.214 -5.270 14.825 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.978 -3.983 14.283 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.990 -5.008 15.305 1.00 0.00 H new ATOM 1138 N ALA A 76 4.477 -2.018 7.338 1.00 0.00 N ATOM 1139 CA ALA A 76 3.876 -2.691 6.193 1.00 0.00 C ATOM 1140 C ALA A 76 4.837 -3.709 5.588 1.00 0.00 C ATOM 1141 O ALA A 76 4.452 -4.839 5.292 1.00 0.00 O ATOM 1142 CB ALA A 76 3.453 -1.673 5.145 1.00 0.00 C ATOM 0 H ALA A 76 4.376 -1.003 7.331 1.00 0.00 H new ATOM 0 HA ALA A 76 2.992 -3.227 6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.006 -2.190 4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.724 -0.987 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.325 -1.112 4.810 1.00 0.00 H new ATOM 1148 N GLU A 77 6.088 -3.299 5.406 1.00 0.00 N ATOM 1149 CA GLU A 77 7.103 -4.176 4.834 1.00 0.00 C ATOM 1150 C GLU A 77 7.042 -5.563 5.466 1.00 0.00 C ATOM 1151 O GLU A 77 7.205 -6.576 4.786 1.00 0.00 O ATOM 1152 CB GLU A 77 8.497 -3.575 5.028 1.00 0.00 C ATOM 1153 CG GLU A 77 8.771 -2.374 4.139 1.00 0.00 C ATOM 1154 CD GLU A 77 9.078 -2.767 2.707 1.00 0.00 C ATOM 1155 OE1 GLU A 77 8.620 -3.846 2.276 1.00 0.00 O ATOM 1156 OE2 GLU A 77 9.777 -1.995 2.017 1.00 0.00 O ATOM 0 H GLU A 77 6.423 -2.366 5.646 1.00 0.00 H new ATOM 0 HA GLU A 77 6.903 -4.273 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.614 -3.279 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.245 -4.342 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.906 -1.712 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.611 -1.810 4.545 1.00 0.00 H new ATOM 1163 N LYS A 78 6.807 -5.601 6.773 1.00 0.00 N ATOM 1164 CA LYS A 78 6.724 -6.863 7.500 1.00 0.00 C ATOM 1165 C LYS A 78 5.445 -7.612 7.143 1.00 0.00 C ATOM 1166 O LYS A 78 5.478 -8.803 6.827 1.00 0.00 O ATOM 1167 CB LYS A 78 6.776 -6.610 9.008 1.00 0.00 C ATOM 1168 CG LYS A 78 8.166 -6.273 9.521 1.00 0.00 C ATOM 1169 CD LYS A 78 9.069 -7.494 9.528 1.00 0.00 C ATOM 1170 CE LYS A 78 10.519 -7.114 9.787 1.00 0.00 C ATOM 1171 NZ LYS A 78 11.206 -6.668 8.544 1.00 0.00 N ATOM 0 H LYS A 78 6.670 -4.772 7.351 1.00 0.00 H new ATOM 0 HA LYS A 78 7.577 -7.478 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.099 -5.792 9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.410 -7.495 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.607 -5.497 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.094 -5.867 10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.732 -8.192 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.992 -8.010 8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.558 -6.317 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.049 -7.969 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.192 -6.418 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.191 -7.437 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.716 -5.837 8.156 1.00 0.00 H new ATOM 1185 N LEU A 79 4.319 -6.909 7.194 1.00 0.00 N ATOM 1186 CA LEU A 79 3.027 -7.509 6.874 1.00 0.00 C ATOM 1187 C LEU A 79 3.102 -8.299 5.572 1.00 0.00 C ATOM 1188 O LEU A 79 2.496 -9.364 5.444 1.00 0.00 O ATOM 1189 CB LEU A 79 1.953 -6.425 6.766 1.00 0.00 C ATOM 1190 CG LEU A 79 1.611 -5.687 8.061 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.457 -4.723 7.837 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.275 -6.678 9.167 1.00 0.00 C ATOM 0 H LEU A 79 4.274 -5.924 7.454 1.00 0.00 H new ATOM 0 HA LEU A 79 2.762 -8.195 7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.279 -5.691 6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.042 -6.882 6.380 1.00 0.00 H new ATOM 0 HG LEU A 79 2.483 -5.111 8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.228 -4.207 8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.735 -3.993 7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.421 -5.277 7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.034 -6.135 10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.418 -7.281 8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.132 -7.328 9.346 1.00 0.00 H new ATOM 1204 N LYS A 80 3.849 -7.773 4.608 1.00 0.00 N ATOM 1205 CA LYS A 80 4.006 -8.430 3.316 1.00 0.00 C ATOM 1206 C LYS A 80 4.715 -9.772 3.470 1.00 0.00 C ATOM 1207 O LYS A 80 4.195 -10.808 3.060 1.00 0.00 O ATOM 1208 CB LYS A 80 4.793 -7.533 2.357 1.00 0.00 C ATOM 1209 CG LYS A 80 4.213 -6.136 2.217 1.00 0.00 C ATOM 1210 CD LYS A 80 5.224 -5.169 1.625 1.00 0.00 C ATOM 1211 CE LYS A 80 4.866 -3.725 1.941 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.960 -2.787 1.565 1.00 0.00 N ATOM 0 H LYS A 80 4.356 -6.892 4.697 1.00 0.00 H new ATOM 0 HA LYS A 80 3.013 -8.609 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.823 -7.457 2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.824 -8.005 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.327 -6.171 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.892 -5.775 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.216 -5.393 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.270 -5.305 0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.955 -3.452 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.654 -3.628 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.010 -2.015 2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.866 -3.298 1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.769 -2.391 0.622 1.00 0.00 H new ATOM 1226 N GLU A 81 5.903 -9.743 4.066 1.00 0.00 N ATOM 1227 CA GLU A 81 6.682 -10.958 4.275 1.00 0.00 C ATOM 1228 C GLU A 81 5.887 -11.981 5.081 1.00 0.00 C ATOM 1229 O GLU A 81 6.218 -13.167 5.097 1.00 0.00 O ATOM 1230 CB GLU A 81 7.993 -10.633 4.993 1.00 0.00 C ATOM 1231 CG GLU A 81 8.623 -9.325 4.547 1.00 0.00 C ATOM 1232 CD GLU A 81 10.129 -9.312 4.724 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.811 -10.120 4.059 1.00 0.00 O ATOM 1234 OE2 GLU A 81 10.626 -8.495 5.527 1.00 0.00 O ATOM 0 H GLU A 81 6.347 -8.892 4.412 1.00 0.00 H new ATOM 0 HA GLU A 81 6.908 -11.387 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.809 -10.590 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.701 -11.444 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.383 -9.149 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.187 -8.504 5.116 1.00 0.00 H new ATOM 1241 N TYR A 82 4.839 -11.514 5.750 1.00 0.00 N ATOM 1242 CA TYR A 82 3.999 -12.386 6.561 1.00 0.00 C ATOM 1243 C TYR A 82 2.786 -12.866 5.769 1.00 0.00 C ATOM 1244 O TYR A 82 2.302 -13.981 5.966 1.00 0.00 O ATOM 1245 CB TYR A 82 3.540 -11.657 7.825 1.00 0.00 C ATOM 1246 CG TYR A 82 2.229 -12.168 8.378 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.022 -11.833 7.779 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.199 -12.988 9.499 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -0.178 -12.298 8.281 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.003 -13.459 10.008 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.182 -13.110 9.395 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.376 -13.577 9.898 1.00 0.00 O ATOM 0 H TYR A 82 4.551 -10.536 5.746 1.00 0.00 H new ATOM 0 HA TYR A 82 4.592 -13.255 6.846 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.310 -11.755 8.590 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.442 -10.594 7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.021 -11.198 6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.126 -13.262 9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.108 -12.027 7.803 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.997 -14.096 10.880 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.203 -14.137 10.684 1.00 0.00 H new ATOM 1262 N LEU A 83 2.300 -12.015 4.872 1.00 0.00 N ATOM 1263 CA LEU A 83 1.144 -12.350 4.048 1.00 0.00 C ATOM 1264 C LEU A 83 1.533 -13.309 2.928 1.00 0.00 C ATOM 1265 O LEU A 83 0.832 -14.284 2.658 1.00 0.00 O ATOM 1266 CB LEU A 83 0.529 -11.080 3.457 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.230 -10.184 4.436 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.393 -8.785 3.863 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.587 -10.787 4.770 1.00 0.00 C ATOM 0 H LEU A 83 2.688 -11.088 4.697 1.00 0.00 H new ATOM 0 HA LEU A 83 0.407 -12.842 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.326 -10.493 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.152 -11.369 2.657 1.00 0.00 H new ATOM 0 HG LEU A 83 0.350 -10.112 5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.936 -8.162 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.590 -8.352 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.950 -8.838 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.113 -10.136 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.174 -10.890 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.447 -11.768 5.224 1.00 0.00 H new ATOM 1281 N LYS A 84 2.658 -13.026 2.278 1.00 0.00 N ATOM 1282 CA LYS A 84 3.144 -13.864 1.189 1.00 0.00 C ATOM 1283 C LYS A 84 3.474 -15.268 1.688 1.00 0.00 C ATOM 1284 O LYS A 84 3.288 -16.250 0.971 1.00 0.00 O ATOM 1285 CB LYS A 84 4.383 -13.235 0.548 1.00 0.00 C ATOM 1286 CG LYS A 84 5.592 -13.199 1.467 1.00 0.00 C ATOM 1287 CD LYS A 84 6.871 -12.919 0.696 1.00 0.00 C ATOM 1288 CE LYS A 84 6.952 -11.463 0.263 1.00 0.00 C ATOM 1289 NZ LYS A 84 8.275 -11.137 -0.337 1.00 0.00 N ATOM 0 H LYS A 84 3.250 -12.222 2.487 1.00 0.00 H new ATOM 0 HA LYS A 84 2.354 -13.939 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.638 -13.793 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.144 -12.218 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.449 -12.431 2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.682 -14.152 1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.733 -13.164 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.917 -13.564 -0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.164 -11.255 -0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.774 -10.818 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.291 -10.136 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.025 -11.312 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.434 -11.735 -1.173 1.00 0.00 H new ATOM 1303 N ASN A 85 3.962 -15.353 2.921 1.00 0.00 N ATOM 1304 CA ASN A 85 4.316 -16.637 3.515 1.00 0.00 C ATOM 1305 C ASN A 85 3.068 -17.396 3.954 1.00 0.00 C ATOM 1306 O ASN A 85 3.117 -18.601 4.205 1.00 0.00 O ATOM 1307 CB ASN A 85 5.247 -16.428 4.712 1.00 0.00 C ATOM 1308 CG ASN A 85 5.292 -17.638 5.626 1.00 0.00 C ATOM 1309 OD1 ASN A 85 5.578 -18.752 5.186 1.00 0.00 O ATOM 1310 ND2 ASN A 85 5.010 -17.423 6.906 1.00 0.00 N ATOM 0 H ASN A 85 4.121 -14.549 3.528 1.00 0.00 H new ATOM 0 HA ASN A 85 4.832 -17.229 2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.253 -16.209 4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.915 -15.559 5.280 1.00 0.00 H new ATOM 0 HD21 ASN A 85 5.025 -18.198 7.569 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.778 -16.483 7.226 1.00 0.00 H new ATOM 1317 N LYS A 86 1.950 -16.685 4.042 1.00 0.00 N ATOM 1318 CA LYS A 86 0.687 -17.290 4.448 1.00 0.00 C ATOM 1319 C LYS A 86 -0.017 -17.931 3.256 1.00 0.00 C ATOM 1320 O LYS A 86 -0.307 -19.127 3.265 1.00 0.00 O ATOM 1321 CB LYS A 86 -0.224 -16.240 5.087 1.00 0.00 C ATOM 1322 CG LYS A 86 -1.386 -16.834 5.864 1.00 0.00 C ATOM 1323 CD LYS A 86 -2.155 -15.765 6.622 1.00 0.00 C ATOM 1324 CE LYS A 86 -3.097 -15.000 5.705 1.00 0.00 C ATOM 1325 NZ LYS A 86 -3.591 -13.746 6.338 1.00 0.00 N ATOM 0 H LYS A 86 1.892 -15.687 3.837 1.00 0.00 H new ATOM 0 HA LYS A 86 0.905 -18.067 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.368 -15.616 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.616 -15.588 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.058 -17.349 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.012 -17.581 6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.726 -16.228 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.454 -15.071 7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.582 -14.759 4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.945 -15.634 5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.230 -13.254 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.104 -13.977 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.784 -13.130 6.563 1.00 0.00 H new ATOM 1339 N GLU A 87 -0.288 -17.127 2.232 1.00 0.00 N ATOM 1340 CA GLU A 87 -0.957 -17.618 1.033 1.00 0.00 C ATOM 1341 C GLU A 87 -0.323 -18.919 0.550 1.00 0.00 C ATOM 1342 O GLU A 87 0.890 -19.106 0.647 1.00 0.00 O ATOM 1343 CB GLU A 87 -0.898 -16.566 -0.077 1.00 0.00 C ATOM 1344 CG GLU A 87 -1.615 -16.984 -1.350 1.00 0.00 C ATOM 1345 CD GLU A 87 -3.121 -17.033 -1.182 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -3.634 -18.081 -0.736 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -3.787 -16.025 -1.497 1.00 0.00 O ATOM 0 H GLU A 87 -0.055 -16.134 2.209 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.000 -17.814 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.337 -15.638 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.145 -16.354 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.365 -16.286 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.256 -17.965 -1.659 1.00 0.00 H new ATOM 1354 N LYS A 88 -1.153 -19.817 0.030 1.00 0.00 N ATOM 1355 CA LYS A 88 -0.676 -21.101 -0.469 1.00 0.00 C ATOM 1356 C LYS A 88 0.102 -20.925 -1.769 1.00 0.00 C ATOM 1357 O LYS A 88 -0.485 -20.759 -2.839 1.00 0.00 O ATOM 1358 CB LYS A 88 -1.853 -22.054 -0.692 1.00 0.00 C ATOM 1359 CG LYS A 88 -1.474 -23.522 -0.596 1.00 0.00 C ATOM 1360 CD LYS A 88 -2.402 -24.392 -1.427 1.00 0.00 C ATOM 1361 CE LYS A 88 -2.545 -25.783 -0.828 1.00 0.00 C ATOM 1362 NZ LYS A 88 -3.326 -26.691 -1.714 1.00 0.00 N ATOM 0 H LYS A 88 -2.160 -19.679 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.008 -21.527 0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.628 -21.839 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.284 -21.862 -1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.447 -23.657 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.510 -23.841 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.382 -23.920 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.016 -24.470 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.556 -26.207 -0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.036 -25.712 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.401 -27.629 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.278 -26.299 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.844 -26.780 -2.632 1.00 0.00 H new ATOM 1376 N LYS A 89 1.426 -20.963 -1.671 1.00 0.00 N ATOM 1377 CA LYS A 89 2.286 -20.810 -2.838 1.00 0.00 C ATOM 1378 C LYS A 89 3.297 -21.948 -2.922 1.00 0.00 C ATOM 1379 O LYS A 89 3.543 -22.646 -1.939 1.00 0.00 O ATOM 1380 CB LYS A 89 3.017 -19.466 -2.787 1.00 0.00 C ATOM 1381 CG LYS A 89 2.110 -18.271 -3.019 1.00 0.00 C ATOM 1382 CD LYS A 89 2.877 -17.091 -3.592 1.00 0.00 C ATOM 1383 CE LYS A 89 3.567 -16.291 -2.497 1.00 0.00 C ATOM 1384 NZ LYS A 89 4.057 -14.976 -2.997 1.00 0.00 N ATOM 0 H LYS A 89 1.928 -21.099 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 89 1.657 -20.840 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.500 -19.361 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.807 -19.463 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.307 -18.550 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.643 -17.980 -2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.619 -17.450 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.194 -16.444 -4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.873 -16.130 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.405 -16.865 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.781 -14.606 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.469 -15.097 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.263 -14.306 -3.048 1.00 0.00 H new ATOM 1398 N ALA A 90 3.882 -22.129 -4.102 1.00 0.00 N ATOM 1399 CA ALA A 90 4.869 -23.180 -4.312 1.00 0.00 C ATOM 1400 C ALA A 90 6.260 -22.720 -3.887 1.00 0.00 C ATOM 1401 O ALA A 90 6.506 -21.525 -3.729 1.00 0.00 O ATOM 1402 CB ALA A 90 4.878 -23.612 -5.771 1.00 0.00 C ATOM 0 H ALA A 90 3.689 -21.561 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 90 4.592 -24.033 -3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.620 -24.398 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.893 -23.990 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.128 -22.759 -6.402 1.00 0.00 H new ATOM 1408 N GLN A 91 7.164 -23.677 -3.704 1.00 0.00 N ATOM 1409 CA GLN A 91 8.529 -23.369 -3.295 1.00 0.00 C ATOM 1410 C GLN A 91 9.222 -22.489 -4.331 1.00 0.00 C ATOM 1411 O GLN A 91 9.728 -22.980 -5.340 1.00 0.00 O ATOM 1412 CB GLN A 91 9.326 -24.658 -3.090 1.00 0.00 C ATOM 1413 CG GLN A 91 10.803 -24.424 -2.815 1.00 0.00 C ATOM 1414 CD GLN A 91 11.526 -25.688 -2.395 1.00 0.00 C ATOM 1415 OE1 GLN A 91 11.749 -25.925 -1.208 1.00 0.00 O ATOM 1416 NE2 GLN A 91 11.897 -26.510 -3.371 1.00 0.00 N ATOM 0 H GLN A 91 6.976 -24.671 -3.832 1.00 0.00 H new ATOM 0 HA GLN A 91 8.484 -22.824 -2.352 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.894 -25.214 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.225 -25.283 -3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.276 -24.020 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.908 -23.673 -2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.692 -26.274 -4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.387 -27.377 -3.149 1.00 0.00 H new ATOM 1425 N LYS A 92 9.241 -21.185 -4.074 1.00 0.00 N ATOM 1426 CA LYS A 92 9.872 -20.235 -4.983 1.00 0.00 C ATOM 1427 C LYS A 92 11.286 -20.681 -5.340 1.00 0.00 C ATOM 1428 O LYS A 92 11.994 -21.286 -4.534 1.00 0.00 O ATOM 1429 CB LYS A 92 9.908 -18.842 -4.351 1.00 0.00 C ATOM 1430 CG LYS A 92 10.888 -18.723 -3.196 1.00 0.00 C ATOM 1431 CD LYS A 92 12.271 -18.320 -3.678 1.00 0.00 C ATOM 1432 CE LYS A 92 12.418 -16.808 -3.751 1.00 0.00 C ATOM 1433 NZ LYS A 92 13.558 -16.403 -4.619 1.00 0.00 N ATOM 0 H LYS A 92 8.827 -20.762 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 92 9.281 -20.197 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.171 -18.112 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.909 -18.587 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.522 -17.986 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.948 -19.675 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.025 -18.728 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 92 12.455 -18.752 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.496 -16.372 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.566 -16.409 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.287 -15.573 -5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.379 -16.165 -4.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.806 -17.188 -5.255 1.00 0.00 H new ATOM 1447 N PRO A 93 11.710 -20.374 -6.574 1.00 0.00 N ATOM 1448 CA PRO A 93 13.045 -20.731 -7.065 1.00 0.00 C ATOM 1449 C PRO A 93 14.148 -19.931 -6.381 1.00 0.00 C ATOM 1450 O PRO A 93 14.051 -18.711 -6.246 1.00 0.00 O ATOM 1451 CB PRO A 93 12.979 -20.387 -8.555 1.00 0.00 C ATOM 1452 CG PRO A 93 11.930 -19.334 -8.654 1.00 0.00 C ATOM 1453 CD PRO A 93 10.920 -19.653 -7.587 1.00 0.00 C ATOM 0 HA PRO A 93 13.287 -21.775 -6.865 1.00 0.00 H new ATOM 0 HB2 PRO A 93 13.940 -20.024 -8.921 1.00 0.00 H new ATOM 0 HB3 PRO A 93 12.720 -21.261 -9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.357 -18.343 -8.503 1.00 0.00 H new ATOM 0 HG3 PRO A 93 11.468 -19.335 -9.641 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.470 -18.749 -7.177 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.107 -20.267 -7.974 1.00 0.00 H new ATOM 1461 N VAL A 94 15.196 -20.625 -5.950 1.00 0.00 N ATOM 1462 CA VAL A 94 16.319 -19.978 -5.281 1.00 0.00 C ATOM 1463 C VAL A 94 17.385 -19.552 -6.284 1.00 0.00 C ATOM 1464 O VAL A 94 17.715 -20.295 -7.210 1.00 0.00 O ATOM 1465 CB VAL A 94 16.958 -20.907 -4.232 1.00 0.00 C ATOM 1466 CG1 VAL A 94 17.454 -22.189 -4.885 1.00 0.00 C ATOM 1467 CG2 VAL A 94 18.091 -20.194 -3.509 1.00 0.00 C ATOM 0 H VAL A 94 15.291 -21.635 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 94 15.923 -19.095 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 94 16.199 -21.173 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.902 -22.833 -4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.616 -22.707 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 94 18.199 -21.947 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.531 -20.865 -2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 94 18.853 -19.897 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 94 17.702 -19.308 -3.007 1.00 0.00 H new ATOM 1477 N LYS A 95 17.922 -18.352 -6.094 1.00 0.00 N ATOM 1478 CA LYS A 95 18.954 -17.826 -6.980 1.00 0.00 C ATOM 1479 C LYS A 95 20.317 -18.421 -6.642 1.00 0.00 C ATOM 1480 O LYS A 95 20.485 -19.059 -5.604 1.00 0.00 O ATOM 1481 CB LYS A 95 19.012 -16.300 -6.880 1.00 0.00 C ATOM 1482 CG LYS A 95 19.734 -15.641 -8.042 1.00 0.00 C ATOM 1483 CD LYS A 95 19.199 -14.244 -8.310 1.00 0.00 C ATOM 1484 CE LYS A 95 17.815 -14.287 -8.937 1.00 0.00 C ATOM 1485 NZ LYS A 95 17.881 -14.382 -10.422 1.00 0.00 N ATOM 0 H LYS A 95 17.660 -17.725 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 95 18.698 -18.107 -8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 95 17.996 -15.909 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 95 19.510 -16.024 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 95 20.801 -15.588 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.620 -16.253 -8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 95 19.159 -13.683 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 95 19.883 -13.712 -8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.264 -15.141 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.261 -13.392 -8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.917 -14.409 -10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.384 -13.555 -10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.388 -15.249 -10.692 1.00 0.00 H new ATOM 1499 N GLU A 96 21.287 -18.206 -7.525 1.00 0.00 N ATOM 1500 CA GLU A 96 22.636 -18.721 -7.319 1.00 0.00 C ATOM 1501 C GLU A 96 23.552 -17.638 -6.756 1.00 0.00 C ATOM 1502 O GLU A 96 23.458 -16.472 -7.135 1.00 0.00 O ATOM 1503 CB GLU A 96 23.208 -19.257 -8.633 1.00 0.00 C ATOM 1504 CG GLU A 96 23.496 -18.173 -9.658 1.00 0.00 C ATOM 1505 CD GLU A 96 23.659 -18.725 -11.061 1.00 0.00 C ATOM 1506 OE1 GLU A 96 23.103 -19.808 -11.339 1.00 0.00 O ATOM 1507 OE2 GLU A 96 24.342 -18.075 -11.879 1.00 0.00 O ATOM 0 H GLU A 96 21.164 -17.679 -8.390 1.00 0.00 H new ATOM 0 HA GLU A 96 22.580 -19.536 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 96 24.129 -19.801 -8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 96 22.505 -19.972 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 96 22.684 -17.446 -9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 96 24.404 -17.641 -9.373 1.00 0.00 H new ATOM 1514 N GLY A 97 24.437 -18.034 -5.847 1.00 0.00 N ATOM 1515 CA GLY A 97 25.357 -17.086 -5.245 1.00 0.00 C ATOM 1516 C GLY A 97 24.676 -16.172 -4.246 1.00 0.00 C ATOM 1517 O GLY A 97 24.148 -15.124 -4.615 1.00 0.00 O ATOM 0 H GLY A 97 24.534 -18.994 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 97 26.160 -17.630 -4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 97 25.818 -16.484 -6.028 1.00 0.00 H new ATOM 1521 N GLN A 98 24.688 -16.570 -2.978 1.00 0.00 N ATOM 1522 CA GLN A 98 24.064 -15.780 -1.924 1.00 0.00 C ATOM 1523 C GLN A 98 25.110 -14.987 -1.147 1.00 0.00 C ATOM 1524 O GLN A 98 26.231 -15.445 -0.922 1.00 0.00 O ATOM 1525 CB GLN A 98 23.283 -16.687 -0.971 1.00 0.00 C ATOM 1526 CG GLN A 98 24.160 -17.668 -0.210 1.00 0.00 C ATOM 1527 CD GLN A 98 24.668 -17.101 1.101 1.00 0.00 C ATOM 1528 OE1 GLN A 98 25.773 -16.562 1.170 1.00 0.00 O ATOM 1529 NE2 GLN A 98 23.863 -17.221 2.150 1.00 0.00 N ATOM 0 H GLN A 98 25.123 -17.435 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 98 23.374 -15.077 -2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 98 22.740 -16.068 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 98 22.539 -17.244 -1.541 1.00 0.00 H new ATOM 0 HG2 GLN A 98 23.594 -18.578 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 98 25.009 -17.949 -0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 98 22.955 -17.675 2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 98 24.152 -16.859 3.059 1.00 0.00 H new ATOM 1538 N PRO A 99 24.738 -13.769 -0.727 1.00 0.00 N ATOM 1539 CA PRO A 99 25.630 -12.886 0.032 1.00 0.00 C ATOM 1540 C PRO A 99 25.892 -13.401 1.443 1.00 0.00 C ATOM 1541 O PRO A 99 27.039 -13.488 1.879 1.00 0.00 O ATOM 1542 CB PRO A 99 24.863 -11.562 0.078 1.00 0.00 C ATOM 1543 CG PRO A 99 23.432 -11.948 -0.068 1.00 0.00 C ATOM 1544 CD PRO A 99 23.418 -13.159 -0.959 1.00 0.00 C ATOM 0 HA PRO A 99 26.615 -12.807 -0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 99 25.037 -11.036 1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 99 25.177 -10.895 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 99 22.987 -12.172 0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 99 22.851 -11.136 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 99 22.609 -13.841 -0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 99 23.280 -12.886 -2.005 1.00 0.00 H new ATOM 1552 N SER A 100 24.820 -13.741 2.152 1.00 0.00 N ATOM 1553 CA SER A 100 24.934 -14.244 3.516 1.00 0.00 C ATOM 1554 C SER A 100 23.607 -14.829 3.992 1.00 0.00 C ATOM 1555 O SER A 100 22.536 -14.499 3.483 1.00 0.00 O ATOM 1556 CB SER A 100 25.378 -13.124 4.460 1.00 0.00 C ATOM 1557 OG SER A 100 26.788 -12.990 4.463 1.00 0.00 O ATOM 0 H SER A 100 23.863 -13.677 1.804 1.00 0.00 H new ATOM 0 HA SER A 100 25.684 -15.035 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 100 24.921 -12.183 4.154 1.00 0.00 H new ATOM 0 HB3 SER A 100 25.027 -13.335 5.470 1.00 0.00 H new ATOM 0 HG SER A 100 27.131 -13.126 3.555 1.00 0.00 H new ATOM 1563 N PRO A 101 23.680 -15.719 4.992 1.00 0.00 N ATOM 1564 CA PRO A 101 22.495 -16.370 5.560 1.00 0.00 C ATOM 1565 C PRO A 101 21.626 -15.401 6.355 1.00 0.00 C ATOM 1566 O PRO A 101 22.135 -14.564 7.099 1.00 0.00 O ATOM 1567 CB PRO A 101 23.085 -17.439 6.483 1.00 0.00 C ATOM 1568 CG PRO A 101 24.434 -16.922 6.847 1.00 0.00 C ATOM 1569 CD PRO A 101 24.923 -16.159 5.647 1.00 0.00 C ATOM 0 HA PRO A 101 21.840 -16.770 4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 101 22.465 -17.585 7.367 1.00 0.00 H new ATOM 0 HB3 PRO A 101 23.153 -18.403 5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 101 24.381 -16.277 7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 101 25.112 -17.739 7.093 1.00 0.00 H new ATOM 0 HD2 PRO A 101 25.546 -15.313 5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 101 25.523 -16.787 4.989 1.00 0.00 H new ATOM 1577 N ALA A 102 20.313 -15.521 6.191 1.00 0.00 N ATOM 1578 CA ALA A 102 19.374 -14.657 6.896 1.00 0.00 C ATOM 1579 C ALA A 102 19.115 -15.164 8.310 1.00 0.00 C ATOM 1580 O ALA A 102 18.984 -16.368 8.534 1.00 0.00 O ATOM 1581 CB ALA A 102 18.067 -14.556 6.122 1.00 0.00 C ATOM 0 H ALA A 102 19.875 -16.208 5.577 1.00 0.00 H new ATOM 0 HA ALA A 102 19.818 -13.664 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.375 -13.908 6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.261 -14.139 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.628 -15.548 6.018 1.00 0.00 H new ATOM 1587 N ASP A 103 19.045 -14.240 9.261 1.00 0.00 N ATOM 1588 CA ASP A 103 18.802 -14.594 10.655 1.00 0.00 C ATOM 1589 C ASP A 103 17.647 -15.583 10.771 1.00 0.00 C ATOM 1590 O ASP A 103 16.618 -15.430 10.113 1.00 0.00 O ATOM 1591 CB ASP A 103 18.500 -13.339 11.477 1.00 0.00 C ATOM 1592 CG ASP A 103 19.495 -12.225 11.220 1.00 0.00 C ATOM 1593 OD1 ASP A 103 19.396 -11.573 10.159 1.00 0.00 O ATOM 1594 OD2 ASP A 103 20.373 -12.005 12.080 1.00 0.00 O ATOM 0 H ASP A 103 19.153 -13.240 9.093 1.00 0.00 H new ATOM 0 HA ASP A 103 19.703 -15.067 11.046 1.00 0.00 H new ATOM 0 HB2 ASP A 103 17.496 -12.987 11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 103 18.508 -13.592 12.537 1.00 0.00 H new ATOM 1599 N GLU A 104 17.825 -16.598 11.611 1.00 0.00 N ATOM 1600 CA GLU A 104 16.798 -17.613 11.811 1.00 0.00 C ATOM 1601 C GLU A 104 15.747 -17.135 12.808 1.00 0.00 C ATOM 1602 O GLU A 104 16.076 -16.580 13.857 1.00 0.00 O ATOM 1603 CB GLU A 104 17.428 -18.918 12.303 1.00 0.00 C ATOM 1604 CG GLU A 104 18.021 -18.819 13.699 1.00 0.00 C ATOM 1605 CD GLU A 104 18.498 -20.158 14.227 1.00 0.00 C ATOM 1606 OE1 GLU A 104 19.429 -20.735 13.628 1.00 0.00 O ATOM 1607 OE2 GLU A 104 17.938 -20.629 15.239 1.00 0.00 O ATOM 0 H GLU A 104 18.671 -16.739 12.164 1.00 0.00 H new ATOM 0 HA GLU A 104 16.310 -17.792 10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 104 16.672 -19.703 12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.210 -19.220 11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.857 -18.119 13.686 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.274 -18.410 14.379 1.00 0.00 H new ATOM 1614 N LYS A 105 14.480 -17.354 12.474 1.00 0.00 N ATOM 1615 CA LYS A 105 13.379 -16.947 13.339 1.00 0.00 C ATOM 1616 C LYS A 105 12.670 -18.163 13.926 1.00 0.00 C ATOM 1617 O LYS A 105 11.676 -18.638 13.379 1.00 0.00 O ATOM 1618 CB LYS A 105 12.380 -16.089 12.558 1.00 0.00 C ATOM 1619 CG LYS A 105 11.642 -15.079 13.420 1.00 0.00 C ATOM 1620 CD LYS A 105 10.476 -15.719 14.154 1.00 0.00 C ATOM 1621 CE LYS A 105 9.264 -15.875 13.248 1.00 0.00 C ATOM 1622 NZ LYS A 105 8.404 -14.660 13.258 1.00 0.00 N ATOM 0 H LYS A 105 14.190 -17.811 11.610 1.00 0.00 H new ATOM 0 HA LYS A 105 13.792 -16.359 14.158 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.910 -15.560 11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.653 -16.742 12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 105 12.332 -14.642 14.142 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.277 -14.264 12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.776 -16.696 14.533 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.210 -15.110 15.018 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.596 -16.077 12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.679 -16.737 13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.589 -14.806 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.067 -14.482 14.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.955 -13.842 12.927 1.00 0.00 H new ATOM 1636 N GLY A 106 13.187 -18.662 15.044 1.00 0.00 N ATOM 1637 CA GLY A 106 12.590 -19.817 15.687 1.00 0.00 C ATOM 1638 C GLY A 106 12.390 -19.614 17.176 1.00 0.00 C ATOM 1639 O GLY A 106 13.163 -18.908 17.822 1.00 0.00 O ATOM 0 H GLY A 106 14.009 -18.286 15.516 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.629 -20.032 15.221 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.225 -20.688 15.524 1.00 0.00 H new ATOM 1643 N ASN A 107 11.348 -20.232 17.722 1.00 0.00 N ATOM 1644 CA ASN A 107 11.047 -20.113 19.144 1.00 0.00 C ATOM 1645 C ASN A 107 11.148 -21.469 19.837 1.00 0.00 C ATOM 1646 O ASN A 107 10.985 -22.513 19.206 1.00 0.00 O ATOM 1647 CB ASN A 107 9.647 -19.530 19.343 1.00 0.00 C ATOM 1648 CG ASN A 107 9.654 -18.014 19.397 1.00 0.00 C ATOM 1649 OD1 ASN A 107 9.123 -17.347 18.509 1.00 0.00 O ATOM 1650 ND2 ASN A 107 10.259 -17.463 20.443 1.00 0.00 N ATOM 0 H ASN A 107 10.698 -20.820 17.201 1.00 0.00 H new ATOM 0 HA ASN A 107 11.780 -19.441 19.590 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.000 -19.859 18.529 1.00 0.00 H new ATOM 0 HB3 ASN A 107 9.221 -19.922 20.267 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.297 -16.448 20.534 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.686 -18.055 21.155 1.00 0.00 H new ATOM 1657 N ASP A 108 11.418 -21.443 21.137 1.00 0.00 N ATOM 1658 CA ASP A 108 11.539 -22.670 21.917 1.00 0.00 C ATOM 1659 C ASP A 108 10.197 -23.061 22.527 1.00 0.00 C ATOM 1660 O ASP A 108 9.212 -22.333 22.403 1.00 0.00 O ATOM 1661 CB ASP A 108 12.584 -22.497 23.020 1.00 0.00 C ATOM 1662 CG ASP A 108 12.478 -21.152 23.712 1.00 0.00 C ATOM 1663 OD1 ASP A 108 11.707 -21.047 24.689 1.00 0.00 O ATOM 1664 OD2 ASP A 108 13.167 -20.206 23.278 1.00 0.00 O ATOM 0 H ASP A 108 11.557 -20.587 21.673 1.00 0.00 H new ATOM 0 HA ASP A 108 11.859 -23.468 21.246 1.00 0.00 H new ATOM 0 HB2 ASP A 108 12.466 -23.292 23.757 1.00 0.00 H new ATOM 0 HB3 ASP A 108 13.581 -22.605 22.592 1.00 0.00 H new ATOM 1669 N SER A 109 10.166 -24.214 23.187 1.00 0.00 N ATOM 1670 CA SER A 109 8.944 -24.705 23.813 1.00 0.00 C ATOM 1671 C SER A 109 9.091 -24.749 25.331 1.00 0.00 C ATOM 1672 O SER A 109 10.079 -25.262 25.855 1.00 0.00 O ATOM 1673 CB SER A 109 8.597 -26.097 23.282 1.00 0.00 C ATOM 1674 OG SER A 109 7.262 -26.448 23.604 1.00 0.00 O ATOM 0 H SER A 109 10.974 -24.826 23.302 1.00 0.00 H new ATOM 0 HA SER A 109 8.136 -24.017 23.563 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.732 -26.121 22.201 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.282 -26.832 23.705 1.00 0.00 H new ATOM 0 HG SER A 109 7.065 -27.341 23.252 1.00 0.00 H new ATOM 1680 N ASP A 110 8.100 -24.207 26.030 1.00 0.00 N ATOM 1681 CA ASP A 110 8.116 -24.184 27.488 1.00 0.00 C ATOM 1682 C ASP A 110 6.698 -24.127 28.047 1.00 0.00 C ATOM 1683 O ASP A 110 5.754 -23.783 27.338 1.00 0.00 O ATOM 1684 CB ASP A 110 8.925 -22.987 27.992 1.00 0.00 C ATOM 1685 CG ASP A 110 8.083 -21.733 28.119 1.00 0.00 C ATOM 1686 OD1 ASP A 110 7.375 -21.593 29.138 1.00 0.00 O ATOM 1687 OD2 ASP A 110 8.132 -20.890 27.199 1.00 0.00 O ATOM 0 H ASP A 110 7.275 -23.778 25.611 1.00 0.00 H new ATOM 0 HA ASP A 110 8.587 -25.103 27.836 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.361 -23.229 28.962 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.753 -22.798 27.309 1.00 0.00 H new ATOM 1692 N GLY A 111 6.556 -24.469 29.324 1.00 0.00 N ATOM 1693 CA GLY A 111 5.250 -24.452 29.956 1.00 0.00 C ATOM 1694 C GLY A 111 5.333 -24.598 31.463 1.00 0.00 C ATOM 1695 O GLY A 111 6.422 -24.570 32.037 1.00 0.00 O ATOM 0 H GLY A 111 7.322 -24.758 29.932 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.744 -23.518 29.712 1.00 0.00 H new ATOM 0 HA3 GLY A 111 4.642 -25.260 29.549 1.00 0.00 H new ATOM 1699 N SER A 112 4.180 -24.753 32.105 1.00 0.00 N ATOM 1700 CA SER A 112 4.126 -24.898 33.555 1.00 0.00 C ATOM 1701 C SER A 112 4.178 -26.369 33.956 1.00 0.00 C ATOM 1702 O SER A 112 3.736 -27.243 33.211 1.00 0.00 O ATOM 1703 CB SER A 112 2.854 -24.252 34.107 1.00 0.00 C ATOM 1704 OG SER A 112 1.717 -25.056 33.841 1.00 0.00 O ATOM 0 H SER A 112 3.271 -24.781 31.644 1.00 0.00 H new ATOM 0 HA SER A 112 4.994 -24.393 33.978 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.955 -24.103 35.182 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.719 -23.267 33.660 1.00 0.00 H new ATOM 0 HG SER A 112 0.917 -24.622 34.205 1.00 0.00 H new ATOM 1710 N GLY A 113 4.722 -26.635 35.140 1.00 0.00 N ATOM 1711 CA GLY A 113 4.822 -28.000 35.621 1.00 0.00 C ATOM 1712 C GLY A 113 3.483 -28.561 36.057 1.00 0.00 C ATOM 1713 O GLY A 113 2.620 -27.843 36.562 1.00 0.00 O ATOM 0 H GLY A 113 5.095 -25.929 35.774 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.237 -28.630 34.834 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.518 -28.036 36.459 1.00 0.00 H new ATOM 1717 N PRO A 114 3.296 -29.875 35.861 1.00 0.00 N ATOM 1718 CA PRO A 114 2.054 -30.561 36.230 1.00 0.00 C ATOM 1719 C PRO A 114 1.874 -30.661 37.741 1.00 0.00 C ATOM 1720 O PRO A 114 2.822 -30.947 38.471 1.00 0.00 O ATOM 1721 CB PRO A 114 2.222 -31.954 35.618 1.00 0.00 C ATOM 1722 CG PRO A 114 3.696 -32.152 35.528 1.00 0.00 C ATOM 1723 CD PRO A 114 4.281 -30.792 35.265 1.00 0.00 C ATOM 0 HA PRO A 114 1.173 -30.028 35.874 1.00 0.00 H new ATOM 0 HB2 PRO A 114 1.757 -32.719 36.240 1.00 0.00 H new ATOM 0 HB3 PRO A 114 1.754 -32.014 34.636 1.00 0.00 H new ATOM 0 HG2 PRO A 114 4.090 -32.574 36.452 1.00 0.00 H new ATOM 0 HG3 PRO A 114 3.948 -32.847 34.727 1.00 0.00 H new ATOM 0 HD2 PRO A 114 5.263 -30.681 35.725 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.407 -30.608 34.198 1.00 0.00 H new ATOM 1731 N SER A 115 0.650 -30.424 38.204 1.00 0.00 N ATOM 1732 CA SER A 115 0.347 -30.484 39.629 1.00 0.00 C ATOM 1733 C SER A 115 -1.152 -30.651 39.858 1.00 0.00 C ATOM 1734 O SER A 115 -1.966 -30.289 39.008 1.00 0.00 O ATOM 1735 CB SER A 115 0.844 -29.219 40.331 1.00 0.00 C ATOM 1736 OG SER A 115 2.218 -28.994 40.065 1.00 0.00 O ATOM 0 H SER A 115 -0.147 -30.189 37.613 1.00 0.00 H new ATOM 0 HA SER A 115 0.860 -31.349 40.049 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.261 -28.361 39.997 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.689 -29.311 41.406 1.00 0.00 H new ATOM 0 HG SER A 115 2.643 -29.838 39.804 1.00 0.00 H new ATOM 1742 N SER A 116 -1.510 -31.201 41.014 1.00 0.00 N ATOM 1743 CA SER A 116 -2.910 -31.420 41.356 1.00 0.00 C ATOM 1744 C SER A 116 -3.619 -30.095 41.619 1.00 0.00 C ATOM 1745 O SER A 116 -4.690 -29.832 41.074 1.00 0.00 O ATOM 1746 CB SER A 116 -3.022 -32.325 42.584 1.00 0.00 C ATOM 1747 OG SER A 116 -4.376 -32.629 42.872 1.00 0.00 O ATOM 0 H SER A 116 -0.849 -31.503 41.730 1.00 0.00 H new ATOM 0 HA SER A 116 -3.393 -31.908 40.509 1.00 0.00 H new ATOM 0 HB2 SER A 116 -2.468 -33.248 42.411 1.00 0.00 H new ATOM 0 HB3 SER A 116 -2.565 -31.835 43.444 1.00 0.00 H new ATOM 0 HG SER A 116 -4.420 -33.210 43.660 1.00 0.00 H new ATOM 1753 N GLY A 117 -3.012 -29.264 42.461 1.00 0.00 N ATOM 1754 CA GLY A 117 -3.598 -27.976 42.783 1.00 0.00 C ATOM 1755 C GLY A 117 -3.362 -27.577 44.226 1.00 0.00 C ATOM 1756 O GLY A 117 -4.259 -27.689 45.063 1.00 0.00 O ATOM 0 H GLY A 117 -2.125 -29.460 42.926 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.178 -27.215 42.125 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -4.670 -28.009 42.589 1.00 0.00 H new TER 1760 GLY A 117