USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 966 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 116 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 118 SER OG : rot 38:sc= 0.776 USER MOD Set 2.1: A 18 GLN : amide:sc= -3.44! C(o=-9.1!,f=-9.2!) USER MOD Set 2.2: A 96 HIS : no HD1:sc= -5.68! K(o=-9.1!,f=-6.8) USER MOD Set 3.1: A 62 MET CE :methyl -160:sc= -0.153 (180deg=-0.665) USER MOD Set 3.2: A 72 GLN : amide:sc= 0 K(o=-0.15,f=-1.3) USER MOD Set 4.1: A 3 ASN : amide:sc= -3.68! K(o=-3.7!,f=-0.38) USER MOD Set 4.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.046 (180deg=-0.322) USER MOD Single : A 2 CYS SG : rot 14:sc= -0.274 USER MOD Single : A 5 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.14) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -130:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 95:sc= 1.5 USER MOD Single : A 31 LYS NZ :NH3+ -133:sc= -0.891 (180deg=-2.82!) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= -0.0231 (180deg=-0.276) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 111:sc= 0.574 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 0.473 (180deg=0.0603) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -61:sc= -2.88! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 136:sc= -0.37 (180deg=-2.38) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0213 USER MOD Single : A 59 GLN : amide:sc=-0.00105 X(o=-0.0011,f=-0.15) USER MOD Single : A 60 TYR OH : rot 4:sc= -2.05! USER MOD Single : A 63 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0528 (180deg=-0.257) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= -0.011 (180deg=-0.245) USER MOD Single : A 71 GLN : amide:sc= -0.751 K(o=-0.75,f=-0.13) USER MOD Single : A 73 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-4.2!) USER MOD Single : A 76 TYR OH : rot 122:sc= 1.25 USER MOD Single : A 77 CYS SG : rot -64:sc= 0.0327 USER MOD Single : A 78 SER OG : rot 180:sc= -0.58 USER MOD Single : A 79 ASN : amide:sc= -0.932 K(o=-0.93,f=-4.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0022 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 120:sc= -0.311 USER MOD Single : A 101 THR OG1 : rot 101:sc= 1.25 USER MOD Single : A 102 MET CE :methyl 142:sc= -7.3! (180deg=-11.6!) USER MOD Single : A 104 TYR OH : rot 180:sc= -1.23! USER MOD Single : A 106 ASN : amide:sc= -0.871 K(o=-0.87,f=-1.8) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 112 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.33) USER MOD Single : A 113 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.0048) USER MOD Single : A 115 SER OG : rot 31:sc= 0.316 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.684 33.991 -2.536 1.00 0.00 N ATOM 2 CA MET A 1 -24.892 32.631 -3.096 1.00 0.00 C ATOM 3 C MET A 1 -25.389 32.706 -4.536 1.00 0.00 C ATOM 4 O MET A 1 -26.592 32.799 -4.784 1.00 0.00 O ATOM 5 CB MET A 1 -25.896 31.856 -2.240 1.00 0.00 C ATOM 6 CG MET A 1 -25.456 31.685 -0.794 1.00 0.00 C ATOM 7 SD MET A 1 -26.658 30.774 0.193 1.00 0.00 S ATOM 8 CE MET A 1 -25.852 30.773 1.792 1.00 0.00 C ATOM 0 H1 MET A 1 -24.130 33.924 -1.658 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.170 34.576 -3.226 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.606 34.427 -2.331 1.00 0.00 H new ATOM 0 HA MET A 1 -23.935 32.110 -3.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.855 32.374 -2.261 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.055 30.872 -2.682 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.500 31.163 -0.768 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.295 32.667 -0.349 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.475 30.244 2.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.886 30.274 1.712 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.704 31.800 2.125 1.00 0.00 H new ATOM 20 N CYS A 2 -24.455 32.665 -5.481 1.00 0.00 N ATOM 21 CA CYS A 2 -24.798 32.732 -6.897 1.00 0.00 C ATOM 22 C CYS A 2 -24.808 31.340 -7.521 1.00 0.00 C ATOM 23 O CYS A 2 -23.843 30.586 -7.397 1.00 0.00 O ATOM 24 CB CYS A 2 -23.807 33.630 -7.640 1.00 0.00 C ATOM 25 SG CYS A 2 -24.149 33.805 -9.407 1.00 0.00 S ATOM 0 H CYS A 2 -23.456 32.586 -5.292 1.00 0.00 H new ATOM 0 HA CYS A 2 -25.798 33.156 -6.984 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -23.814 34.618 -7.180 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -22.802 33.226 -7.514 1.00 0.00 H new ATOM 0 HG CYS A 2 -25.346 33.367 -9.663 1.00 0.00 H new ATOM 31 N ASN A 3 -25.908 31.004 -8.189 1.00 0.00 N ATOM 32 CA ASN A 3 -26.052 29.697 -8.818 1.00 0.00 C ATOM 33 C ASN A 3 -25.675 29.751 -10.296 1.00 0.00 C ATOM 34 O ASN A 3 -25.993 28.841 -11.061 1.00 0.00 O ATOM 35 CB ASN A 3 -27.487 29.185 -8.659 1.00 0.00 C ATOM 36 CG ASN A 3 -28.529 30.251 -8.944 1.00 0.00 C ATOM 37 OD1 ASN A 3 -29.614 30.241 -8.364 1.00 0.00 O ATOM 38 ND2 ASN A 3 -28.209 31.177 -9.844 1.00 0.00 N ATOM 0 H ASN A 3 -26.712 31.620 -8.308 1.00 0.00 H new ATOM 0 HA ASN A 3 -25.371 29.008 -8.319 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -27.643 28.342 -9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -27.624 28.812 -7.644 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -28.874 31.915 -10.076 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -27.298 31.149 -10.302 1.00 0.00 H new ATOM 45 N THR A 4 -24.996 30.824 -10.689 1.00 0.00 N ATOM 46 CA THR A 4 -24.569 30.995 -12.073 1.00 0.00 C ATOM 47 C THR A 4 -23.073 30.737 -12.221 1.00 0.00 C ATOM 48 O THR A 4 -22.276 31.144 -11.376 1.00 0.00 O ATOM 49 CB THR A 4 -24.889 32.411 -12.588 1.00 0.00 C ATOM 50 OG1 THR A 4 -26.285 32.689 -12.424 1.00 0.00 O ATOM 51 CG2 THR A 4 -24.510 32.555 -14.054 1.00 0.00 C ATOM 0 H THR A 4 -24.730 31.588 -10.068 1.00 0.00 H new ATOM 0 HA THR A 4 -25.121 30.267 -12.668 1.00 0.00 H new ATOM 0 HB THR A 4 -24.304 33.124 -12.006 1.00 0.00 H new ATOM 0 HG1 THR A 4 -26.480 33.592 -12.752 1.00 0.00 H new ATOM 0 HG21 THR A 4 -24.746 33.564 -14.393 1.00 0.00 H new ATOM 0 HG22 THR A 4 -23.442 32.372 -14.173 1.00 0.00 H new ATOM 0 HG23 THR A 4 -25.070 31.832 -14.647 1.00 0.00 H new ATOM 59 N ASN A 5 -22.699 30.053 -13.299 1.00 0.00 N ATOM 60 CA ASN A 5 -21.300 29.724 -13.549 1.00 0.00 C ATOM 61 C ASN A 5 -20.707 30.641 -14.614 1.00 0.00 C ATOM 62 O ASN A 5 -19.806 30.247 -15.355 1.00 0.00 O ATOM 63 CB ASN A 5 -21.169 28.263 -13.985 1.00 0.00 C ATOM 64 CG ASN A 5 -21.954 27.963 -15.248 1.00 0.00 C ATOM 65 OD1 ASN A 5 -23.127 27.596 -15.189 1.00 0.00 O ATOM 66 ND2 ASN A 5 -21.309 28.119 -16.397 1.00 0.00 N ATOM 0 H ASN A 5 -23.345 29.716 -14.013 1.00 0.00 H new ATOM 0 HA ASN A 5 -20.746 29.870 -12.622 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -20.117 28.029 -14.150 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -21.517 27.614 -13.181 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -21.786 27.933 -17.279 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -20.336 28.425 -16.398 1.00 0.00 H new ATOM 73 N MET A 6 -21.217 31.867 -14.683 1.00 0.00 N ATOM 74 CA MET A 6 -20.744 32.838 -15.663 1.00 0.00 C ATOM 75 C MET A 6 -19.568 33.639 -15.111 1.00 0.00 C ATOM 76 O MET A 6 -18.459 33.575 -15.641 1.00 0.00 O ATOM 77 CB MET A 6 -21.877 33.784 -16.063 1.00 0.00 C ATOM 78 CG MET A 6 -21.480 34.802 -17.119 1.00 0.00 C ATOM 79 SD MET A 6 -20.942 34.031 -18.658 1.00 0.00 S ATOM 80 CE MET A 6 -20.571 35.475 -19.650 1.00 0.00 C ATOM 0 H MET A 6 -21.958 32.211 -14.072 1.00 0.00 H new ATOM 0 HA MET A 6 -20.408 32.293 -16.545 1.00 0.00 H new ATOM 0 HB2 MET A 6 -22.715 33.195 -16.436 1.00 0.00 H new ATOM 0 HB3 MET A 6 -22.228 34.312 -15.176 1.00 0.00 H new ATOM 0 HG2 MET A 6 -22.326 35.458 -17.322 1.00 0.00 H new ATOM 0 HG3 MET A 6 -20.677 35.428 -16.731 1.00 0.00 H new ATOM 0 HE1 MET A 6 -20.225 35.161 -20.635 1.00 0.00 H new ATOM 0 HE2 MET A 6 -21.469 36.083 -19.758 1.00 0.00 H new ATOM 0 HE3 MET A 6 -19.793 36.062 -19.162 1.00 0.00 H new ATOM 90 N SER A 7 -19.819 34.393 -14.046 1.00 0.00 N ATOM 91 CA SER A 7 -18.787 35.219 -13.432 1.00 0.00 C ATOM 92 C SER A 7 -18.389 34.666 -12.066 1.00 0.00 C ATOM 93 O SER A 7 -17.929 35.405 -11.196 1.00 0.00 O ATOM 94 CB SER A 7 -19.277 36.662 -13.289 1.00 0.00 C ATOM 95 OG SER A 7 -19.596 37.220 -14.551 1.00 0.00 O ATOM 0 H SER A 7 -20.730 34.449 -13.590 1.00 0.00 H new ATOM 0 HA SER A 7 -17.910 35.203 -14.080 1.00 0.00 H new ATOM 0 HB2 SER A 7 -20.155 36.689 -12.644 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.508 37.264 -12.806 1.00 0.00 H new ATOM 0 HG SER A 7 -19.908 38.141 -14.432 1.00 0.00 H new ATOM 101 N VAL A 8 -18.570 33.362 -11.887 1.00 0.00 N ATOM 102 CA VAL A 8 -18.239 32.711 -10.625 1.00 0.00 C ATOM 103 C VAL A 8 -17.253 31.564 -10.841 1.00 0.00 C ATOM 104 O VAL A 8 -17.491 30.683 -11.667 1.00 0.00 O ATOM 105 CB VAL A 8 -19.501 32.166 -9.928 1.00 0.00 C ATOM 106 CG1 VAL A 8 -19.153 31.582 -8.568 1.00 0.00 C ATOM 107 CG2 VAL A 8 -20.551 33.259 -9.795 1.00 0.00 C ATOM 0 H VAL A 8 -18.944 32.735 -12.600 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.779 33.466 -9.988 1.00 0.00 H new ATOM 0 HB VAL A 8 -19.916 31.367 -10.543 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -20.058 31.203 -8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -18.440 30.767 -8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.711 32.357 -7.941 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -21.435 32.856 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -20.148 34.081 -9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -20.824 33.624 -10.785 1.00 0.00 H new ATOM 117 N PRO A 9 -16.130 31.564 -10.100 1.00 0.00 N ATOM 118 CA PRO A 9 -15.101 30.527 -10.229 1.00 0.00 C ATOM 119 C PRO A 9 -15.564 29.178 -9.689 1.00 0.00 C ATOM 120 O PRO A 9 -16.284 29.111 -8.692 1.00 0.00 O ATOM 121 CB PRO A 9 -13.942 31.069 -9.389 1.00 0.00 C ATOM 122 CG PRO A 9 -14.588 31.964 -8.390 1.00 0.00 C ATOM 123 CD PRO A 9 -15.776 32.571 -9.082 1.00 0.00 C ATOM 0 HA PRO A 9 -14.840 30.341 -11.271 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.394 30.262 -8.902 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.227 31.614 -10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.895 31.404 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.896 32.736 -8.054 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.598 32.747 -8.388 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.530 33.531 -9.535 1.00 0.00 H new ATOM 131 N THR A 10 -15.147 28.106 -10.354 1.00 0.00 N ATOM 132 CA THR A 10 -15.524 26.757 -9.947 1.00 0.00 C ATOM 133 C THR A 10 -14.350 26.032 -9.296 1.00 0.00 C ATOM 134 O THR A 10 -14.446 24.850 -8.964 1.00 0.00 O ATOM 135 CB THR A 10 -16.023 25.928 -11.144 1.00 0.00 C ATOM 136 OG1 THR A 10 -14.991 25.820 -12.132 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.259 26.563 -11.764 1.00 0.00 C ATOM 0 H THR A 10 -14.547 28.145 -11.178 1.00 0.00 H new ATOM 0 HA THR A 10 -16.333 26.859 -9.223 1.00 0.00 H new ATOM 0 HB THR A 10 -16.285 24.933 -10.783 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.317 25.290 -12.889 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.594 25.960 -12.608 1.00 0.00 H new ATOM 0 HG22 THR A 10 -18.053 26.617 -11.019 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.017 27.568 -12.110 1.00 0.00 H new ATOM 145 N ASP A 11 -13.242 26.746 -9.121 1.00 0.00 N ATOM 146 CA ASP A 11 -12.044 26.165 -8.527 1.00 0.00 C ATOM 147 C ASP A 11 -11.983 26.453 -7.030 1.00 0.00 C ATOM 148 O ASP A 11 -12.265 27.569 -6.592 1.00 0.00 O ATOM 149 CB ASP A 11 -10.792 26.710 -9.215 1.00 0.00 C ATOM 150 CG ASP A 11 -10.759 26.390 -10.695 1.00 0.00 C ATOM 151 OD1 ASP A 11 -11.276 27.202 -11.491 1.00 0.00 O ATOM 152 OD2 ASP A 11 -10.216 25.326 -11.060 1.00 0.00 O ATOM 0 H ASP A 11 -13.150 27.728 -9.382 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.086 25.085 -8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.748 27.791 -9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.907 26.292 -8.736 1.00 0.00 H new ATOM 157 N GLY A 12 -11.611 25.441 -6.251 1.00 0.00 N ATOM 158 CA GLY A 12 -11.518 25.607 -4.813 1.00 0.00 C ATOM 159 C GLY A 12 -10.597 24.587 -4.170 1.00 0.00 C ATOM 160 O GLY A 12 -10.448 24.561 -2.949 1.00 0.00 O ATOM 0 H GLY A 12 -11.373 24.509 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.157 26.611 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.513 25.521 -4.375 1.00 0.00 H new ATOM 164 N ALA A 13 -9.979 23.747 -4.995 1.00 0.00 N ATOM 165 CA ALA A 13 -9.067 22.723 -4.502 1.00 0.00 C ATOM 166 C ALA A 13 -7.879 22.548 -5.441 1.00 0.00 C ATOM 167 O ALA A 13 -8.029 22.588 -6.662 1.00 0.00 O ATOM 168 CB ALA A 13 -9.802 21.403 -4.327 1.00 0.00 C ATOM 0 H ALA A 13 -10.094 23.756 -6.008 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.686 23.046 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.109 20.647 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.614 21.531 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.210 21.084 -5.286 1.00 0.00 H new ATOM 174 N VAL A 14 -6.695 22.358 -4.863 1.00 0.00 N ATOM 175 CA VAL A 14 -5.478 22.203 -5.648 1.00 0.00 C ATOM 176 C VAL A 14 -4.838 20.838 -5.410 1.00 0.00 C ATOM 177 O VAL A 14 -4.389 20.181 -6.348 1.00 0.00 O ATOM 178 CB VAL A 14 -4.451 23.304 -5.315 1.00 0.00 C ATOM 179 CG1 VAL A 14 -3.215 23.167 -6.192 1.00 0.00 C ATOM 180 CG2 VAL A 14 -5.076 24.681 -5.473 1.00 0.00 C ATOM 0 H VAL A 14 -6.555 22.308 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.765 22.288 -6.696 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.144 23.186 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.502 23.953 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.755 22.193 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.501 23.257 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.337 25.446 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.414 24.812 -6.501 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.926 24.774 -4.797 1.00 0.00 H new ATOM 190 N THR A 15 -4.800 20.420 -4.149 1.00 0.00 N ATOM 191 CA THR A 15 -4.200 19.141 -3.787 1.00 0.00 C ATOM 192 C THR A 15 -4.929 18.507 -2.606 1.00 0.00 C ATOM 193 O THR A 15 -4.625 18.795 -1.449 1.00 0.00 O ATOM 194 CB THR A 15 -2.710 19.298 -3.434 1.00 0.00 C ATOM 195 OG1 THR A 15 -2.011 19.918 -4.521 1.00 0.00 O ATOM 196 CG2 THR A 15 -2.078 17.949 -3.127 1.00 0.00 C ATOM 0 H THR A 15 -5.177 20.948 -3.362 1.00 0.00 H new ATOM 0 HA THR A 15 -4.291 18.491 -4.658 1.00 0.00 H new ATOM 0 HB THR A 15 -2.637 19.926 -2.546 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.064 20.016 -4.288 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.025 18.088 -2.881 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.591 17.491 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.164 17.300 -3.999 1.00 0.00 H new ATOM 204 N THR A 16 -5.888 17.636 -2.909 1.00 0.00 N ATOM 205 CA THR A 16 -6.635 16.930 -1.874 1.00 0.00 C ATOM 206 C THR A 16 -6.818 15.460 -2.236 1.00 0.00 C ATOM 207 O THR A 16 -7.640 14.761 -1.645 1.00 0.00 O ATOM 208 CB THR A 16 -8.021 17.566 -1.648 1.00 0.00 C ATOM 209 OG1 THR A 16 -8.778 17.536 -2.863 1.00 0.00 O ATOM 210 CG2 THR A 16 -7.887 19.001 -1.165 1.00 0.00 C ATOM 0 H THR A 16 -6.165 17.403 -3.862 1.00 0.00 H new ATOM 0 HA THR A 16 -6.053 17.007 -0.956 1.00 0.00 H new ATOM 0 HB THR A 16 -8.539 16.989 -0.882 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.658 17.940 -2.710 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.878 19.428 -1.013 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.336 19.018 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.350 19.587 -1.911 1.00 0.00 H new ATOM 218 N SER A 17 -6.044 14.999 -3.214 1.00 0.00 N ATOM 219 CA SER A 17 -6.131 13.617 -3.673 1.00 0.00 C ATOM 220 C SER A 17 -4.759 13.098 -4.094 1.00 0.00 C ATOM 221 O SER A 17 -3.745 13.766 -3.893 1.00 0.00 O ATOM 222 CB SER A 17 -7.110 13.510 -4.843 1.00 0.00 C ATOM 223 OG SER A 17 -6.690 14.306 -5.937 1.00 0.00 O ATOM 0 H SER A 17 -5.349 15.563 -3.704 1.00 0.00 H new ATOM 0 HA SER A 17 -6.493 13.006 -2.847 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.193 12.470 -5.157 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.102 13.825 -4.520 1.00 0.00 H new ATOM 0 HG SER A 17 -7.333 14.218 -6.672 1.00 0.00 H new ATOM 229 N GLN A 18 -4.737 11.903 -4.675 1.00 0.00 N ATOM 230 CA GLN A 18 -3.496 11.287 -5.114 1.00 0.00 C ATOM 231 C GLN A 18 -3.786 10.157 -6.066 1.00 0.00 C ATOM 232 O GLN A 18 -3.766 10.321 -7.287 1.00 0.00 O ATOM 233 CB GLN A 18 -2.731 10.698 -3.941 1.00 0.00 C ATOM 234 CG GLN A 18 -1.404 10.082 -4.344 1.00 0.00 C ATOM 235 CD GLN A 18 -0.693 9.422 -3.180 1.00 0.00 C ATOM 236 OE1 GLN A 18 -0.894 8.238 -2.906 1.00 0.00 O ATOM 237 NE2 GLN A 18 0.139 10.186 -2.484 1.00 0.00 N ATOM 0 H GLN A 18 -5.570 11.342 -4.852 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.904 12.065 -5.596 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.552 11.479 -3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.346 9.938 -3.459 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -1.573 9.344 -5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -0.762 10.855 -4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.275 11.162 -2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.642 9.797 -1.687 1.00 0.00 H new ATOM 246 N ILE A 19 -4.010 8.987 -5.484 1.00 0.00 N ATOM 247 CA ILE A 19 -4.045 7.773 -6.248 1.00 0.00 C ATOM 248 C ILE A 19 -5.414 7.101 -6.130 1.00 0.00 C ATOM 249 O ILE A 19 -5.983 7.016 -5.041 1.00 0.00 O ATOM 250 CB ILE A 19 -2.914 6.807 -5.822 1.00 0.00 C ATOM 251 CG1 ILE A 19 -2.864 5.563 -6.725 1.00 0.00 C ATOM 252 CG2 ILE A 19 -3.076 6.410 -4.371 1.00 0.00 C ATOM 253 CD1 ILE A 19 -3.844 4.469 -6.341 1.00 0.00 C ATOM 0 H ILE A 19 -4.169 8.865 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.880 8.030 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.966 7.333 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.062 5.867 -7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.854 5.153 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.272 5.730 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.036 7.300 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.036 5.913 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.741 3.630 -7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.634 4.133 -5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.861 4.857 -6.392 1.00 0.00 H new ATOM 265 N PRO A 20 -5.987 6.685 -7.271 1.00 0.00 N ATOM 266 CA PRO A 20 -7.425 6.408 -7.394 1.00 0.00 C ATOM 267 C PRO A 20 -7.879 5.237 -6.528 1.00 0.00 C ATOM 268 O PRO A 20 -7.104 4.327 -6.237 1.00 0.00 O ATOM 269 CB PRO A 20 -7.604 6.074 -8.882 1.00 0.00 C ATOM 270 CG PRO A 20 -6.392 6.629 -9.551 1.00 0.00 C ATOM 271 CD PRO A 20 -5.287 6.509 -8.546 1.00 0.00 C ATOM 0 HA PRO A 20 -8.024 7.254 -7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.683 4.998 -9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.515 6.522 -9.280 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.157 6.075 -10.460 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.546 7.668 -9.842 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.791 5.540 -8.604 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.520 7.270 -8.695 1.00 0.00 H new ATOM 279 N ALA A 21 -9.144 5.277 -6.121 1.00 0.00 N ATOM 280 CA ALA A 21 -9.716 4.240 -5.268 1.00 0.00 C ATOM 281 C ALA A 21 -11.230 4.394 -5.165 1.00 0.00 C ATOM 282 O ALA A 21 -11.847 5.076 -5.983 1.00 0.00 O ATOM 283 CB ALA A 21 -9.085 4.293 -3.885 1.00 0.00 C ATOM 0 H ALA A 21 -9.796 6.021 -6.370 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.503 3.270 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.519 3.515 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.010 4.134 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.273 5.268 -3.436 1.00 0.00 H new ATOM 289 N SER A 22 -11.820 3.781 -4.144 1.00 0.00 N ATOM 290 CA SER A 22 -13.233 3.986 -3.850 1.00 0.00 C ATOM 291 C SER A 22 -13.419 5.242 -3.009 1.00 0.00 C ATOM 292 O SER A 22 -14.200 6.128 -3.357 1.00 0.00 O ATOM 293 CB SER A 22 -13.806 2.773 -3.116 1.00 0.00 C ATOM 294 OG SER A 22 -13.677 1.595 -3.895 1.00 0.00 O ATOM 0 H SER A 22 -11.344 3.141 -3.509 1.00 0.00 H new ATOM 0 HA SER A 22 -13.768 4.110 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.289 2.642 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.857 2.947 -2.886 1.00 0.00 H new ATOM 0 HG SER A 22 -14.540 1.131 -3.932 1.00 0.00 H new ATOM 300 N GLU A 23 -12.667 5.322 -1.917 1.00 0.00 N ATOM 301 CA GLU A 23 -12.599 6.537 -1.116 1.00 0.00 C ATOM 302 C GLU A 23 -11.314 6.552 -0.291 1.00 0.00 C ATOM 303 O GLU A 23 -11.350 6.671 0.934 1.00 0.00 O ATOM 304 CB GLU A 23 -13.821 6.635 -0.200 1.00 0.00 C ATOM 305 CG GLU A 23 -13.941 7.970 0.518 1.00 0.00 C ATOM 306 CD GLU A 23 -14.072 9.138 -0.439 1.00 0.00 C ATOM 307 OE1 GLU A 23 -15.217 9.485 -0.798 1.00 0.00 O ATOM 308 OE2 GLU A 23 -13.031 9.706 -0.829 1.00 0.00 O ATOM 0 H GLU A 23 -12.093 4.555 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.595 7.399 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.721 6.468 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.774 5.837 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.808 7.947 1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.065 8.119 1.149 1.00 0.00 H new ATOM 315 N GLN A 24 -10.181 6.402 -0.976 1.00 0.00 N ATOM 316 CA GLN A 24 -8.892 6.271 -0.308 1.00 0.00 C ATOM 317 C GLN A 24 -8.943 5.199 0.777 1.00 0.00 C ATOM 318 O GLN A 24 -8.332 5.345 1.835 1.00 0.00 O ATOM 319 CB GLN A 24 -8.479 7.612 0.293 1.00 0.00 C ATOM 320 CG GLN A 24 -8.047 8.638 -0.742 1.00 0.00 C ATOM 321 CD GLN A 24 -7.657 9.964 -0.121 1.00 0.00 C ATOM 322 OE1 GLN A 24 -8.492 10.851 0.053 1.00 0.00 O ATOM 323 NE2 GLN A 24 -6.379 10.108 0.217 1.00 0.00 N ATOM 0 H GLN A 24 -10.132 6.368 -1.994 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.152 5.967 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.314 8.016 0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.660 7.449 0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.203 8.244 -1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.860 8.798 -1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.720 9.347 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.058 10.980 0.638 1.00 0.00 H new ATOM 332 N GLU A 25 -9.673 4.119 0.506 1.00 0.00 N ATOM 333 CA GLU A 25 -9.805 3.029 1.468 1.00 0.00 C ATOM 334 C GLU A 25 -10.054 1.697 0.762 1.00 0.00 C ATOM 335 O GLU A 25 -9.464 0.677 1.121 1.00 0.00 O ATOM 336 CB GLU A 25 -10.939 3.323 2.451 1.00 0.00 C ATOM 337 CG GLU A 25 -12.317 2.994 1.906 1.00 0.00 C ATOM 338 CD GLU A 25 -13.432 3.643 2.705 1.00 0.00 C ATOM 339 OE1 GLU A 25 -13.842 3.065 3.730 1.00 0.00 O ATOM 340 OE2 GLU A 25 -13.892 4.732 2.302 1.00 0.00 O ATOM 0 H GLU A 25 -10.180 3.976 -0.368 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.868 2.952 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.773 2.752 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.908 4.378 2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.381 3.322 0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.456 1.913 1.908 1.00 0.00 H new ATOM 347 N THR A 26 -10.938 1.716 -0.239 1.00 0.00 N ATOM 348 CA THR A 26 -11.288 0.515 -0.994 1.00 0.00 C ATOM 349 C THR A 26 -12.161 -0.437 -0.181 1.00 0.00 C ATOM 350 O THR A 26 -13.044 -1.100 -0.728 1.00 0.00 O ATOM 351 CB THR A 26 -10.030 -0.233 -1.483 1.00 0.00 C ATOM 352 OG1 THR A 26 -9.512 0.395 -2.661 1.00 0.00 O ATOM 353 CG2 THR A 26 -10.341 -1.693 -1.772 1.00 0.00 C ATOM 0 H THR A 26 -11.426 2.558 -0.545 1.00 0.00 H new ATOM 0 HA THR A 26 -11.858 0.853 -1.859 1.00 0.00 H new ATOM 0 HB THR A 26 -9.282 -0.191 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.804 1.025 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.437 -2.197 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.702 -2.175 -0.863 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.107 -1.756 -2.545 1.00 0.00 H new ATOM 361 N LEU A 27 -11.859 -0.551 1.102 1.00 0.00 N ATOM 362 CA LEU A 27 -12.235 -1.712 1.882 1.00 0.00 C ATOM 363 C LEU A 27 -11.574 -2.938 1.306 1.00 0.00 C ATOM 364 O LEU A 27 -12.193 -3.740 0.607 1.00 0.00 O ATOM 365 CB LEU A 27 -13.748 -1.880 1.949 1.00 0.00 C ATOM 366 CG LEU A 27 -14.369 -1.324 3.227 1.00 0.00 C ATOM 367 CD1 LEU A 27 -13.722 -1.969 4.446 1.00 0.00 C ATOM 368 CD2 LEU A 27 -14.191 0.183 3.276 1.00 0.00 C ATOM 0 H LEU A 27 -11.348 0.158 1.628 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.891 -1.569 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.199 -1.383 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.991 -2.939 1.868 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.434 -1.554 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.172 -1.566 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.877 -3.047 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.653 -1.756 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.637 0.572 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.128 0.425 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.680 0.635 2.413 1.00 0.00 H new ATOM 380 N VAL A 28 -10.284 -3.026 1.563 1.00 0.00 N ATOM 381 CA VAL A 28 -9.421 -3.950 0.866 1.00 0.00 C ATOM 382 C VAL A 28 -9.529 -5.327 1.448 1.00 0.00 C ATOM 383 O VAL A 28 -9.158 -5.563 2.599 1.00 0.00 O ATOM 384 CB VAL A 28 -7.976 -3.494 0.947 1.00 0.00 C ATOM 385 CG1 VAL A 28 -7.074 -4.420 0.155 1.00 0.00 C ATOM 386 CG2 VAL A 28 -7.888 -2.073 0.452 1.00 0.00 C ATOM 0 H VAL A 28 -9.807 -2.457 2.262 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.739 -3.975 -0.176 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.634 -3.530 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.043 -4.073 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.146 -5.430 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.383 -4.423 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.854 -1.733 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.233 -2.025 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.513 -1.432 1.073 1.00 0.00 H new ATOM 396 N ARG A 29 -10.074 -6.226 0.669 1.00 0.00 N ATOM 397 CA ARG A 29 -10.445 -7.510 1.194 1.00 0.00 C ATOM 398 C ARG A 29 -10.088 -8.630 0.218 1.00 0.00 C ATOM 399 O ARG A 29 -10.967 -9.344 -0.268 1.00 0.00 O ATOM 400 CB ARG A 29 -11.943 -7.531 1.513 1.00 0.00 C ATOM 401 CG ARG A 29 -12.441 -6.260 2.191 1.00 0.00 C ATOM 402 CD ARG A 29 -13.949 -6.282 2.374 1.00 0.00 C ATOM 403 NE ARG A 29 -14.654 -6.399 1.101 1.00 0.00 N ATOM 404 CZ ARG A 29 -15.977 -6.480 0.994 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.737 -6.459 2.082 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.543 -6.585 -0.201 1.00 0.00 N ATOM 0 H ARG A 29 -10.269 -6.092 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.884 -7.680 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.501 -7.682 0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.157 -8.384 2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.957 -6.150 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.158 -5.393 1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.224 -7.117 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.266 -5.371 2.881 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.100 -6.420 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.307 -6.381 3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.752 -6.521 1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.963 -6.604 -1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.558 -6.647 -0.281 1.00 0.00 H new ATOM 420 N PRO A 30 -8.792 -8.780 -0.104 1.00 0.00 N ATOM 421 CA PRO A 30 -8.335 -9.683 -1.153 1.00 0.00 C ATOM 422 C PRO A 30 -7.982 -11.070 -0.625 1.00 0.00 C ATOM 423 O PRO A 30 -8.068 -11.332 0.575 1.00 0.00 O ATOM 424 CB PRO A 30 -7.085 -8.973 -1.660 1.00 0.00 C ATOM 425 CG PRO A 30 -6.515 -8.300 -0.452 1.00 0.00 C ATOM 426 CD PRO A 30 -7.662 -8.055 0.505 1.00 0.00 C ATOM 0 HA PRO A 30 -9.097 -9.865 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.376 -9.679 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.328 -8.250 -2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.752 -8.925 0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.034 -7.361 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.437 -8.431 1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.878 -6.991 0.606 1.00 0.00 H new ATOM 434 N LYS A 31 -7.557 -11.946 -1.531 1.00 0.00 N ATOM 435 CA LYS A 31 -7.023 -13.248 -1.148 1.00 0.00 C ATOM 436 C LYS A 31 -5.751 -13.082 -0.319 1.00 0.00 C ATOM 437 O LYS A 31 -5.132 -12.020 -0.339 1.00 0.00 O ATOM 438 CB LYS A 31 -6.733 -14.089 -2.397 1.00 0.00 C ATOM 439 CG LYS A 31 -7.980 -14.607 -3.095 1.00 0.00 C ATOM 440 CD LYS A 31 -8.756 -13.487 -3.772 1.00 0.00 C ATOM 441 CE LYS A 31 -10.007 -14.011 -4.455 1.00 0.00 C ATOM 442 NZ LYS A 31 -10.771 -12.924 -5.128 1.00 0.00 N ATOM 0 H LYS A 31 -7.572 -11.777 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.768 -13.763 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.157 -13.489 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.108 -14.936 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.697 -15.353 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.622 -15.106 -2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.032 -12.735 -3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.119 -12.994 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.730 -14.768 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.645 -14.500 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.779 -13.007 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.413 -12.000 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.655 -13.005 -6.158 1.00 0.00 H new ATOM 456 N PRO A 32 -5.348 -14.130 0.427 1.00 0.00 N ATOM 457 CA PRO A 32 -4.145 -14.083 1.267 1.00 0.00 C ATOM 458 C PRO A 32 -2.889 -13.763 0.466 1.00 0.00 C ATOM 459 O PRO A 32 -2.157 -14.662 0.050 1.00 0.00 O ATOM 460 CB PRO A 32 -4.056 -15.496 1.863 1.00 0.00 C ATOM 461 CG PRO A 32 -4.937 -16.341 1.008 1.00 0.00 C ATOM 462 CD PRO A 32 -6.025 -15.433 0.513 1.00 0.00 C ATOM 0 HA PRO A 32 -4.212 -13.297 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.030 -15.863 1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.388 -15.506 2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.378 -16.770 0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.352 -17.173 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.410 -15.753 -0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.871 -15.405 1.199 1.00 0.00 H new ATOM 470 N LEU A 33 -2.643 -12.471 0.257 1.00 0.00 N ATOM 471 CA LEU A 33 -1.470 -12.015 -0.478 1.00 0.00 C ATOM 472 C LEU A 33 -1.370 -10.495 -0.437 1.00 0.00 C ATOM 473 O LEU A 33 -0.539 -9.898 -1.116 1.00 0.00 O ATOM 474 CB LEU A 33 -1.513 -12.513 -1.928 1.00 0.00 C ATOM 475 CG LEU A 33 -2.849 -12.315 -2.651 1.00 0.00 C ATOM 476 CD1 LEU A 33 -3.001 -10.876 -3.116 1.00 0.00 C ATOM 477 CD2 LEU A 33 -2.962 -13.273 -3.827 1.00 0.00 C ATOM 0 H LEU A 33 -3.246 -11.719 0.590 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.583 -12.431 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.734 -12.001 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.268 -13.575 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.655 -12.532 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.957 -10.758 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.965 -10.209 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.190 -10.627 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.917 -13.120 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.148 -13.086 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.902 -14.300 -3.467 1.00 0.00 H new ATOM 489 N LEU A 34 -2.198 -9.886 0.407 1.00 0.00 N ATOM 490 CA LEU A 34 -2.047 -8.491 0.782 1.00 0.00 C ATOM 491 C LEU A 34 -2.054 -8.390 2.292 1.00 0.00 C ATOM 492 O LEU A 34 -1.936 -7.308 2.864 1.00 0.00 O ATOM 493 CB LEU A 34 -3.185 -7.645 0.203 1.00 0.00 C ATOM 494 CG LEU A 34 -2.813 -6.803 -1.018 1.00 0.00 C ATOM 495 CD1 LEU A 34 -1.720 -5.807 -0.661 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.376 -7.701 -2.163 1.00 0.00 C ATOM 0 H LEU A 34 -2.992 -10.350 0.848 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.106 -8.114 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.007 -8.307 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.556 -6.981 0.983 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.691 -6.243 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.466 -5.215 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.074 -5.147 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.836 -6.344 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.114 -7.089 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.509 -8.286 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.191 -8.374 -2.429 1.00 0.00 H new ATOM 508 N LEU A 35 -2.232 -9.542 2.926 1.00 0.00 N ATOM 509 CA LEU A 35 -2.433 -9.603 4.359 1.00 0.00 C ATOM 510 C LEU A 35 -1.530 -10.662 4.976 1.00 0.00 C ATOM 511 O LEU A 35 -1.106 -10.543 6.121 1.00 0.00 O ATOM 512 CB LEU A 35 -3.896 -9.908 4.675 1.00 0.00 C ATOM 513 CG LEU A 35 -4.890 -9.444 3.609 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.998 -10.484 2.502 1.00 0.00 C ATOM 515 CD2 LEU A 35 -6.249 -9.178 4.233 1.00 0.00 C ATOM 0 H LEU A 35 -2.240 -10.450 2.462 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.177 -8.634 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.007 -10.984 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.155 -9.437 5.623 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.528 -8.513 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.709 -10.142 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.021 -10.627 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.342 -11.429 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.945 -8.849 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.623 -10.092 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.155 -8.402 4.992 1.00 0.00 H new ATOM 527 N LYS A 36 -1.170 -11.660 4.176 1.00 0.00 N ATOM 528 CA LYS A 36 0.042 -12.426 4.424 1.00 0.00 C ATOM 529 C LYS A 36 1.249 -11.502 4.369 1.00 0.00 C ATOM 530 O LYS A 36 2.364 -11.882 4.728 1.00 0.00 O ATOM 531 CB LYS A 36 0.187 -13.539 3.388 1.00 0.00 C ATOM 532 CG LYS A 36 -0.795 -14.686 3.581 1.00 0.00 C ATOM 533 CD LYS A 36 -0.549 -15.418 4.891 1.00 0.00 C ATOM 534 CE LYS A 36 -1.529 -16.566 5.079 1.00 0.00 C ATOM 535 NZ LYS A 36 -1.430 -17.565 3.980 1.00 0.00 N ATOM 0 H LYS A 36 -1.698 -11.955 3.355 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.020 -12.879 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.048 -13.117 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.203 -13.931 3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.814 -14.300 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.706 -15.386 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.471 -15.802 4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.641 -14.719 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.336 -17.056 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.545 -16.173 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.915 -18.441 4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.877 -17.183 3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.429 -17.770 3.786 1.00 0.00 H new ATOM 549 N LEU A 37 1.001 -10.278 3.919 1.00 0.00 N ATOM 550 CA LEU A 37 2.018 -9.254 3.837 1.00 0.00 C ATOM 551 C LEU A 37 1.922 -8.329 5.052 1.00 0.00 C ATOM 552 O LEU A 37 2.923 -7.775 5.504 1.00 0.00 O ATOM 553 CB LEU A 37 1.818 -8.477 2.525 1.00 0.00 C ATOM 554 CG LEU A 37 2.886 -7.442 2.181 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.760 -6.253 3.105 1.00 0.00 C ATOM 556 CD2 LEU A 37 4.278 -8.044 2.258 1.00 0.00 C ATOM 0 H LEU A 37 0.081 -9.973 3.601 1.00 0.00 H new ATOM 0 HA LEU A 37 3.013 -9.700 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.762 -9.196 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.854 -7.971 2.571 1.00 0.00 H new ATOM 0 HG LEU A 37 2.731 -7.109 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.524 -5.516 2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.773 -5.805 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.892 -6.578 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.018 -7.283 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.461 -8.410 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.356 -8.872 1.553 1.00 0.00 H new ATOM 568 N LEU A 38 0.705 -8.156 5.564 1.00 0.00 N ATOM 569 CA LEU A 38 0.442 -7.161 6.601 1.00 0.00 C ATOM 570 C LEU A 38 0.286 -7.807 7.976 1.00 0.00 C ATOM 571 O LEU A 38 0.871 -7.348 8.956 1.00 0.00 O ATOM 572 CB LEU A 38 -0.814 -6.362 6.254 1.00 0.00 C ATOM 573 CG LEU A 38 -0.729 -5.561 4.955 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.952 -4.679 4.790 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.534 -4.723 4.930 1.00 0.00 C ATOM 0 H LEU A 38 -0.114 -8.692 5.278 1.00 0.00 H new ATOM 0 HA LEU A 38 1.300 -6.490 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.657 -7.050 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.028 -5.676 7.073 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.696 -6.263 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.872 -4.117 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.847 -5.300 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.016 -3.985 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.578 -4.159 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.529 -4.031 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.405 -5.375 5.001 1.00 0.00 H new ATOM 587 N LYS A 39 -0.488 -8.884 8.046 1.00 0.00 N ATOM 588 CA LYS A 39 -0.579 -9.675 9.267 1.00 0.00 C ATOM 589 C LYS A 39 0.810 -10.086 9.751 1.00 0.00 C ATOM 590 O LYS A 39 0.988 -10.472 10.906 1.00 0.00 O ATOM 591 CB LYS A 39 -1.442 -10.918 9.039 1.00 0.00 C ATOM 592 CG LYS A 39 -2.882 -10.600 8.671 1.00 0.00 C ATOM 593 CD LYS A 39 -3.712 -11.864 8.508 1.00 0.00 C ATOM 594 CE LYS A 39 -3.232 -12.705 7.335 1.00 0.00 C ATOM 595 NZ LYS A 39 -4.041 -13.945 7.173 1.00 0.00 N ATOM 0 H LYS A 39 -1.060 -9.228 7.275 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.046 -9.058 10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.997 -11.518 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.433 -11.527 9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.325 -9.971 9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.903 -10.028 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.661 -12.453 9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.758 -11.596 8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.284 -12.115 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.185 -12.971 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.682 -14.490 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.971 -14.521 8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.036 -13.691 7.006 1.00 0.00 H new ATOM 609 N SER A 40 1.794 -9.977 8.862 1.00 0.00 N ATOM 610 CA SER A 40 3.187 -10.218 9.226 1.00 0.00 C ATOM 611 C SER A 40 3.729 -9.089 10.098 1.00 0.00 C ATOM 612 O SER A 40 4.345 -9.336 11.134 1.00 0.00 O ATOM 613 CB SER A 40 4.046 -10.366 7.968 1.00 0.00 C ATOM 614 OG SER A 40 3.605 -11.452 7.174 1.00 0.00 O ATOM 0 H SER A 40 1.652 -9.723 7.884 1.00 0.00 H new ATOM 0 HA SER A 40 3.230 -11.144 9.799 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.005 -9.446 7.386 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.088 -10.518 8.251 1.00 0.00 H new ATOM 0 HG SER A 40 3.203 -11.111 6.348 1.00 0.00 H new ATOM 620 N VAL A 41 3.493 -7.848 9.674 1.00 0.00 N ATOM 621 CA VAL A 41 3.926 -6.683 10.446 1.00 0.00 C ATOM 622 C VAL A 41 3.326 -6.717 11.844 1.00 0.00 C ATOM 623 O VAL A 41 3.993 -7.090 12.811 1.00 0.00 O ATOM 624 CB VAL A 41 3.523 -5.348 9.779 1.00 0.00 C ATOM 625 CG1 VAL A 41 4.681 -4.366 9.805 1.00 0.00 C ATOM 626 CG2 VAL A 41 3.038 -5.564 8.355 1.00 0.00 C ATOM 0 H VAL A 41 3.007 -7.624 8.806 1.00 0.00 H new ATOM 0 HA VAL A 41 5.014 -6.735 10.492 1.00 0.00 H new ATOM 0 HB VAL A 41 2.697 -4.927 10.352 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.377 -3.433 9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.970 -4.171 10.838 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.528 -4.788 9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.763 -4.605 7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.833 -6.019 7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.170 -6.223 8.362 1.00 0.00 H new ATOM 636 N GLY A 42 2.056 -6.344 11.937 1.00 0.00 N ATOM 637 CA GLY A 42 1.336 -6.451 13.189 1.00 0.00 C ATOM 638 C GLY A 42 -0.162 -6.485 12.984 1.00 0.00 C ATOM 639 O GLY A 42 -0.932 -6.372 13.939 1.00 0.00 O ATOM 0 H GLY A 42 1.510 -5.967 11.162 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.650 -7.355 13.711 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.595 -5.607 13.828 1.00 0.00 H new ATOM 643 N ALA A 43 -0.575 -6.655 11.733 1.00 0.00 N ATOM 644 CA ALA A 43 -1.992 -6.778 11.408 1.00 0.00 C ATOM 645 C ALA A 43 -2.519 -8.162 11.772 1.00 0.00 C ATOM 646 O ALA A 43 -1.743 -9.091 12.001 1.00 0.00 O ATOM 647 CB ALA A 43 -2.223 -6.495 9.932 1.00 0.00 C ATOM 0 H ALA A 43 0.049 -6.711 10.928 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.539 -6.042 11.997 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.285 -6.591 9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.892 -5.483 9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.658 -7.208 9.332 1.00 0.00 H new ATOM 653 N GLN A 44 -3.843 -8.296 11.820 1.00 0.00 N ATOM 654 CA GLN A 44 -4.475 -9.575 12.121 1.00 0.00 C ATOM 655 C GLN A 44 -5.989 -9.492 11.941 1.00 0.00 C ATOM 656 O GLN A 44 -6.751 -9.668 12.891 1.00 0.00 O ATOM 657 CB GLN A 44 -4.142 -10.012 13.551 1.00 0.00 C ATOM 658 CG GLN A 44 -4.567 -11.437 13.869 1.00 0.00 C ATOM 659 CD GLN A 44 -4.219 -11.849 15.286 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.240 -11.373 15.860 1.00 0.00 O ATOM 661 NE2 GLN A 44 -5.021 -12.742 15.856 1.00 0.00 N ATOM 0 H GLN A 44 -4.498 -7.532 11.654 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.085 -10.316 11.423 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.068 -9.919 13.709 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.627 -9.333 14.252 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.643 -11.533 13.721 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.087 -12.120 13.168 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.822 -13.110 15.342 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.836 -13.060 16.807 1.00 0.00 H new ATOM 670 N LYS A 45 -6.419 -9.221 10.711 1.00 0.00 N ATOM 671 CA LYS A 45 -7.842 -9.137 10.399 1.00 0.00 C ATOM 672 C LYS A 45 -8.136 -9.738 9.029 1.00 0.00 C ATOM 673 O LYS A 45 -7.230 -10.199 8.335 1.00 0.00 O ATOM 674 CB LYS A 45 -8.311 -7.681 10.437 1.00 0.00 C ATOM 675 CG LYS A 45 -8.076 -7.003 11.777 1.00 0.00 C ATOM 676 CD LYS A 45 -8.408 -5.521 11.722 1.00 0.00 C ATOM 677 CE LYS A 45 -7.412 -4.758 10.864 1.00 0.00 C ATOM 678 NZ LYS A 45 -6.020 -4.894 11.377 1.00 0.00 N ATOM 0 H LYS A 45 -5.802 -9.056 9.915 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.385 -9.708 11.152 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.793 -7.120 9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.375 -7.644 10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.686 -7.485 12.541 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.035 -7.132 12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.413 -5.387 11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.410 -5.110 12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.459 -5.126 9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.688 -3.704 10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.408 -4.195 10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.011 -4.730 12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.668 -5.852 11.176 1.00 0.00 H new ATOM 692 N ASP A 46 -9.410 -9.729 8.646 1.00 0.00 N ATOM 693 CA ASP A 46 -9.827 -10.273 7.359 1.00 0.00 C ATOM 694 C ASP A 46 -10.012 -9.161 6.332 1.00 0.00 C ATOM 695 O ASP A 46 -10.069 -9.418 5.129 1.00 0.00 O ATOM 696 CB ASP A 46 -11.127 -11.063 7.512 1.00 0.00 C ATOM 697 CG ASP A 46 -10.981 -12.239 8.458 1.00 0.00 C ATOM 698 OD1 ASP A 46 -10.628 -13.341 7.985 1.00 0.00 O ATOM 699 OD2 ASP A 46 -11.221 -12.061 9.670 1.00 0.00 O ATOM 0 H ASP A 46 -10.171 -9.350 9.210 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.043 -10.943 7.005 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.911 -10.400 7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.447 -11.424 6.534 1.00 0.00 H new ATOM 704 N THR A 47 -10.100 -7.923 6.813 1.00 0.00 N ATOM 705 CA THR A 47 -10.234 -6.770 5.931 1.00 0.00 C ATOM 706 C THR A 47 -9.245 -5.677 6.293 1.00 0.00 C ATOM 707 O THR A 47 -8.746 -5.616 7.417 1.00 0.00 O ATOM 708 CB THR A 47 -11.651 -6.170 5.981 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.986 -5.819 7.329 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.682 -7.145 5.440 1.00 0.00 C ATOM 0 H THR A 47 -10.081 -7.694 7.807 1.00 0.00 H new ATOM 0 HA THR A 47 -10.031 -7.136 4.925 1.00 0.00 H new ATOM 0 HB THR A 47 -11.660 -5.278 5.355 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.888 -5.436 7.353 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.672 -6.692 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.445 -7.388 4.404 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.670 -8.056 6.038 1.00 0.00 H new ATOM 718 N TYR A 48 -8.995 -4.793 5.337 1.00 0.00 N ATOM 719 CA TYR A 48 -8.207 -3.600 5.589 1.00 0.00 C ATOM 720 C TYR A 48 -8.869 -2.375 4.991 1.00 0.00 C ATOM 721 O TYR A 48 -9.988 -2.441 4.482 1.00 0.00 O ATOM 722 CB TYR A 48 -6.819 -3.750 4.987 1.00 0.00 C ATOM 723 CG TYR A 48 -5.943 -4.717 5.729 1.00 0.00 C ATOM 724 CD1 TYR A 48 -6.095 -6.084 5.567 1.00 0.00 C ATOM 725 CD2 TYR A 48 -4.955 -4.258 6.584 1.00 0.00 C ATOM 726 CE1 TYR A 48 -5.281 -6.970 6.240 1.00 0.00 C ATOM 727 CE2 TYR A 48 -4.133 -5.142 7.259 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.303 -6.499 7.079 1.00 0.00 C ATOM 729 OH TYR A 48 -3.494 -7.391 7.735 1.00 0.00 O ATOM 0 H TYR A 48 -9.329 -4.882 4.377 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.132 -3.474 6.669 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.915 -4.080 3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.333 -2.774 4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.861 -6.461 4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.825 -3.195 6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.413 -8.034 6.107 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.364 -4.773 7.922 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.039 -7.961 8.316 1.00 0.00 H new ATOM 739 N THR A 49 -8.133 -1.274 4.998 1.00 0.00 N ATOM 740 CA THR A 49 -8.458 -0.139 4.148 1.00 0.00 C ATOM 741 C THR A 49 -7.184 0.541 3.662 1.00 0.00 C ATOM 742 O THR A 49 -6.109 0.324 4.212 1.00 0.00 O ATOM 743 CB THR A 49 -9.337 0.902 4.868 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.561 1.614 5.838 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.525 0.243 5.553 1.00 0.00 C ATOM 0 H THR A 49 -7.307 -1.142 5.582 1.00 0.00 H new ATOM 0 HA THR A 49 -9.022 -0.533 3.303 1.00 0.00 H new ATOM 0 HB THR A 49 -9.714 1.597 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.127 2.274 6.289 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.125 1.004 6.052 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.135 -0.271 4.810 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.167 -0.477 6.289 1.00 0.00 H new ATOM 753 N MET A 50 -7.311 1.326 2.601 1.00 0.00 N ATOM 754 CA MET A 50 -6.151 1.788 1.846 1.00 0.00 C ATOM 755 C MET A 50 -5.293 2.755 2.656 1.00 0.00 C ATOM 756 O MET A 50 -4.190 3.108 2.241 1.00 0.00 O ATOM 757 CB MET A 50 -6.604 2.454 0.552 1.00 0.00 C ATOM 758 CG MET A 50 -6.932 1.467 -0.554 1.00 0.00 C ATOM 759 SD MET A 50 -7.155 2.262 -2.157 1.00 0.00 S ATOM 760 CE MET A 50 -5.541 2.999 -2.397 1.00 0.00 C ATOM 0 H MET A 50 -8.206 1.657 2.242 1.00 0.00 H new ATOM 0 HA MET A 50 -5.539 0.916 1.615 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.483 3.065 0.756 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.821 3.128 0.206 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.131 0.731 -0.627 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.841 0.925 -0.293 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.211 2.827 -3.422 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.599 4.071 -2.209 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.829 2.548 -1.706 1.00 0.00 H new ATOM 770 N LYS A 51 -5.791 3.168 3.818 1.00 0.00 N ATOM 771 CA LYS A 51 -5.018 4.021 4.712 1.00 0.00 C ATOM 772 C LYS A 51 -4.201 3.162 5.663 1.00 0.00 C ATOM 773 O LYS A 51 -3.007 3.394 5.874 1.00 0.00 O ATOM 774 CB LYS A 51 -5.942 4.950 5.502 1.00 0.00 C ATOM 775 CG LYS A 51 -5.206 5.881 6.452 1.00 0.00 C ATOM 776 CD LYS A 51 -6.167 6.770 7.226 1.00 0.00 C ATOM 777 CE LYS A 51 -6.901 7.737 6.308 1.00 0.00 C ATOM 778 NZ LYS A 51 -7.844 8.609 7.061 1.00 0.00 N ATOM 0 H LYS A 51 -6.721 2.927 4.160 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.344 4.635 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.527 5.547 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.648 4.346 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.612 5.292 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.511 6.502 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.891 6.150 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.616 7.331 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.177 8.357 5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.450 7.175 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.324 9.253 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.551 8.019 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.317 9.165 7.764 1.00 0.00 H new ATOM 792 N GLU A 52 -4.850 2.133 6.190 1.00 0.00 N ATOM 793 CA GLU A 52 -4.156 1.066 6.891 1.00 0.00 C ATOM 794 C GLU A 52 -3.057 0.483 6.012 1.00 0.00 C ATOM 795 O GLU A 52 -1.882 0.526 6.363 1.00 0.00 O ATOM 796 CB GLU A 52 -5.147 -0.027 7.277 1.00 0.00 C ATOM 797 CG GLU A 52 -4.784 -0.753 8.561 1.00 0.00 C ATOM 798 CD GLU A 52 -5.778 -1.842 8.916 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.991 -1.632 8.704 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.344 -2.905 9.407 1.00 0.00 O ATOM 0 H GLU A 52 -5.862 2.016 6.144 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.702 1.475 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.137 0.415 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.210 -0.752 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.791 -1.192 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.731 -0.034 9.378 1.00 0.00 H new ATOM 807 N VAL A 53 -3.454 -0.051 4.861 1.00 0.00 N ATOM 808 CA VAL A 53 -2.508 -0.612 3.905 1.00 0.00 C ATOM 809 C VAL A 53 -1.457 0.415 3.500 1.00 0.00 C ATOM 810 O VAL A 53 -0.316 0.061 3.209 1.00 0.00 O ATOM 811 CB VAL A 53 -3.225 -1.117 2.638 1.00 0.00 C ATOM 812 CG1 VAL A 53 -2.250 -1.845 1.726 1.00 0.00 C ATOM 813 CG2 VAL A 53 -4.390 -2.021 3.007 1.00 0.00 C ATOM 0 H VAL A 53 -4.429 -0.107 4.568 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.020 -1.451 4.401 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.618 -0.255 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.775 -2.194 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.450 -1.165 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.825 -2.698 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.884 -2.367 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.021 -2.879 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.102 -1.466 3.618 1.00 0.00 H new ATOM 823 N LEU A 54 -1.844 1.688 3.489 1.00 0.00 N ATOM 824 CA LEU A 54 -0.911 2.763 3.172 1.00 0.00 C ATOM 825 C LEU A 54 0.348 2.647 4.026 1.00 0.00 C ATOM 826 O LEU A 54 1.435 2.369 3.513 1.00 0.00 O ATOM 827 CB LEU A 54 -1.573 4.128 3.389 1.00 0.00 C ATOM 828 CG LEU A 54 -0.830 5.322 2.778 1.00 0.00 C ATOM 829 CD1 LEU A 54 -1.779 6.495 2.586 1.00 0.00 C ATOM 830 CD2 LEU A 54 0.352 5.728 3.646 1.00 0.00 C ATOM 0 H LEU A 54 -2.793 1.998 3.695 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.629 2.674 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.579 4.096 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.678 4.296 4.461 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.446 5.022 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.236 7.335 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.589 6.202 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.192 6.790 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.863 6.577 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.004 6.007 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.045 4.891 3.732 1.00 0.00 H new ATOM 842 N PHE A 55 0.201 2.864 5.330 1.00 0.00 N ATOM 843 CA PHE A 55 1.348 2.832 6.232 1.00 0.00 C ATOM 844 C PHE A 55 1.822 1.399 6.461 1.00 0.00 C ATOM 845 O PHE A 55 3.021 1.140 6.532 1.00 0.00 O ATOM 846 CB PHE A 55 1.008 3.501 7.569 1.00 0.00 C ATOM 847 CG PHE A 55 0.213 2.638 8.509 1.00 0.00 C ATOM 848 CD1 PHE A 55 -1.171 2.608 8.441 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.848 1.861 9.466 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.904 1.819 9.309 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.119 1.071 10.335 1.00 0.00 C ATOM 852 CZ PHE A 55 -1.259 1.051 10.256 1.00 0.00 C ATOM 0 H PHE A 55 -0.692 3.062 5.782 1.00 0.00 H new ATOM 0 HA PHE A 55 2.158 3.390 5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.935 3.795 8.061 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.448 4.415 7.372 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.683 3.207 7.702 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.926 1.873 9.533 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.982 1.804 9.245 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.627 0.470 11.075 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.831 0.435 10.934 1.00 0.00 H new ATOM 862 N TYR A 56 0.871 0.478 6.591 1.00 0.00 N ATOM 863 CA TYR A 56 1.185 -0.907 6.930 1.00 0.00 C ATOM 864 C TYR A 56 2.081 -1.549 5.882 1.00 0.00 C ATOM 865 O TYR A 56 3.051 -2.227 6.217 1.00 0.00 O ATOM 866 CB TYR A 56 -0.094 -1.729 7.095 1.00 0.00 C ATOM 867 CG TYR A 56 -0.311 -2.221 8.509 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.769 -2.518 9.333 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.591 -2.391 9.017 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.578 -2.970 10.623 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.791 -2.842 10.308 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.704 -3.130 11.107 1.00 0.00 C ATOM 873 OH TYR A 56 -0.900 -3.581 12.393 1.00 0.00 O ATOM 0 H TYR A 56 -0.124 0.666 6.467 1.00 0.00 H new ATOM 0 HA TYR A 56 1.724 -0.894 7.878 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.948 -1.123 6.793 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.057 -2.585 6.421 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.774 -2.393 8.957 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.444 -2.167 8.394 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.427 -3.197 11.250 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.793 -2.968 10.689 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.861 -3.637 12.577 1.00 0.00 H new ATOM 883 N LEU A 57 1.767 -1.325 4.614 1.00 0.00 N ATOM 884 CA LEU A 57 2.622 -1.795 3.537 1.00 0.00 C ATOM 885 C LEU A 57 3.957 -1.069 3.576 1.00 0.00 C ATOM 886 O LEU A 57 5.013 -1.689 3.475 1.00 0.00 O ATOM 887 CB LEU A 57 1.949 -1.583 2.178 1.00 0.00 C ATOM 888 CG LEU A 57 2.074 -2.747 1.192 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.486 -3.320 1.201 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.052 -3.827 1.511 1.00 0.00 C ATOM 0 H LEU A 57 0.932 -0.824 4.309 1.00 0.00 H new ATOM 0 HA LEU A 57 2.792 -2.863 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.891 -1.382 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.374 -0.692 1.717 1.00 0.00 H new ATOM 0 HG LEU A 57 1.873 -2.368 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.548 -4.146 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.196 -2.543 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.726 -3.682 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.155 -4.647 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.220 -4.200 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.048 -3.410 1.440 1.00 0.00 H new ATOM 902 N GLY A 58 3.901 0.247 3.763 1.00 0.00 N ATOM 903 CA GLY A 58 5.112 1.008 4.004 1.00 0.00 C ATOM 904 C GLY A 58 5.979 0.375 5.074 1.00 0.00 C ATOM 905 O GLY A 58 7.207 0.408 4.987 1.00 0.00 O ATOM 0 H GLY A 58 3.042 0.797 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.680 1.087 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.849 2.022 4.304 1.00 0.00 H new ATOM 909 N GLN A 59 5.335 -0.220 6.077 1.00 0.00 N ATOM 910 CA GLN A 59 6.054 -0.912 7.139 1.00 0.00 C ATOM 911 C GLN A 59 6.835 -2.094 6.581 1.00 0.00 C ATOM 912 O GLN A 59 8.064 -2.111 6.627 1.00 0.00 O ATOM 913 CB GLN A 59 5.088 -1.402 8.223 1.00 0.00 C ATOM 914 CG GLN A 59 4.242 -0.302 8.844 1.00 0.00 C ATOM 915 CD GLN A 59 5.064 0.893 9.287 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.540 0.948 10.421 1.00 0.00 O ATOM 917 NE2 GLN A 59 5.235 1.859 8.391 1.00 0.00 N ATOM 0 H GLN A 59 4.320 -0.235 6.174 1.00 0.00 H new ATOM 0 HA GLN A 59 6.752 -0.202 7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.427 -2.154 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.661 -1.893 9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.493 0.025 8.123 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.703 -0.705 9.702 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.822 1.772 7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.779 2.688 8.632 1.00 0.00 H new ATOM 926 N TYR A 60 6.114 -3.096 6.079 1.00 0.00 N ATOM 927 CA TYR A 60 6.736 -4.356 5.687 1.00 0.00 C ATOM 928 C TYR A 60 7.862 -4.117 4.683 1.00 0.00 C ATOM 929 O TYR A 60 8.902 -4.774 4.736 1.00 0.00 O ATOM 930 CB TYR A 60 5.693 -5.305 5.094 1.00 0.00 C ATOM 931 CG TYR A 60 6.201 -6.714 4.892 1.00 0.00 C ATOM 932 CD1 TYR A 60 7.048 -7.028 3.839 1.00 0.00 C ATOM 933 CD2 TYR A 60 5.830 -7.730 5.761 1.00 0.00 C ATOM 934 CE1 TYR A 60 7.512 -8.315 3.658 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.291 -9.019 5.588 1.00 0.00 C ATOM 936 CZ TYR A 60 7.132 -9.307 4.535 1.00 0.00 C ATOM 937 OH TYR A 60 7.596 -10.590 4.360 1.00 0.00 O ATOM 0 H TYR A 60 5.105 -3.059 5.936 1.00 0.00 H new ATOM 0 HA TYR A 60 7.162 -4.815 6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.824 -5.332 5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.356 -4.908 4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.349 -6.253 3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.170 -7.508 6.586 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.170 -8.543 2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.994 -9.798 6.274 1.00 0.00 H new ATOM 0 HH TYR A 60 8.233 -10.609 3.616 1.00 0.00 H new ATOM 947 N ILE A 61 7.651 -3.171 3.774 1.00 0.00 N ATOM 948 CA ILE A 61 8.664 -2.823 2.782 1.00 0.00 C ATOM 949 C ILE A 61 9.947 -2.353 3.457 1.00 0.00 C ATOM 950 O ILE A 61 10.963 -3.049 3.441 1.00 0.00 O ATOM 951 CB ILE A 61 8.169 -1.709 1.839 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.817 -2.076 1.235 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.184 -1.452 0.736 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.121 -0.900 0.588 1.00 0.00 C ATOM 0 H ILE A 61 6.788 -2.631 3.703 1.00 0.00 H new ATOM 0 HA ILE A 61 8.861 -3.724 2.202 1.00 0.00 H new ATOM 0 HB ILE A 61 8.051 -0.797 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.958 -2.861 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.176 -2.486 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.817 -0.662 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.132 -1.145 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.332 -2.364 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.165 -1.224 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.951 -0.123 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.745 -0.504 -0.213 1.00 0.00 H new ATOM 966 N MET A 62 9.895 -1.153 4.026 1.00 0.00 N ATOM 967 CA MET A 62 11.092 -0.506 4.563 1.00 0.00 C ATOM 968 C MET A 62 11.707 -1.309 5.710 1.00 0.00 C ATOM 969 O MET A 62 12.860 -1.090 6.077 1.00 0.00 O ATOM 970 CB MET A 62 10.759 0.908 5.043 1.00 0.00 C ATOM 971 CG MET A 62 9.867 0.942 6.274 1.00 0.00 C ATOM 972 SD MET A 62 9.491 2.619 6.815 1.00 0.00 S ATOM 973 CE MET A 62 11.130 3.223 7.206 1.00 0.00 C ATOM 0 H MET A 62 9.039 -0.608 4.128 1.00 0.00 H new ATOM 0 HA MET A 62 11.825 -0.456 3.758 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.687 1.435 5.263 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.268 1.450 4.235 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.936 0.417 6.058 1.00 0.00 H new ATOM 0 HG3 MET A 62 10.355 0.404 7.086 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.052 4.084 7.870 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.700 2.435 7.698 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.637 3.519 6.288 1.00 0.00 H new ATOM 983 N THR A 63 10.924 -2.210 6.300 1.00 0.00 N ATOM 984 CA THR A 63 11.336 -2.886 7.527 1.00 0.00 C ATOM 985 C THR A 63 12.038 -4.209 7.237 1.00 0.00 C ATOM 986 O THR A 63 13.064 -4.520 7.844 1.00 0.00 O ATOM 987 CB THR A 63 10.133 -3.151 8.456 1.00 0.00 C ATOM 988 OG1 THR A 63 9.511 -1.912 8.817 1.00 0.00 O ATOM 989 CG2 THR A 63 10.568 -3.889 9.713 1.00 0.00 C ATOM 0 H THR A 63 10.007 -2.487 5.951 1.00 0.00 H new ATOM 0 HA THR A 63 12.036 -2.216 8.025 1.00 0.00 H new ATOM 0 HB THR A 63 9.419 -3.774 7.918 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.847 -1.669 8.138 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.701 -4.063 10.351 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.014 -4.845 9.438 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.300 -3.288 10.252 1.00 0.00 H new ATOM 997 N LYS A 64 11.469 -5.000 6.334 1.00 0.00 N ATOM 998 CA LYS A 64 11.933 -6.368 6.116 1.00 0.00 C ATOM 999 C LYS A 64 13.217 -6.399 5.293 1.00 0.00 C ATOM 1000 O LYS A 64 13.601 -7.441 4.762 1.00 0.00 O ATOM 1001 CB LYS A 64 10.848 -7.196 5.427 1.00 0.00 C ATOM 1002 CG LYS A 64 9.611 -7.416 6.286 1.00 0.00 C ATOM 1003 CD LYS A 64 9.930 -8.236 7.526 1.00 0.00 C ATOM 1004 CE LYS A 64 8.688 -8.479 8.368 1.00 0.00 C ATOM 1005 NZ LYS A 64 8.066 -7.204 8.821 1.00 0.00 N ATOM 0 H LYS A 64 10.687 -4.720 5.742 1.00 0.00 H new ATOM 0 HA LYS A 64 12.148 -6.803 7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.554 -6.698 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.264 -8.164 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.197 -6.452 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.846 -7.925 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.363 -9.192 7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.680 -7.718 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.963 -9.051 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.951 -9.083 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.365 -7.404 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.802 -6.575 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.597 -6.741 8.016 1.00 0.00 H new ATOM 1019 N ARG A 65 13.890 -5.256 5.217 1.00 0.00 N ATOM 1020 CA ARG A 65 15.199 -5.172 4.577 1.00 0.00 C ATOM 1021 C ARG A 65 15.122 -5.532 3.095 1.00 0.00 C ATOM 1022 O ARG A 65 16.130 -5.883 2.482 1.00 0.00 O ATOM 1023 CB ARG A 65 16.199 -6.089 5.286 1.00 0.00 C ATOM 1024 CG ARG A 65 16.393 -5.755 6.758 1.00 0.00 C ATOM 1025 CD ARG A 65 17.406 -6.681 7.410 1.00 0.00 C ATOM 1026 NE ARG A 65 17.609 -6.365 8.821 1.00 0.00 N ATOM 1027 CZ ARG A 65 18.479 -6.997 9.602 1.00 0.00 C ATOM 1028 NH1 ARG A 65 19.225 -7.978 9.110 1.00 0.00 N ATOM 1029 NH2 ARG A 65 18.606 -6.649 10.874 1.00 0.00 N ATOM 0 H ARG A 65 13.549 -4.371 5.592 1.00 0.00 H new ATOM 0 HA ARG A 65 15.539 -4.140 4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.859 -7.121 5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.161 -6.026 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.726 -4.722 6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.439 -5.833 7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.068 -7.713 7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.357 -6.607 6.882 1.00 0.00 H new ATOM 0 HE ARG A 65 17.051 -5.616 9.231 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.131 -8.248 8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.892 -8.462 9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.035 -5.895 11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.274 -7.135 11.472 1.00 0.00 H new ATOM 1043 N LEU A 66 13.932 -5.408 2.518 1.00 0.00 N ATOM 1044 CA LEU A 66 13.775 -5.518 1.070 1.00 0.00 C ATOM 1045 C LEU A 66 14.047 -4.178 0.396 1.00 0.00 C ATOM 1046 O LEU A 66 14.142 -4.096 -0.829 1.00 0.00 O ATOM 1047 CB LEU A 66 12.366 -6.003 0.711 1.00 0.00 C ATOM 1048 CG LEU A 66 12.140 -7.518 0.801 1.00 0.00 C ATOM 1049 CD1 LEU A 66 13.195 -8.270 0.001 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.137 -7.980 2.249 1.00 0.00 C ATOM 0 H LEU A 66 13.065 -5.232 3.026 1.00 0.00 H new ATOM 0 HA LEU A 66 14.500 -6.248 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.653 -5.508 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.139 -5.680 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 66 11.163 -7.739 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.015 -9.342 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.142 -7.968 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.184 -8.038 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.975 -9.057 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.096 -7.741 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.338 -7.474 2.791 1.00 0.00 H new ATOM 1062 N TYR A 67 14.160 -3.128 1.203 1.00 0.00 N ATOM 1063 CA TYR A 67 14.335 -1.775 0.685 1.00 0.00 C ATOM 1064 C TYR A 67 15.794 -1.507 0.322 1.00 0.00 C ATOM 1065 O TYR A 67 16.673 -2.327 0.586 1.00 0.00 O ATOM 1066 CB TYR A 67 13.842 -0.744 1.708 1.00 0.00 C ATOM 1067 CG TYR A 67 14.692 -0.647 2.956 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.902 -1.750 3.773 1.00 0.00 C ATOM 1069 CD2 TYR A 67 15.282 0.558 3.319 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.674 -1.658 4.915 1.00 0.00 C ATOM 1071 CE2 TYR A 67 16.054 0.659 4.460 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.249 -0.452 5.253 1.00 0.00 C ATOM 1073 OH TYR A 67 17.019 -0.354 6.390 1.00 0.00 O ATOM 0 H TYR A 67 14.133 -3.188 2.221 1.00 0.00 H new ATOM 0 HA TYR A 67 13.740 -1.683 -0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.806 0.235 1.231 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.821 -0.996 1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.454 -2.697 3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.134 1.430 2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.826 -2.526 5.539 1.00 0.00 H new ATOM 0 HE2 TYR A 67 16.503 1.604 4.730 1.00 0.00 H new ATOM 0 HH TYR A 67 17.350 0.564 6.483 1.00 0.00 H new ATOM 1083 N ASP A 68 16.031 -0.368 -0.324 1.00 0.00 N ATOM 1084 CA ASP A 68 17.323 -0.081 -0.941 1.00 0.00 C ATOM 1085 C ASP A 68 18.360 0.314 0.108 1.00 0.00 C ATOM 1086 O ASP A 68 19.543 0.464 -0.202 1.00 0.00 O ATOM 1087 CB ASP A 68 17.167 1.037 -1.977 1.00 0.00 C ATOM 1088 CG ASP A 68 18.494 1.497 -2.550 1.00 0.00 C ATOM 1089 OD1 ASP A 68 18.953 0.898 -3.542 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.073 2.457 -2.002 1.00 0.00 O ATOM 0 H ASP A 68 15.341 0.375 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 68 17.674 -0.986 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.528 0.688 -2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.662 1.886 -1.516 1.00 0.00 H new ATOM 1095 N GLU A 69 17.908 0.462 1.353 1.00 0.00 N ATOM 1096 CA GLU A 69 18.802 0.719 2.484 1.00 0.00 C ATOM 1097 C GLU A 69 19.325 2.156 2.473 1.00 0.00 C ATOM 1098 O GLU A 69 19.803 2.656 3.492 1.00 0.00 O ATOM 1099 CB GLU A 69 19.973 -0.269 2.480 1.00 0.00 C ATOM 1100 CG GLU A 69 20.922 -0.098 3.655 1.00 0.00 C ATOM 1101 CD GLU A 69 22.074 -1.084 3.625 1.00 0.00 C ATOM 1102 OE1 GLU A 69 23.118 -0.758 3.023 1.00 0.00 O ATOM 1103 OE2 GLU A 69 21.930 -2.182 4.203 1.00 0.00 O ATOM 0 H GLU A 69 16.921 0.408 1.606 1.00 0.00 H new ATOM 0 HA GLU A 69 18.223 0.580 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 69 19.579 -1.285 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.533 -0.151 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.318 0.917 3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.368 -0.221 4.585 1.00 0.00 H new ATOM 1110 N LYS A 70 19.234 2.817 1.323 1.00 0.00 N ATOM 1111 CA LYS A 70 19.723 4.187 1.194 1.00 0.00 C ATOM 1112 C LYS A 70 18.597 5.193 1.408 1.00 0.00 C ATOM 1113 O LYS A 70 18.552 5.880 2.429 1.00 0.00 O ATOM 1114 CB LYS A 70 20.362 4.401 -0.179 1.00 0.00 C ATOM 1115 CG LYS A 70 21.559 3.501 -0.441 1.00 0.00 C ATOM 1116 CD LYS A 70 22.151 3.749 -1.818 1.00 0.00 C ATOM 1117 CE LYS A 70 23.346 2.847 -2.083 1.00 0.00 C ATOM 1118 NZ LYS A 70 22.979 1.405 -2.024 1.00 0.00 N ATOM 0 H LYS A 70 18.829 2.429 0.471 1.00 0.00 H new ATOM 0 HA LYS A 70 20.478 4.347 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.612 4.227 -0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.674 5.442 -0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 70 22.320 3.675 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 70 21.256 2.457 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.389 3.578 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.456 4.792 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.762 3.075 -3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.126 3.053 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.745 0.835 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.833 1.124 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.103 1.248 -2.561 1.00 0.00 H new ATOM 1132 N GLN A 71 17.694 5.287 0.435 1.00 0.00 N ATOM 1133 CA GLN A 71 16.601 6.251 0.501 1.00 0.00 C ATOM 1134 C GLN A 71 15.276 5.559 0.795 1.00 0.00 C ATOM 1135 O GLN A 71 14.217 6.187 0.781 1.00 0.00 O ATOM 1136 CB GLN A 71 16.502 7.038 -0.808 1.00 0.00 C ATOM 1137 CG GLN A 71 17.755 7.835 -1.136 1.00 0.00 C ATOM 1138 CD GLN A 71 18.078 8.876 -0.080 1.00 0.00 C ATOM 1139 OE1 GLN A 71 17.622 10.017 -0.157 1.00 0.00 O ATOM 1140 NE2 GLN A 71 18.867 8.485 0.913 1.00 0.00 N ATOM 0 H GLN A 71 17.698 4.709 -0.405 1.00 0.00 H new ATOM 0 HA GLN A 71 16.814 6.943 1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.298 6.345 -1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.653 7.719 -0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.599 7.153 -1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.626 8.328 -2.099 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.222 7.529 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.118 9.140 1.653 1.00 0.00 H new ATOM 1149 N GLN A 72 15.352 4.265 1.079 1.00 0.00 N ATOM 1150 CA GLN A 72 14.179 3.487 1.472 1.00 0.00 C ATOM 1151 C GLN A 72 13.062 3.598 0.436 1.00 0.00 C ATOM 1152 O GLN A 72 11.908 3.275 0.723 1.00 0.00 O ATOM 1153 CB GLN A 72 13.666 3.957 2.836 1.00 0.00 C ATOM 1154 CG GLN A 72 14.725 3.932 3.927 1.00 0.00 C ATOM 1155 CD GLN A 72 14.193 4.405 5.267 1.00 0.00 C ATOM 1156 OE1 GLN A 72 13.285 5.234 5.330 1.00 0.00 O ATOM 1157 NE2 GLN A 72 14.758 3.879 6.346 1.00 0.00 N ATOM 0 H GLN A 72 16.218 3.727 1.045 1.00 0.00 H new ATOM 0 HA GLN A 72 14.481 2.442 1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.280 4.972 2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.831 3.325 3.138 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.111 2.918 4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.563 4.563 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.508 3.195 6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.442 4.159 7.275 1.00 0.00 H new ATOM 1166 N HIS A 73 13.403 4.053 -0.766 1.00 0.00 N ATOM 1167 CA HIS A 73 12.416 4.207 -1.831 1.00 0.00 C ATOM 1168 C HIS A 73 12.430 3.006 -2.769 1.00 0.00 C ATOM 1169 O HIS A 73 11.390 2.401 -3.028 1.00 0.00 O ATOM 1170 CB HIS A 73 12.672 5.489 -2.622 1.00 0.00 C ATOM 1171 CG HIS A 73 12.469 6.740 -1.822 1.00 0.00 C ATOM 1172 ND1 HIS A 73 13.475 7.648 -1.576 1.00 0.00 N ATOM 1173 CD2 HIS A 73 11.363 7.233 -1.216 1.00 0.00 C ATOM 1174 CE1 HIS A 73 12.999 8.645 -0.852 1.00 0.00 C ATOM 1175 NE2 HIS A 73 11.719 8.417 -0.620 1.00 0.00 N ATOM 0 H HIS A 73 14.352 4.321 -1.027 1.00 0.00 H new ATOM 0 HA HIS A 73 11.433 4.270 -1.365 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.693 5.473 -3.002 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.010 5.510 -3.487 1.00 0.00 H new ATOM 0 HD2 HIS A 73 10.383 6.779 -1.204 1.00 0.00 H new ATOM 0 HE1 HIS A 73 13.561 9.501 -0.508 1.00 0.00 H new ATOM 0 HE2 HIS A 73 11.096 9.022 -0.085 1.00 0.00 H new ATOM 1184 N ILE A 74 13.612 2.646 -3.262 1.00 0.00 N ATOM 1185 CA ILE A 74 13.753 1.436 -4.062 1.00 0.00 C ATOM 1186 C ILE A 74 13.660 0.205 -3.173 1.00 0.00 C ATOM 1187 O ILE A 74 14.109 0.222 -2.029 1.00 0.00 O ATOM 1188 CB ILE A 74 15.092 1.394 -4.827 1.00 0.00 C ATOM 1189 CG1 ILE A 74 15.370 2.730 -5.520 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.074 0.266 -5.846 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.273 3.175 -6.464 1.00 0.00 C ATOM 0 H ILE A 74 14.476 3.169 -3.123 1.00 0.00 H new ATOM 0 HA ILE A 74 12.942 1.443 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 74 15.892 1.213 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.515 3.498 -4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.304 2.651 -6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.023 0.244 -6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.924 -0.685 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.262 0.429 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.546 4.129 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.142 2.428 -7.247 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.341 3.288 -5.911 1.00 0.00 H new ATOM 1203 N VAL A 75 13.057 -0.857 -3.692 1.00 0.00 N ATOM 1204 CA VAL A 75 12.824 -2.055 -2.897 1.00 0.00 C ATOM 1205 C VAL A 75 13.175 -3.310 -3.676 1.00 0.00 C ATOM 1206 O VAL A 75 12.325 -3.894 -4.350 1.00 0.00 O ATOM 1207 CB VAL A 75 11.360 -2.155 -2.442 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.235 -3.102 -1.259 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.809 -0.780 -2.107 1.00 0.00 C ATOM 0 H VAL A 75 12.722 -0.913 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 75 13.469 -1.976 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 75 10.767 -2.561 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.192 -3.161 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.585 -4.093 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.839 -2.731 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.771 -0.872 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.399 -0.338 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.861 -0.142 -2.989 1.00 0.00 H new ATOM 1219 N TYR A 76 14.426 -3.735 -3.559 1.00 0.00 N ATOM 1220 CA TYR A 76 14.861 -5.000 -4.129 1.00 0.00 C ATOM 1221 C TYR A 76 14.219 -6.177 -3.400 1.00 0.00 C ATOM 1222 O TYR A 76 14.561 -6.475 -2.256 1.00 0.00 O ATOM 1223 CB TYR A 76 16.382 -5.095 -4.063 1.00 0.00 C ATOM 1224 CG TYR A 76 17.066 -3.828 -4.521 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.711 -3.223 -5.718 1.00 0.00 C ATOM 1226 CD2 TYR A 76 18.061 -3.234 -3.755 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.329 -2.064 -6.144 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.683 -2.074 -4.173 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.314 -1.494 -5.367 1.00 0.00 C ATOM 1230 OH TYR A 76 18.933 -0.340 -5.790 1.00 0.00 O ATOM 0 H TYR A 76 15.159 -3.219 -3.072 1.00 0.00 H new ATOM 0 HA TYR A 76 14.544 -5.042 -5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.684 -5.316 -3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.717 -5.928 -4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.938 -3.666 -6.327 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.353 -3.686 -2.819 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.042 -1.607 -7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.455 -1.624 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 76 18.817 0.360 -5.114 1.00 0.00 H new ATOM 1240 N CYS A 77 13.272 -6.830 -4.068 1.00 0.00 N ATOM 1241 CA CYS A 77 12.500 -7.903 -3.451 1.00 0.00 C ATOM 1242 C CYS A 77 12.055 -8.926 -4.494 1.00 0.00 C ATOM 1243 O CYS A 77 10.900 -8.932 -4.922 1.00 0.00 O ATOM 1244 CB CYS A 77 11.280 -7.328 -2.725 1.00 0.00 C ATOM 1245 SG CYS A 77 10.213 -6.305 -3.766 1.00 0.00 S ATOM 0 H CYS A 77 13.021 -6.634 -5.037 1.00 0.00 H new ATOM 0 HA CYS A 77 13.140 -8.408 -2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.692 -8.151 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 77 11.622 -6.732 -1.879 1.00 0.00 H new ATOM 0 HG CYS A 77 10.867 -5.251 -4.155 1.00 0.00 H new ATOM 1251 N SER A 78 12.982 -9.787 -4.902 1.00 0.00 N ATOM 1252 CA SER A 78 12.695 -10.801 -5.912 1.00 0.00 C ATOM 1253 C SER A 78 12.245 -12.107 -5.266 1.00 0.00 C ATOM 1254 O SER A 78 11.969 -13.089 -5.955 1.00 0.00 O ATOM 1255 CB SER A 78 13.929 -11.047 -6.781 1.00 0.00 C ATOM 1256 OG SER A 78 14.332 -9.862 -7.445 1.00 0.00 O ATOM 0 H SER A 78 13.939 -9.803 -4.549 1.00 0.00 H new ATOM 0 HA SER A 78 11.883 -10.431 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.746 -11.416 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.711 -11.823 -7.515 1.00 0.00 H new ATOM 0 HG SER A 78 15.124 -10.047 -7.992 1.00 0.00 H new ATOM 1262 N ASN A 79 12.170 -12.110 -3.939 1.00 0.00 N ATOM 1263 CA ASN A 79 11.745 -13.294 -3.198 1.00 0.00 C ATOM 1264 C ASN A 79 11.228 -12.911 -1.814 1.00 0.00 C ATOM 1265 O ASN A 79 11.853 -13.211 -0.798 1.00 0.00 O ATOM 1266 CB ASN A 79 12.903 -14.289 -3.073 1.00 0.00 C ATOM 1267 CG ASN A 79 14.125 -13.686 -2.407 1.00 0.00 C ATOM 1268 OD1 ASN A 79 14.381 -12.488 -2.516 1.00 0.00 O ATOM 1269 ND2 ASN A 79 14.888 -14.520 -1.709 1.00 0.00 N ATOM 0 H ASN A 79 12.398 -11.306 -3.354 1.00 0.00 H new ATOM 0 HA ASN A 79 10.933 -13.767 -3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.572 -15.155 -2.499 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.176 -14.649 -4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.723 -14.173 -1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.638 -15.507 -1.645 1.00 0.00 H new ATOM 1276 N ASP A 80 10.085 -12.232 -1.787 1.00 0.00 N ATOM 1277 CA ASP A 80 9.525 -11.727 -0.537 1.00 0.00 C ATOM 1278 C ASP A 80 7.998 -11.787 -0.561 1.00 0.00 C ATOM 1279 O ASP A 80 7.389 -11.954 -1.619 1.00 0.00 O ATOM 1280 CB ASP A 80 9.990 -10.288 -0.302 1.00 0.00 C ATOM 1281 CG ASP A 80 9.560 -9.751 1.049 1.00 0.00 C ATOM 1282 OD1 ASP A 80 9.568 -10.528 2.028 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.220 -8.553 1.128 1.00 0.00 O ATOM 0 H ASP A 80 9.529 -12.019 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 80 9.879 -12.357 0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.076 -10.244 -0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.590 -9.648 -1.088 1.00 0.00 H new ATOM 1288 N LEU A 81 7.384 -11.620 0.607 1.00 0.00 N ATOM 1289 CA LEU A 81 5.940 -11.440 0.681 1.00 0.00 C ATOM 1290 C LEU A 81 5.517 -10.212 -0.116 1.00 0.00 C ATOM 1291 O LEU A 81 4.492 -10.221 -0.800 1.00 0.00 O ATOM 1292 CB LEU A 81 5.487 -11.306 2.139 1.00 0.00 C ATOM 1293 CG LEU A 81 5.424 -12.619 2.930 1.00 0.00 C ATOM 1294 CD1 LEU A 81 4.450 -13.591 2.279 1.00 0.00 C ATOM 1295 CD2 LEU A 81 6.806 -13.244 3.051 1.00 0.00 C ATOM 0 H LEU A 81 7.861 -11.606 1.508 1.00 0.00 H new ATOM 0 HA LEU A 81 5.462 -12.320 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.166 -10.624 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.500 -10.844 2.154 1.00 0.00 H new ATOM 0 HG LEU A 81 5.064 -12.394 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.420 -14.516 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.455 -13.147 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.777 -13.807 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.737 -14.174 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.200 -13.452 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.473 -12.554 3.568 1.00 0.00 H new ATOM 1307 N LEU A 82 6.342 -9.169 -0.057 1.00 0.00 N ATOM 1308 CA LEU A 82 6.177 -8.022 -0.941 1.00 0.00 C ATOM 1309 C LEU A 82 6.181 -8.475 -2.396 1.00 0.00 C ATOM 1310 O LEU A 82 5.531 -7.873 -3.248 1.00 0.00 O ATOM 1311 CB LEU A 82 7.298 -7.004 -0.715 1.00 0.00 C ATOM 1312 CG LEU A 82 6.825 -5.567 -0.492 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.926 -5.118 -1.635 1.00 0.00 C ATOM 1314 CD2 LEU A 82 6.103 -5.443 0.840 1.00 0.00 C ATOM 0 H LEU A 82 7.127 -9.096 0.591 1.00 0.00 H new ATOM 0 HA LEU A 82 5.221 -7.549 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.885 -7.317 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.965 -7.022 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 82 7.699 -4.916 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.599 -4.093 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.479 -5.167 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.056 -5.772 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.774 -4.413 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.237 -6.105 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.780 -5.721 1.648 1.00 0.00 H new ATOM 1326 N GLY A 83 6.913 -9.551 -2.666 1.00 0.00 N ATOM 1327 CA GLY A 83 6.918 -10.137 -3.992 1.00 0.00 C ATOM 1328 C GLY A 83 5.550 -10.640 -4.404 1.00 0.00 C ATOM 1329 O GLY A 83 5.134 -10.454 -5.548 1.00 0.00 O ATOM 0 H GLY A 83 7.505 -10.029 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.262 -9.396 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.629 -10.962 -4.019 1.00 0.00 H new ATOM 1333 N ASP A 84 4.835 -11.258 -3.465 1.00 0.00 N ATOM 1334 CA ASP A 84 3.453 -11.660 -3.709 1.00 0.00 C ATOM 1335 C ASP A 84 2.614 -10.463 -4.146 1.00 0.00 C ATOM 1336 O ASP A 84 1.644 -10.610 -4.888 1.00 0.00 O ATOM 1337 CB ASP A 84 2.838 -12.299 -2.460 1.00 0.00 C ATOM 1338 CG ASP A 84 3.592 -13.535 -2.012 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.542 -13.396 -1.213 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.234 -14.645 -2.463 1.00 0.00 O ATOM 0 H ASP A 84 5.187 -11.489 -2.536 1.00 0.00 H new ATOM 0 HA ASP A 84 3.458 -12.399 -4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.827 -11.570 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.801 -12.564 -2.664 1.00 0.00 H new ATOM 1345 N LEU A 85 3.009 -9.275 -3.695 1.00 0.00 N ATOM 1346 CA LEU A 85 2.360 -8.041 -4.126 1.00 0.00 C ATOM 1347 C LEU A 85 2.737 -7.696 -5.563 1.00 0.00 C ATOM 1348 O LEU A 85 1.887 -7.687 -6.454 1.00 0.00 O ATOM 1349 CB LEU A 85 2.735 -6.884 -3.201 1.00 0.00 C ATOM 1350 CG LEU A 85 2.419 -7.108 -1.721 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.733 -5.859 -0.917 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.964 -7.498 -1.539 1.00 0.00 C ATOM 0 H LEU A 85 3.773 -9.141 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 85 1.283 -8.199 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.803 -6.689 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.214 -5.987 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 85 3.044 -7.924 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.503 -6.035 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.790 -5.616 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.132 -5.028 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.759 -7.653 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.324 -6.703 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.763 -8.419 -2.086 1.00 0.00 H new ATOM 1364 N PHE A 86 4.013 -7.395 -5.775 1.00 0.00 N ATOM 1365 CA PHE A 86 4.485 -6.930 -7.077 1.00 0.00 C ATOM 1366 C PHE A 86 5.089 -8.075 -7.883 1.00 0.00 C ATOM 1367 O PHE A 86 4.640 -8.375 -8.989 1.00 0.00 O ATOM 1368 CB PHE A 86 5.527 -5.821 -6.903 1.00 0.00 C ATOM 1369 CG PHE A 86 5.014 -4.609 -6.182 1.00 0.00 C ATOM 1370 CD1 PHE A 86 4.703 -4.670 -4.832 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.846 -3.406 -6.849 1.00 0.00 C ATOM 1372 CE1 PHE A 86 4.235 -3.558 -4.164 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.378 -2.289 -6.184 1.00 0.00 C ATOM 1374 CZ PHE A 86 4.073 -2.366 -4.839 1.00 0.00 C ATOM 0 H PHE A 86 4.740 -7.464 -5.063 1.00 0.00 H new ATOM 0 HA PHE A 86 3.626 -6.536 -7.620 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.381 -6.222 -6.357 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.890 -5.520 -7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.829 -5.600 -4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.084 -3.341 -7.901 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.995 -3.620 -3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.251 -1.357 -6.715 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.708 -1.494 -4.317 1.00 0.00 H new ATOM 1384 N GLY A 87 6.137 -8.681 -7.336 1.00 0.00 N ATOM 1385 CA GLY A 87 6.940 -9.615 -8.103 1.00 0.00 C ATOM 1386 C GLY A 87 8.141 -8.941 -8.736 1.00 0.00 C ATOM 1387 O GLY A 87 8.973 -9.596 -9.366 1.00 0.00 O ATOM 0 H GLY A 87 6.445 -8.542 -6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.278 -10.422 -7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.326 -10.068 -8.881 1.00 0.00 H new ATOM 1391 N VAL A 88 8.226 -7.625 -8.562 1.00 0.00 N ATOM 1392 CA VAL A 88 9.324 -6.843 -9.121 1.00 0.00 C ATOM 1393 C VAL A 88 10.656 -7.229 -8.483 1.00 0.00 C ATOM 1394 O VAL A 88 10.697 -7.676 -7.338 1.00 0.00 O ATOM 1395 CB VAL A 88 9.095 -5.333 -8.911 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.772 -4.898 -9.517 1.00 0.00 C ATOM 1397 CG2 VAL A 88 9.146 -4.988 -7.429 1.00 0.00 C ATOM 0 H VAL A 88 7.545 -7.077 -8.037 1.00 0.00 H new ATOM 0 HA VAL A 88 9.356 -7.060 -10.189 1.00 0.00 H new ATOM 0 HB VAL A 88 9.894 -4.792 -9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.632 -3.829 -9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.776 -5.107 -10.587 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.957 -5.446 -9.043 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.982 -3.918 -7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.370 -5.541 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.122 -5.258 -7.026 1.00 0.00 H new ATOM 1407 N PRO A 89 11.769 -7.006 -9.204 1.00 0.00 N ATOM 1408 CA PRO A 89 13.106 -7.037 -8.612 1.00 0.00 C ATOM 1409 C PRO A 89 13.381 -5.795 -7.773 1.00 0.00 C ATOM 1410 O PRO A 89 14.239 -5.804 -6.892 1.00 0.00 O ATOM 1411 CB PRO A 89 14.026 -7.078 -9.831 1.00 0.00 C ATOM 1412 CG PRO A 89 13.263 -6.369 -10.896 1.00 0.00 C ATOM 1413 CD PRO A 89 11.809 -6.666 -10.641 1.00 0.00 C ATOM 0 HA PRO A 89 13.243 -7.879 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.977 -6.585 -9.628 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.255 -8.103 -10.122 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.453 -5.296 -10.862 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.563 -6.715 -11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.179 -5.806 -10.867 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.455 -7.492 -11.258 1.00 0.00 H new ATOM 1421 N SER A 90 12.631 -4.732 -8.051 1.00 0.00 N ATOM 1422 CA SER A 90 12.725 -3.491 -7.287 1.00 0.00 C ATOM 1423 C SER A 90 11.507 -2.612 -7.554 1.00 0.00 C ATOM 1424 O SER A 90 11.032 -2.534 -8.688 1.00 0.00 O ATOM 1425 CB SER A 90 13.997 -2.731 -7.658 1.00 0.00 C ATOM 1426 OG SER A 90 14.066 -2.501 -9.054 1.00 0.00 O ATOM 0 H SER A 90 11.946 -4.706 -8.806 1.00 0.00 H new ATOM 0 HA SER A 90 12.759 -3.743 -6.227 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.023 -1.779 -7.128 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.870 -3.299 -7.336 1.00 0.00 H new ATOM 0 HG SER A 90 14.888 -2.012 -9.265 1.00 0.00 H new ATOM 1432 N PHE A 91 11.011 -1.932 -6.522 1.00 0.00 N ATOM 1433 CA PHE A 91 9.933 -0.966 -6.716 1.00 0.00 C ATOM 1434 C PHE A 91 10.158 0.301 -5.898 1.00 0.00 C ATOM 1435 O PHE A 91 10.932 0.308 -4.942 1.00 0.00 O ATOM 1436 CB PHE A 91 8.570 -1.590 -6.391 1.00 0.00 C ATOM 1437 CG PHE A 91 8.289 -1.797 -4.926 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.728 -0.784 -4.161 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.555 -3.016 -4.322 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.440 -0.980 -2.827 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.272 -3.217 -2.984 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.713 -2.198 -2.236 1.00 0.00 C ATOM 0 H PHE A 91 11.332 -2.029 -5.559 1.00 0.00 H new ATOM 0 HA PHE A 91 9.936 -0.683 -7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.789 -0.954 -6.807 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.500 -2.553 -6.897 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.514 0.171 -4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.988 -3.817 -4.903 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.002 -0.183 -2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.488 -4.170 -2.523 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.490 -2.354 -1.191 1.00 0.00 H new ATOM 1452 N SER A 92 9.503 1.383 -6.310 1.00 0.00 N ATOM 1453 CA SER A 92 9.778 2.706 -5.762 1.00 0.00 C ATOM 1454 C SER A 92 8.582 3.241 -4.982 1.00 0.00 C ATOM 1455 O SER A 92 7.641 3.778 -5.563 1.00 0.00 O ATOM 1456 CB SER A 92 10.137 3.679 -6.887 1.00 0.00 C ATOM 1457 OG SER A 92 11.348 3.307 -7.519 1.00 0.00 O ATOM 0 H SER A 92 8.775 1.368 -7.025 1.00 0.00 H new ATOM 0 HA SER A 92 10.621 2.615 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.332 3.702 -7.622 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.229 4.687 -6.484 1.00 0.00 H new ATOM 0 HG SER A 92 11.553 3.944 -8.235 1.00 0.00 H new ATOM 1463 N VAL A 93 8.640 3.117 -3.660 1.00 0.00 N ATOM 1464 CA VAL A 93 7.642 3.727 -2.789 1.00 0.00 C ATOM 1465 C VAL A 93 7.670 5.247 -2.900 1.00 0.00 C ATOM 1466 O VAL A 93 6.749 5.929 -2.449 1.00 0.00 O ATOM 1467 CB VAL A 93 7.856 3.332 -1.318 1.00 0.00 C ATOM 1468 CG1 VAL A 93 7.178 2.005 -1.012 1.00 0.00 C ATOM 1469 CG2 VAL A 93 9.336 3.271 -0.994 1.00 0.00 C ATOM 0 H VAL A 93 9.368 2.599 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 93 6.672 3.356 -3.119 1.00 0.00 H new ATOM 0 HB VAL A 93 7.400 4.095 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.342 1.745 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.108 2.091 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.597 1.227 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.468 2.990 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.818 2.531 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.787 4.248 -1.167 1.00 0.00 H new ATOM 1479 N LYS A 94 8.721 5.773 -3.525 1.00 0.00 N ATOM 1480 CA LYS A 94 8.782 7.193 -3.849 1.00 0.00 C ATOM 1481 C LYS A 94 7.572 7.599 -4.682 1.00 0.00 C ATOM 1482 O LYS A 94 7.163 8.761 -4.686 1.00 0.00 O ATOM 1483 CB LYS A 94 10.072 7.512 -4.608 1.00 0.00 C ATOM 1484 CG LYS A 94 10.247 8.990 -4.924 1.00 0.00 C ATOM 1485 CD LYS A 94 11.534 9.252 -5.691 1.00 0.00 C ATOM 1486 CE LYS A 94 12.762 8.935 -4.852 1.00 0.00 C ATOM 1487 NZ LYS A 94 14.026 9.182 -5.600 1.00 0.00 N ATOM 0 H LYS A 94 9.539 5.238 -3.816 1.00 0.00 H new ATOM 0 HA LYS A 94 8.774 7.760 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.923 7.173 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.084 6.947 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.397 9.340 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.253 9.562 -3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.547 8.648 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.566 10.296 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.751 9.544 -3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.726 7.893 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.839 8.954 -4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.049 8.583 -6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.074 10.182 -5.881 1.00 0.00 H new ATOM 1501 N GLU A 95 6.991 6.621 -5.368 1.00 0.00 N ATOM 1502 CA GLU A 95 5.759 6.831 -6.115 1.00 0.00 C ATOM 1503 C GLU A 95 4.545 6.519 -5.244 1.00 0.00 C ATOM 1504 O GLU A 95 4.687 6.172 -4.072 1.00 0.00 O ATOM 1505 CB GLU A 95 5.744 5.947 -7.365 1.00 0.00 C ATOM 1506 CG GLU A 95 7.077 5.899 -8.093 1.00 0.00 C ATOM 1507 CD GLU A 95 7.001 5.133 -9.400 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.226 3.905 -9.383 1.00 0.00 O ATOM 1509 OE2 GLU A 95 6.717 5.764 -10.440 1.00 0.00 O ATOM 0 H GLU A 95 7.357 5.670 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 95 5.713 7.877 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.459 4.934 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.979 6.313 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.415 6.916 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.823 5.435 -7.447 1.00 0.00 H new ATOM 1516 N HIS A 96 3.356 6.645 -5.821 1.00 0.00 N ATOM 1517 CA HIS A 96 2.120 6.379 -5.090 1.00 0.00 C ATOM 1518 C HIS A 96 0.933 6.282 -6.038 1.00 0.00 C ATOM 1519 O HIS A 96 -0.003 5.523 -5.791 1.00 0.00 O ATOM 1520 CB HIS A 96 1.878 7.463 -4.035 1.00 0.00 C ATOM 1521 CG HIS A 96 2.218 8.847 -4.498 1.00 0.00 C ATOM 1522 ND1 HIS A 96 2.707 9.824 -3.656 1.00 0.00 N ATOM 1523 CD2 HIS A 96 2.131 9.415 -5.721 1.00 0.00 C ATOM 1524 CE1 HIS A 96 2.905 10.935 -4.345 1.00 0.00 C ATOM 1525 NE2 HIS A 96 2.565 10.713 -5.600 1.00 0.00 N ATOM 0 H HIS A 96 3.220 6.929 -6.791 1.00 0.00 H new ATOM 0 HA HIS A 96 2.226 5.419 -4.585 1.00 0.00 H new ATOM 0 HB2 HIS A 96 0.830 7.438 -3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.468 7.232 -3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.785 8.937 -6.626 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.281 11.866 -3.948 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.616 11.394 -6.357 1.00 0.00 H new ATOM 1534 N ARG A 97 0.993 7.020 -7.139 1.00 0.00 N ATOM 1535 CA ARG A 97 0.014 6.864 -8.205 1.00 0.00 C ATOM 1536 C ARG A 97 0.150 5.490 -8.846 1.00 0.00 C ATOM 1537 O ARG A 97 -0.748 4.651 -8.746 1.00 0.00 O ATOM 1538 CB ARG A 97 0.196 7.957 -9.260 1.00 0.00 C ATOM 1539 CG ARG A 97 0.031 9.364 -8.714 1.00 0.00 C ATOM 1540 CD ARG A 97 0.203 10.409 -9.806 1.00 0.00 C ATOM 1541 NE ARG A 97 0.053 11.767 -9.292 1.00 0.00 N ATOM 1542 CZ ARG A 97 0.175 12.858 -10.043 1.00 0.00 C ATOM 1543 NH1 ARG A 97 0.449 12.749 -11.336 1.00 0.00 N ATOM 1544 NH2 ARG A 97 0.023 14.059 -9.502 1.00 0.00 N ATOM 0 H ARG A 97 1.705 7.728 -7.316 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.984 6.956 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.188 7.862 -9.702 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.526 7.800 -10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.956 9.467 -8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.762 9.537 -7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.188 10.300 -10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.532 10.236 -10.592 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.157 11.886 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.567 11.827 -11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.542 13.587 -11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.188 14.148 -8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.117 14.894 -10.080 1.00 0.00 H new ATOM 1558 N LYS A 98 1.287 5.260 -9.491 1.00 0.00 N ATOM 1559 CA LYS A 98 1.553 3.981 -10.134 1.00 0.00 C ATOM 1560 C LYS A 98 1.812 2.893 -9.099 1.00 0.00 C ATOM 1561 O LYS A 98 1.431 1.739 -9.296 1.00 0.00 O ATOM 1562 CB LYS A 98 2.753 4.096 -11.082 1.00 0.00 C ATOM 1563 CG LYS A 98 2.483 4.939 -12.320 1.00 0.00 C ATOM 1564 CD LYS A 98 2.383 6.418 -11.986 1.00 0.00 C ATOM 1565 CE LYS A 98 2.109 7.252 -13.226 1.00 0.00 C ATOM 1566 NZ LYS A 98 2.009 8.704 -12.909 1.00 0.00 N ATOM 0 H LYS A 98 2.039 5.943 -9.582 1.00 0.00 H new ATOM 0 HA LYS A 98 0.670 3.706 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.593 4.527 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.054 3.096 -11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.281 4.784 -13.046 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.556 4.609 -12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.587 6.575 -11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.311 6.750 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.905 7.093 -13.953 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.182 6.917 -13.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.822 9.238 -13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.233 8.859 -12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.903 9.030 -12.489 1.00 0.00 H new ATOM 1580 N ILE A 99 2.485 3.256 -8.013 1.00 0.00 N ATOM 1581 CA ILE A 99 2.972 2.266 -7.059 1.00 0.00 C ATOM 1582 C ILE A 99 1.823 1.642 -6.272 1.00 0.00 C ATOM 1583 O ILE A 99 1.872 0.461 -5.920 1.00 0.00 O ATOM 1584 CB ILE A 99 4.038 2.864 -6.101 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.267 1.959 -6.079 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.502 3.047 -4.684 1.00 0.00 C ATOM 1587 CD1 ILE A 99 5.094 0.738 -5.207 1.00 0.00 C ATOM 0 H ILE A 99 2.705 4.222 -7.772 1.00 0.00 H new ATOM 0 HA ILE A 99 3.454 1.477 -7.636 1.00 0.00 H new ATOM 0 HB ILE A 99 4.306 3.852 -6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.494 1.641 -7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.125 2.531 -5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.283 3.468 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.647 3.723 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.192 2.081 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.004 0.138 -5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.897 1.049 -4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.256 0.145 -5.574 1.00 0.00 H new ATOM 1599 N TYR A 100 0.779 2.422 -6.026 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.405 1.898 -5.365 1.00 0.00 C ATOM 1601 C TYR A 100 -1.345 1.234 -6.364 1.00 0.00 C ATOM 1602 O TYR A 100 -2.082 0.312 -6.016 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.130 3.011 -4.605 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.493 3.321 -3.270 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.749 2.798 -2.941 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -1.133 4.128 -2.338 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.337 3.066 -1.726 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.551 4.404 -1.115 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.685 3.868 -0.814 1.00 0.00 C ATOM 1610 OH TYR A 100 1.269 4.139 0.402 1.00 0.00 O ATOM 0 H TYR A 100 0.729 3.411 -6.272 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.084 1.139 -4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.141 3.914 -5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.169 2.720 -4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.264 2.169 -3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.101 4.546 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.305 2.650 -1.488 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.059 5.034 -0.400 1.00 0.00 H new ATOM 0 HH TYR A 100 1.398 5.106 0.495 1.00 0.00 H new ATOM 1620 N THR A 101 -1.295 1.688 -7.613 1.00 0.00 N ATOM 1621 CA THR A 101 -2.031 1.031 -8.689 1.00 0.00 C ATOM 1622 C THR A 101 -1.550 -0.405 -8.880 1.00 0.00 C ATOM 1623 O THR A 101 -2.344 -1.300 -9.169 1.00 0.00 O ATOM 1624 CB THR A 101 -1.892 1.795 -10.021 1.00 0.00 C ATOM 1625 OG1 THR A 101 -2.453 3.106 -9.894 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.588 1.051 -11.152 1.00 0.00 C ATOM 0 H THR A 101 -0.756 2.503 -7.904 1.00 0.00 H new ATOM 0 HA THR A 101 -3.081 1.025 -8.398 1.00 0.00 H new ATOM 0 HB THR A 101 -0.831 1.872 -10.258 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.734 3.758 -9.762 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.475 1.611 -12.080 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.141 0.064 -11.267 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.648 0.944 -10.920 1.00 0.00 H new ATOM 1634 N MET A 102 -0.250 -0.621 -8.703 1.00 0.00 N ATOM 1635 CA MET A 102 0.313 -1.965 -8.774 1.00 0.00 C ATOM 1636 C MET A 102 -0.104 -2.784 -7.565 1.00 0.00 C ATOM 1637 O MET A 102 -0.474 -3.952 -7.694 1.00 0.00 O ATOM 1638 CB MET A 102 1.838 -1.911 -8.856 1.00 0.00 C ATOM 1639 CG MET A 102 2.345 -1.052 -9.993 1.00 0.00 C ATOM 1640 SD MET A 102 4.143 -1.063 -10.132 1.00 0.00 S ATOM 1641 CE MET A 102 4.596 -0.106 -8.688 1.00 0.00 C ATOM 0 H MET A 102 0.431 0.114 -8.510 1.00 0.00 H new ATOM 0 HA MET A 102 -0.072 -2.441 -9.676 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.232 -1.527 -7.915 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.225 -2.923 -8.974 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.911 -1.404 -10.929 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.003 -0.027 -9.848 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.494 -0.529 -8.238 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.789 0.926 -8.981 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.781 -0.131 -7.964 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.038 -2.171 -6.387 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.408 -2.862 -5.161 1.00 0.00 C ATOM 1653 C ILE A 103 -1.807 -3.462 -5.277 1.00 0.00 C ATOM 1654 O ILE A 103 -2.074 -4.545 -4.755 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.357 -1.929 -3.933 1.00 0.00 C ATOM 1656 CG1 ILE A 103 1.076 -1.454 -3.686 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -0.904 -2.642 -2.701 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.217 -0.535 -2.492 1.00 0.00 C ATOM 0 H ILE A 103 0.266 -1.206 -6.258 1.00 0.00 H new ATOM 0 HA ILE A 103 0.322 -3.659 -5.019 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.981 -1.057 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.717 -2.323 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.436 -0.937 -4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.861 -1.971 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.938 -2.936 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.304 -3.529 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.261 -0.240 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.603 0.353 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.889 -1.055 -1.592 1.00 0.00 H new ATOM 1670 N TYR A 104 -2.692 -2.753 -5.972 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.048 -3.237 -6.199 1.00 0.00 C ATOM 1672 C TYR A 104 -4.257 -3.589 -7.670 1.00 0.00 C ATOM 1673 O TYR A 104 -4.756 -2.776 -8.449 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.067 -2.182 -5.762 1.00 0.00 C ATOM 1675 CG TYR A 104 -4.914 -1.757 -4.318 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -5.508 -2.481 -3.294 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -4.172 -0.631 -3.981 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -5.369 -2.098 -1.974 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -4.027 -0.241 -2.664 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.628 -0.978 -1.665 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.486 -0.592 -0.351 1.00 0.00 O ATOM 0 H TYR A 104 -2.494 -1.843 -6.387 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.193 -4.139 -5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.968 -1.306 -6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.072 -2.575 -5.912 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.089 -3.359 -3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.701 -0.052 -4.762 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -5.838 -2.673 -1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.446 0.636 -2.418 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.933 0.216 -0.305 1.00 0.00 H new ATOM 1691 N ARG A 105 -3.859 -4.801 -8.043 1.00 0.00 N ATOM 1692 CA ARG A 105 -3.931 -5.236 -9.434 1.00 0.00 C ATOM 1693 C ARG A 105 -5.302 -5.825 -9.753 1.00 0.00 C ATOM 1694 O ARG A 105 -6.149 -5.160 -10.349 1.00 0.00 O ATOM 1695 CB ARG A 105 -2.836 -6.267 -9.724 1.00 0.00 C ATOM 1696 CG ARG A 105 -2.824 -6.758 -11.164 1.00 0.00 C ATOM 1697 CD ARG A 105 -2.485 -5.640 -12.135 1.00 0.00 C ATOM 1698 NE ARG A 105 -2.457 -6.106 -13.519 1.00 0.00 N ATOM 1699 CZ ARG A 105 -2.056 -5.358 -14.541 1.00 0.00 C ATOM 1700 NH1 ARG A 105 -1.646 -4.113 -14.338 1.00 0.00 N ATOM 1701 NH2 ARG A 105 -2.062 -5.855 -15.771 1.00 0.00 N ATOM 0 H ARG A 105 -3.483 -5.500 -7.402 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.777 -4.364 -10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -1.866 -5.829 -9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.968 -7.121 -9.059 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -2.097 -7.563 -11.268 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -3.799 -7.175 -11.415 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -3.219 -4.840 -12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.515 -5.216 -11.876 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.763 -7.060 -13.712 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.638 -3.726 -13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.339 -3.542 -15.126 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.375 -6.812 -15.933 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.754 -5.280 -16.555 1.00 0.00 H new ATOM 1715 N ASN A 106 -5.508 -7.078 -9.360 1.00 0.00 N ATOM 1716 CA ASN A 106 -6.758 -7.774 -9.647 1.00 0.00 C ATOM 1717 C ASN A 106 -7.265 -8.513 -8.413 1.00 0.00 C ATOM 1718 O ASN A 106 -6.479 -9.057 -7.638 1.00 0.00 O ATOM 1719 CB ASN A 106 -6.565 -8.758 -10.801 1.00 0.00 C ATOM 1720 CG ASN A 106 -6.150 -8.070 -12.087 1.00 0.00 C ATOM 1721 OD1 ASN A 106 -6.520 -6.923 -12.340 1.00 0.00 O ATOM 1722 ND2 ASN A 106 -5.377 -8.770 -12.910 1.00 0.00 N ATOM 0 H ASN A 106 -4.826 -7.632 -8.842 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.501 -7.030 -9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.808 -9.493 -10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.494 -9.304 -10.968 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.067 -8.360 -13.791 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.094 -9.718 -12.661 1.00 0.00 H new ATOM 1729 N LEU A 107 -8.585 -8.532 -8.242 1.00 0.00 N ATOM 1730 CA LEU A 107 -9.203 -9.218 -7.113 1.00 0.00 C ATOM 1731 C LEU A 107 -8.630 -8.719 -5.789 1.00 0.00 C ATOM 1732 O LEU A 107 -7.948 -9.458 -5.078 1.00 0.00 O ATOM 1733 CB LEU A 107 -9.002 -10.731 -7.235 1.00 0.00 C ATOM 1734 CG LEU A 107 -9.595 -11.364 -8.496 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -9.176 -12.821 -8.606 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -11.113 -11.242 -8.492 1.00 0.00 C ATOM 0 H LEU A 107 -9.247 -8.079 -8.872 1.00 0.00 H new ATOM 0 HA LEU A 107 -10.271 -8.999 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.933 -10.943 -7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.444 -11.212 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.211 -10.829 -9.364 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.606 -13.256 -9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.089 -12.884 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.532 -13.369 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.517 -11.697 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.517 -11.752 -7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.393 -10.189 -8.460 1.00 0.00 H new ATOM 1748 N VAL A 108 -8.911 -7.463 -5.466 1.00 0.00 N ATOM 1749 CA VAL A 108 -8.424 -6.863 -4.229 1.00 0.00 C ATOM 1750 C VAL A 108 -9.288 -5.676 -3.818 1.00 0.00 C ATOM 1751 O VAL A 108 -9.467 -5.407 -2.629 1.00 0.00 O ATOM 1752 CB VAL A 108 -6.959 -6.402 -4.368 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -6.817 -5.400 -5.505 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -6.455 -5.811 -3.059 1.00 0.00 C ATOM 0 H VAL A 108 -9.474 -6.839 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 108 -8.481 -7.631 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.347 -7.272 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.776 -5.087 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.131 -5.864 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.442 -4.530 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -5.420 -5.492 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.070 -4.953 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.514 -6.564 -2.273 1.00 0.00 H new ATOM 1764 N VAL A 109 -9.828 -4.975 -4.809 1.00 0.00 N ATOM 1765 CA VAL A 109 -10.698 -3.832 -4.554 1.00 0.00 C ATOM 1766 C VAL A 109 -12.165 -4.247 -4.595 1.00 0.00 C ATOM 1767 O VAL A 109 -12.544 -5.154 -5.336 1.00 0.00 O ATOM 1768 CB VAL A 109 -10.457 -2.709 -5.581 1.00 0.00 C ATOM 1769 CG1 VAL A 109 -10.734 -3.205 -6.992 1.00 0.00 C ATOM 1770 CG2 VAL A 109 -11.312 -1.491 -5.258 1.00 0.00 C ATOM 0 H VAL A 109 -9.679 -5.178 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.458 -3.458 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.410 -2.412 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -10.558 -2.397 -7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.072 -4.040 -7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.771 -3.533 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -11.126 -0.710 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.366 -1.769 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.057 -1.120 -4.265 1.00 0.00 H new ATOM 1780 N VAL A 110 -12.988 -3.582 -3.786 1.00 0.00 N ATOM 1781 CA VAL A 110 -14.409 -3.899 -3.709 1.00 0.00 C ATOM 1782 C VAL A 110 -15.070 -3.808 -5.083 1.00 0.00 C ATOM 1783 O VAL A 110 -14.779 -2.902 -5.864 1.00 0.00 O ATOM 1784 CB VAL A 110 -15.142 -2.964 -2.730 1.00 0.00 C ATOM 1785 CG1 VAL A 110 -15.003 -1.519 -3.175 1.00 0.00 C ATOM 1786 CG2 VAL A 110 -16.607 -3.354 -2.606 1.00 0.00 C ATOM 0 H VAL A 110 -12.693 -2.820 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 110 -14.485 -4.923 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 110 -14.683 -3.066 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -15.526 -0.870 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -13.948 -1.247 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -15.435 -1.401 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -17.105 -2.680 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -17.086 -3.285 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -16.681 -4.377 -2.237 1.00 0.00 H new ATOM 1796 N ASN A 111 -15.953 -4.758 -5.373 1.00 0.00 N ATOM 1797 CA ASN A 111 -16.620 -4.815 -6.667 1.00 0.00 C ATOM 1798 C ASN A 111 -18.137 -4.835 -6.501 1.00 0.00 C ATOM 1799 O ASN A 111 -18.651 -5.236 -5.456 1.00 0.00 O ATOM 1800 CB ASN A 111 -16.166 -6.054 -7.442 1.00 0.00 C ATOM 1801 CG ASN A 111 -16.481 -7.343 -6.710 1.00 0.00 C ATOM 1802 OD1 ASN A 111 -17.552 -7.922 -6.883 1.00 0.00 O ATOM 1803 ND2 ASN A 111 -15.545 -7.797 -5.884 1.00 0.00 N ATOM 0 H ASN A 111 -16.223 -5.500 -4.727 1.00 0.00 H new ATOM 0 HA ASN A 111 -16.347 -3.921 -7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -16.651 -6.066 -8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -15.092 -5.994 -7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -15.700 -8.659 -5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -14.671 -7.283 -5.772 1.00 0.00 H new ATOM 1810 N GLN A 112 -18.846 -4.400 -7.538 1.00 0.00 N ATOM 1811 CA GLN A 112 -20.304 -4.366 -7.508 1.00 0.00 C ATOM 1812 C GLN A 112 -20.881 -5.778 -7.520 1.00 0.00 C ATOM 1813 O GLN A 112 -20.677 -6.534 -8.471 1.00 0.00 O ATOM 1814 CB GLN A 112 -20.839 -3.573 -8.702 1.00 0.00 C ATOM 1815 CG GLN A 112 -22.354 -3.453 -8.726 1.00 0.00 C ATOM 1816 CD GLN A 112 -22.858 -2.680 -9.929 1.00 0.00 C ATOM 1817 OE1 GLN A 112 -23.010 -1.459 -9.877 1.00 0.00 O ATOM 1818 NE2 GLN A 112 -23.123 -3.389 -11.020 1.00 0.00 N ATOM 0 H GLN A 112 -18.434 -4.066 -8.410 1.00 0.00 H new ATOM 0 HA GLN A 112 -20.614 -3.875 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -20.404 -2.574 -8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -20.507 -4.052 -9.623 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -22.794 -4.450 -8.729 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -22.690 -2.959 -7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -22.982 -4.399 -11.018 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -23.467 -2.923 -11.860 1.00 0.00 H new ATOM 1827 N GLN A 113 -21.600 -6.128 -6.459 1.00 0.00 N ATOM 1828 CA GLN A 113 -22.194 -7.455 -6.338 1.00 0.00 C ATOM 1829 C GLN A 113 -23.560 -7.504 -7.014 1.00 0.00 C ATOM 1830 O GLN A 113 -24.528 -8.011 -6.447 1.00 0.00 O ATOM 1831 CB GLN A 113 -22.326 -7.843 -4.864 1.00 0.00 C ATOM 1832 CG GLN A 113 -20.998 -7.875 -4.123 1.00 0.00 C ATOM 1833 CD GLN A 113 -21.152 -8.254 -2.661 1.00 0.00 C ATOM 1834 OE1 GLN A 113 -20.377 -7.815 -1.810 1.00 0.00 O ATOM 1835 NE2 GLN A 113 -22.153 -9.074 -2.361 1.00 0.00 N ATOM 0 H GLN A 113 -21.786 -5.510 -5.669 1.00 0.00 H new ATOM 0 HA GLN A 113 -21.537 -8.167 -6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -22.992 -7.136 -4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -22.795 -8.825 -4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -20.332 -8.587 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -20.524 -6.896 -4.192 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -22.772 -9.414 -3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -22.303 -9.363 -1.394 1.00 0.00 H new ATOM 1844 N GLU A 114 -23.633 -6.974 -8.230 1.00 0.00 N ATOM 1845 CA GLU A 114 -24.880 -6.957 -8.986 1.00 0.00 C ATOM 1846 C GLU A 114 -24.841 -7.972 -10.124 1.00 0.00 C ATOM 1847 O GLU A 114 -25.876 -8.477 -10.555 1.00 0.00 O ATOM 1848 CB GLU A 114 -25.144 -5.556 -9.543 1.00 0.00 C ATOM 1849 CG GLU A 114 -26.456 -5.438 -10.301 1.00 0.00 C ATOM 1850 CD GLU A 114 -27.660 -5.751 -9.434 1.00 0.00 C ATOM 1851 OE1 GLU A 114 -28.197 -4.815 -8.804 1.00 0.00 O ATOM 1852 OE2 GLU A 114 -28.065 -6.931 -9.384 1.00 0.00 O ATOM 0 H GLU A 114 -22.842 -6.550 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 114 -25.690 -7.230 -8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -25.144 -4.841 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -24.325 -5.278 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -26.552 -4.428 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -26.441 -6.116 -11.154 1.00 0.00 H new ATOM 1859 N SER A 115 -23.637 -8.264 -10.607 1.00 0.00 N ATOM 1860 CA SER A 115 -23.461 -9.210 -11.703 1.00 0.00 C ATOM 1861 C SER A 115 -23.880 -10.615 -11.282 1.00 0.00 C ATOM 1862 O SER A 115 -23.336 -11.178 -10.331 1.00 0.00 O ATOM 1863 CB SER A 115 -22.004 -9.220 -12.168 1.00 0.00 C ATOM 1864 OG SER A 115 -21.133 -9.589 -11.113 1.00 0.00 O ATOM 0 H SER A 115 -22.769 -7.859 -10.256 1.00 0.00 H new ATOM 0 HA SER A 115 -24.097 -8.892 -12.529 1.00 0.00 H new ATOM 0 HB2 SER A 115 -21.889 -9.916 -12.999 1.00 0.00 H new ATOM 0 HB3 SER A 115 -21.731 -8.232 -12.540 1.00 0.00 H new ATOM 0 HG SER A 115 -21.597 -10.202 -10.505 1.00 0.00 H new ATOM 1870 N SER A 116 -24.852 -11.176 -11.996 1.00 0.00 N ATOM 1871 CA SER A 116 -25.339 -12.519 -11.703 1.00 0.00 C ATOM 1872 C SER A 116 -24.876 -13.509 -12.766 1.00 0.00 C ATOM 1873 O SER A 116 -25.344 -13.478 -13.904 1.00 0.00 O ATOM 1874 CB SER A 116 -26.866 -12.522 -11.619 1.00 0.00 C ATOM 1875 OG SER A 116 -27.360 -13.821 -11.340 1.00 0.00 O ATOM 0 H SER A 116 -25.317 -10.721 -12.781 1.00 0.00 H new ATOM 0 HA SER A 116 -24.928 -12.826 -10.742 1.00 0.00 H new ATOM 0 HB2 SER A 116 -27.192 -11.831 -10.841 1.00 0.00 H new ATOM 0 HB3 SER A 116 -27.286 -12.164 -12.559 1.00 0.00 H new ATOM 0 HG SER A 116 -28.338 -13.795 -11.290 1.00 0.00 H new ATOM 1881 N ASP A 117 -23.953 -14.388 -12.387 1.00 0.00 N ATOM 1882 CA ASP A 117 -23.420 -15.384 -13.310 1.00 0.00 C ATOM 1883 C ASP A 117 -24.233 -16.674 -13.247 1.00 0.00 C ATOM 1884 O ASP A 117 -23.802 -17.715 -13.744 1.00 0.00 O ATOM 1885 CB ASP A 117 -21.953 -15.676 -12.988 1.00 0.00 C ATOM 1886 CG ASP A 117 -21.081 -14.441 -13.095 1.00 0.00 C ATOM 1887 OD1 ASP A 117 -20.927 -13.731 -12.081 1.00 0.00 O ATOM 1888 OD2 ASP A 117 -20.551 -14.183 -14.198 1.00 0.00 O ATOM 0 H ASP A 117 -23.559 -14.431 -11.447 1.00 0.00 H new ATOM 0 HA ASP A 117 -23.489 -14.980 -14.320 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -21.879 -16.083 -11.980 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -21.580 -16.441 -13.669 1.00 0.00 H new ATOM 1893 N SER A 118 -25.410 -16.596 -12.635 1.00 0.00 N ATOM 1894 CA SER A 118 -26.285 -17.757 -12.509 1.00 0.00 C ATOM 1895 C SER A 118 -27.354 -17.755 -13.598 1.00 0.00 C ATOM 1896 O SER A 118 -28.362 -17.055 -13.489 1.00 0.00 O ATOM 1897 CB SER A 118 -26.944 -17.777 -11.129 1.00 0.00 C ATOM 1898 OG SER A 118 -27.700 -16.599 -10.905 1.00 0.00 O ATOM 0 H SER A 118 -25.780 -15.742 -12.219 1.00 0.00 H new ATOM 0 HA SER A 118 -25.677 -18.654 -12.626 1.00 0.00 H new ATOM 0 HB2 SER A 118 -27.592 -18.650 -11.045 1.00 0.00 H new ATOM 0 HB3 SER A 118 -26.179 -17.873 -10.359 1.00 0.00 H new ATOM 0 HG SER A 118 -28.144 -16.332 -11.737 1.00 0.00 H new ATOM 1904 N SER A 119 -27.123 -18.541 -14.646 1.00 0.00 N ATOM 1905 CA SER A 119 -28.063 -18.636 -15.759 1.00 0.00 C ATOM 1906 C SER A 119 -28.305 -17.267 -16.389 1.00 0.00 C ATOM 1907 O SER A 119 -27.544 -16.898 -17.308 1.00 0.00 O ATOM 1908 CB SER A 119 -29.390 -19.238 -15.289 1.00 0.00 C ATOM 1909 OG SER A 119 -30.313 -19.336 -16.358 1.00 0.00 O ATOM 1910 OXT SER A 119 -29.254 -16.577 -15.960 1.00 0.00 O ATOM 0 H SER A 119 -26.291 -19.122 -14.748 1.00 0.00 H new ATOM 0 HA SER A 119 -27.625 -19.290 -16.513 1.00 0.00 H new ATOM 0 HB2 SER A 119 -29.214 -20.226 -14.865 1.00 0.00 H new ATOM 0 HB3 SER A 119 -29.812 -18.621 -14.496 1.00 0.00 H new ATOM 0 HG SER A 119 -31.151 -19.725 -16.032 1.00 0.00 H new TER 1916 SER A 119