USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 969 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 83 THR OG1 : rot 138:sc= 0.473 USER MOD Set 1.2: A 94 ASN : amide:sc= 1.66 K(o=2.5,f=-3.1!) USER MOD Set 1.3: A 98 HIS : no HE2:sc= 0.32 K(o=2.5,f=-2.6!) USER MOD Set 2.1: A 36 THR OG1 : rot 116:sc= -0.0896 USER MOD Set 2.2: A 38 SER OG : rot 180:sc= 0.292 USER MOD Set 3.1: A 1 LYS N :NH3+ -164:sc= 0.852 (180deg=-0.342) USER MOD Set 3.2: A 2 LYS NZ :NH3+ -161:sc= 2.33 (180deg=1.01) USER MOD Set 3.3: A 39 GLN : amide:sc= -0.517! C(o=2.7!,f=-9.9!) USER MOD Single : A 1 LYS NZ :NH3+ 151:sc= 1.23 (180deg=0.0761) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -1.57 F(o=-2.1,f=-1.6) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.1 F(o=-1.6!,f=-0.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -34:sc= 0.0579 USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= -1.42! (180deg=-1.96!) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.17) USER MOD Single : A 44 MET CE :methyl -168:sc= -3.48 (180deg=-4.08) USER MOD Single : A 47 GLN : amide:sc= -1.49 K(o=-1.5,f=-5.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0.557 (180deg=0.557) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.45) USER MOD Single : A 62 THR OG1 : rot -23:sc= 0.152 USER MOD Single : A 69 SER OG : rot -130:sc= 0.558 USER MOD Single : A 74 HIS : no HE2:sc= 0.552 K(o=0.55,f=-5.7!) USER MOD Single : A 78 SER OG : rot 119:sc= 1.16 USER MOD Single : A 84 SER OG : rot -127:sc= 1.28 USER MOD Single : A 87 GLN : amide:sc= -0.597 K(o=-0.6,f=-1.4) USER MOD Single : A 95 THR OG1 : rot -145:sc= -2.39! USER MOD Single : A 97 GLN :FLIP amide:sc= -0.995 F(o=-2.5!,f=-1) USER MOD Single : A 99 TYR OH : rot 36:sc= 1.26 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 56:sc= -0.559 USER MOD Single : A 114 THR OG1 : rot 149:sc= 0.384 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 ASN : amide:sc= 0.714 X(o=0.71,f=0.33) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.601 -1.907 -7.782 1.00 1.00 N ATOM 2 CA LYS A 1 -8.926 -2.097 -6.508 1.00 1.00 C ATOM 3 C LYS A 1 -7.754 -1.187 -6.463 1.00 1.00 C ATOM 4 O LYS A 1 -6.891 -1.250 -7.334 1.00 1.00 O ATOM 5 CB LYS A 1 -8.409 -3.537 -6.339 1.00 1.00 C ATOM 6 CG LYS A 1 -9.461 -4.631 -6.360 1.00 1.00 C ATOM 7 CD LYS A 1 -9.674 -5.193 -7.766 1.00 1.00 C ATOM 8 CE LYS A 1 -8.461 -5.961 -8.278 1.00 1.00 C ATOM 9 NZ LYS A 1 -8.717 -6.549 -9.605 1.00 1.00 N ATOM 0 H1 LYS A 1 -10.555 -2.318 -7.734 1.00 1.00 H new ATOM 0 H2 LYS A 1 -9.672 -0.890 -7.989 1.00 1.00 H new ATOM 0 H3 LYS A 1 -9.060 -2.377 -8.535 1.00 1.00 H new ATOM 0 HA LYS A 1 -9.641 -1.890 -5.712 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -7.689 -3.738 -7.132 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -7.869 -3.599 -5.394 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -9.160 -5.436 -5.689 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -10.403 -4.235 -5.981 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -10.542 -5.852 -7.763 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -9.897 -4.375 -8.451 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -7.602 -5.292 -8.334 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -8.204 -6.751 -7.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -7.823 -6.622 -10.131 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -9.130 -7.497 -9.491 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -9.380 -5.944 -10.131 1.00 1.00 H new ATOM 22 N LYS A 2 -7.721 -0.337 -5.494 1.00 1.00 N ATOM 23 CA LYS A 2 -6.610 0.539 -5.313 1.00 1.00 C ATOM 24 C LYS A 2 -6.241 0.500 -3.851 1.00 1.00 C ATOM 25 O LYS A 2 -6.976 1.001 -3.024 1.00 1.00 O ATOM 26 CB LYS A 2 -6.973 1.983 -5.736 1.00 1.00 C ATOM 27 CG LYS A 2 -7.362 2.140 -7.210 1.00 1.00 C ATOM 28 CD LYS A 2 -7.668 3.595 -7.569 1.00 1.00 C ATOM 29 CE LYS A 2 -8.979 4.095 -6.959 1.00 1.00 C ATOM 30 NZ LYS A 2 -10.169 3.519 -7.630 1.00 1.00 N ATOM 0 H LYS A 2 -8.463 -0.228 -4.803 1.00 1.00 H new ATOM 0 HA LYS A 2 -5.772 0.220 -5.933 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -7.800 2.331 -5.117 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -6.123 2.633 -5.527 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -6.551 1.774 -7.840 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.235 1.523 -7.423 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -6.849 4.228 -7.227 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -7.716 3.694 -8.653 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -9.004 3.841 -5.899 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -9.017 5.182 -7.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -11.003 4.104 -7.420 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -10.011 3.497 -8.658 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -10.329 2.552 -7.283 1.00 1.00 H new ATOM 44 N ASP A 3 -5.146 -0.103 -3.514 1.00 1.00 N ATOM 45 CA ASP A 3 -4.755 -0.154 -2.115 1.00 1.00 C ATOM 46 C ASP A 3 -4.064 1.129 -1.705 1.00 1.00 C ATOM 47 O ASP A 3 -2.851 1.206 -1.557 1.00 1.00 O ATOM 48 CB ASP A 3 -3.950 -1.416 -1.737 1.00 1.00 C ATOM 49 CG ASP A 3 -2.866 -1.774 -2.718 1.00 1.00 C ATOM 50 OD1 ASP A 3 -3.197 -2.226 -3.843 1.00 1.00 O ATOM 51 OD2 ASP A 3 -1.668 -1.635 -2.384 1.00 1.00 O ATOM 0 H ASP A 3 -4.508 -0.563 -4.163 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.674 -0.239 -1.536 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -3.501 -1.266 -0.755 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -4.637 -2.258 -1.648 1.00 1.00 H new ATOM 56 N VAL A 4 -4.880 2.139 -1.569 1.00 1.00 N ATOM 57 CA VAL A 4 -4.496 3.460 -1.165 1.00 1.00 C ATOM 58 C VAL A 4 -5.485 3.919 -0.110 1.00 1.00 C ATOM 59 O VAL A 4 -6.333 3.123 0.338 1.00 1.00 O ATOM 60 CB VAL A 4 -4.482 4.463 -2.357 1.00 1.00 C ATOM 61 CG1 VAL A 4 -3.261 4.250 -3.231 1.00 1.00 C ATOM 62 CG2 VAL A 4 -5.748 4.342 -3.186 1.00 1.00 C ATOM 0 H VAL A 4 -5.881 2.056 -1.747 1.00 1.00 H new ATOM 0 HA VAL A 4 -3.479 3.432 -0.773 1.00 1.00 H new ATOM 0 HB VAL A 4 -4.438 5.469 -1.941 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.275 4.963 -4.056 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -2.359 4.399 -2.638 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -3.271 3.235 -3.628 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -5.712 5.053 -4.011 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -5.828 3.330 -3.583 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -6.614 4.556 -2.560 1.00 1.00 H new ATOM 72 N GLU A 5 -5.428 5.158 0.271 1.00 1.00 N ATOM 73 CA GLU A 5 -6.246 5.621 1.348 1.00 1.00 C ATOM 74 C GLU A 5 -7.470 6.377 0.860 1.00 1.00 C ATOM 75 O GLU A 5 -7.444 7.580 0.621 1.00 1.00 O ATOM 76 CB GLU A 5 -5.420 6.408 2.365 1.00 1.00 C ATOM 77 CG GLU A 5 -4.362 5.541 3.045 1.00 1.00 C ATOM 78 CD GLU A 5 -4.971 4.391 3.833 1.00 1.00 C ATOM 79 OE1 GLU A 5 -5.647 4.643 4.846 1.00 1.00 O ATOM 80 OE2 GLU A 5 -4.813 3.220 3.419 1.00 1.00 O ATOM 0 H GLU A 5 -4.824 5.866 -0.147 1.00 1.00 H new ATOM 0 HA GLU A 5 -6.636 4.746 1.868 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -4.934 7.246 1.865 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -6.083 6.829 3.121 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -3.684 5.142 2.291 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -3.765 6.160 3.714 1.00 1.00 H new ATOM 87 N TYR A 6 -8.508 5.618 0.690 1.00 1.00 N ATOM 88 CA TYR A 6 -9.813 6.005 0.332 1.00 1.00 C ATOM 89 C TYR A 6 -10.630 5.154 1.249 1.00 1.00 C ATOM 90 O TYR A 6 -10.029 4.455 2.058 1.00 1.00 O ATOM 91 CB TYR A 6 -10.099 5.703 -1.141 1.00 1.00 C ATOM 92 CG TYR A 6 -9.341 6.603 -2.109 1.00 1.00 C ATOM 93 CD1 TYR A 6 -9.253 7.973 -1.893 1.00 1.00 C ATOM 94 CD2 TYR A 6 -8.720 6.086 -3.231 1.00 1.00 C ATOM 95 CE1 TYR A 6 -8.578 8.796 -2.766 1.00 1.00 C ATOM 96 CE2 TYR A 6 -8.039 6.906 -4.112 1.00 1.00 C ATOM 97 CZ TYR A 6 -7.972 8.257 -3.875 1.00 1.00 C ATOM 98 OH TYR A 6 -7.297 9.075 -4.753 1.00 1.00 O ATOM 0 H TYR A 6 -8.440 4.608 0.815 1.00 1.00 H new ATOM 0 HA TYR A 6 -10.011 7.072 0.429 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -9.841 4.664 -1.347 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -11.169 5.808 -1.323 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -9.725 8.401 -1.021 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -8.768 5.024 -3.423 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -8.525 9.859 -2.580 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -7.561 6.485 -4.984 1.00 1.00 H new ATOM 0 HH TYR A 6 -6.926 8.536 -5.483 1.00 1.00 H new ATOM 108 N ARG A 7 -11.918 5.151 1.183 1.00 1.00 N ATOM 109 CA ARG A 7 -12.645 4.412 2.212 1.00 1.00 C ATOM 110 C ARG A 7 -13.044 3.040 1.721 1.00 1.00 C ATOM 111 O ARG A 7 -13.882 2.919 0.848 1.00 1.00 O ATOM 112 CB ARG A 7 -13.883 5.182 2.665 1.00 1.00 C ATOM 113 CG ARG A 7 -13.579 6.554 3.208 1.00 1.00 C ATOM 114 CD ARG A 7 -12.925 6.480 4.567 1.00 1.00 C ATOM 115 NE ARG A 7 -12.803 7.796 5.169 1.00 1.00 N ATOM 116 CZ ARG A 7 -11.922 8.139 6.101 1.00 1.00 C ATOM 117 NH1 ARG A 7 -11.021 7.268 6.529 1.00 1.00 N ATOM 118 NH2 ARG A 7 -11.939 9.371 6.595 1.00 1.00 N ATOM 0 H ARG A 7 -12.484 5.619 0.475 1.00 1.00 H new ATOM 0 HA ARG A 7 -11.974 4.293 3.063 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -14.568 5.278 1.823 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -14.399 4.604 3.432 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -12.924 7.083 2.516 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -14.501 7.131 3.278 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -13.511 5.833 5.220 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -11.937 6.028 4.473 1.00 1.00 H new ATOM 0 HE ARG A 7 -13.449 8.518 4.849 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -11.000 6.324 6.142 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -10.348 7.541 7.245 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -12.626 10.046 6.258 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -11.266 9.643 7.311 1.00 1.00 H new ATOM 132 N PRO A 8 -12.390 1.981 2.237 1.00 1.00 N ATOM 133 CA PRO A 8 -12.755 0.620 1.913 1.00 1.00 C ATOM 134 C PRO A 8 -14.083 0.321 2.544 1.00 1.00 C ATOM 135 O PRO A 8 -14.240 0.408 3.765 1.00 1.00 O ATOM 136 CB PRO A 8 -11.645 -0.232 2.548 1.00 1.00 C ATOM 137 CG PRO A 8 -10.571 0.736 2.906 1.00 1.00 C ATOM 138 CD PRO A 8 -11.265 2.031 3.171 1.00 1.00 C ATOM 0 HA PRO A 8 -12.846 0.430 0.843 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -12.009 -0.761 3.429 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -11.280 -0.987 1.851 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -10.019 0.401 3.784 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -9.849 0.837 2.095 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -11.599 2.109 4.206 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -10.616 2.886 2.980 1.00 1.00 H new ATOM 146 N LEU A 9 -15.015 -0.002 1.744 1.00 1.00 N ATOM 147 CA LEU A 9 -16.334 -0.192 2.184 1.00 1.00 C ATOM 148 C LEU A 9 -16.764 -1.605 1.936 1.00 1.00 C ATOM 149 O LEU A 9 -16.193 -2.309 1.091 1.00 1.00 O ATOM 150 CB LEU A 9 -17.257 0.755 1.445 1.00 1.00 C ATOM 151 CG LEU A 9 -18.604 0.971 2.091 1.00 1.00 C ATOM 152 CD1 LEU A 9 -18.529 2.062 3.125 1.00 1.00 C ATOM 153 CD2 LEU A 9 -19.645 1.261 1.067 1.00 1.00 C ATOM 0 H LEU A 9 -14.881 -0.145 0.743 1.00 1.00 H new ATOM 0 HA LEU A 9 -16.382 0.010 3.254 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.759 1.720 1.347 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.412 0.373 0.436 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.892 0.051 2.599 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -19.510 2.202 3.578 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -17.810 1.784 3.895 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -18.213 2.991 2.651 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -20.606 1.413 1.558 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -19.373 2.161 0.516 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -19.719 0.421 0.376 1.00 1.00 H new ATOM 165 N THR A 10 -17.743 -2.015 2.659 1.00 1.00 N ATOM 166 CA THR A 10 -18.301 -3.305 2.500 1.00 1.00 C ATOM 167 C THR A 10 -19.544 -3.164 1.643 1.00 1.00 C ATOM 168 O THR A 10 -20.410 -2.337 1.925 1.00 1.00 O ATOM 169 CB THR A 10 -18.667 -3.900 3.872 1.00 1.00 C ATOM 170 OG1 THR A 10 -17.491 -3.907 4.713 1.00 1.00 O ATOM 171 CG2 THR A 10 -19.197 -5.321 3.721 1.00 1.00 C ATOM 0 H THR A 10 -18.184 -1.454 3.388 1.00 1.00 H new ATOM 0 HA THR A 10 -17.583 -3.974 2.026 1.00 1.00 H new ATOM 0 HB THR A 10 -19.447 -3.289 4.325 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.718 -4.283 5.589 1.00 1.00 H new ATOM 0 HG21 THR A 10 -19.449 -5.722 4.703 1.00 1.00 H new ATOM 0 HG22 THR A 10 -20.088 -5.312 3.093 1.00 1.00 H new ATOM 0 HG23 THR A 10 -18.434 -5.947 3.259 1.00 1.00 H new ATOM 179 N LEU A 11 -19.600 -3.898 0.592 1.00 1.00 N ATOM 180 CA LEU A 11 -20.713 -3.862 -0.286 1.00 1.00 C ATOM 181 C LEU A 11 -21.205 -5.292 -0.470 1.00 1.00 C ATOM 182 O LEU A 11 -20.402 -6.223 -0.506 1.00 1.00 O ATOM 183 CB LEU A 11 -20.292 -3.211 -1.609 1.00 1.00 C ATOM 184 CG LEU A 11 -21.411 -2.787 -2.553 1.00 1.00 C ATOM 185 CD1 LEU A 11 -22.368 -1.849 -1.835 1.00 1.00 C ATOM 186 CD2 LEU A 11 -20.825 -2.105 -3.782 1.00 1.00 C ATOM 0 H LEU A 11 -18.866 -4.549 0.313 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.530 -3.264 0.118 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.690 -2.332 -1.379 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -19.645 -3.909 -2.141 1.00 1.00 H new ATOM 0 HG LEU A 11 -21.961 -3.672 -2.873 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -23.165 -1.551 -2.516 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -22.799 -2.359 -0.973 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -21.827 -0.964 -1.500 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -21.632 -1.805 -4.451 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -20.262 -1.224 -3.475 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -20.162 -2.797 -4.301 1.00 1.00 H new ATOM 198 N ASN A 12 -22.483 -5.487 -0.544 1.00 1.00 N ATOM 199 CA ASN A 12 -23.018 -6.821 -0.654 1.00 1.00 C ATOM 200 C ASN A 12 -23.266 -7.194 -2.096 1.00 1.00 C ATOM 201 O ASN A 12 -24.024 -6.518 -2.800 1.00 1.00 O ATOM 202 CB ASN A 12 -24.295 -6.960 0.170 1.00 1.00 C ATOM 203 CG ASN A 12 -24.905 -8.327 0.052 1.00 1.00 C ATOM 204 OD1 ASN A 12 -25.853 -8.467 -0.827 1.00 1.00 O flip ATOM 205 ND2 ASN A 12 -24.519 -9.251 0.748 1.00 1.00 N flip ATOM 0 H ASN A 12 -23.182 -4.744 -0.531 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.276 -7.513 -0.255 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.073 -6.753 1.217 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.018 -6.213 -0.156 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -23.772 -9.101 1.427 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -24.943 -10.174 0.652 1.00 1.00 H new ATOM 212 N ALA A 13 -22.633 -8.271 -2.521 1.00 1.00 N ATOM 213 CA ALA A 13 -22.741 -8.753 -3.878 1.00 1.00 C ATOM 214 C ALA A 13 -23.986 -9.566 -4.014 1.00 1.00 C ATOM 215 O ALA A 13 -24.115 -10.637 -3.388 1.00 1.00 O ATOM 216 CB ALA A 13 -21.538 -9.603 -4.246 1.00 1.00 C ATOM 0 H ALA A 13 -22.026 -8.837 -1.928 1.00 1.00 H new ATOM 0 HA ALA A 13 -22.778 -7.897 -4.552 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -21.641 -9.955 -5.272 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -20.630 -9.007 -4.157 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.478 -10.459 -3.573 1.00 1.00 H new ATOM 222 N LEU A 14 -24.908 -9.073 -4.778 1.00 1.00 N ATOM 223 CA LEU A 14 -26.138 -9.747 -4.985 1.00 1.00 C ATOM 224 C LEU A 14 -26.636 -9.490 -6.389 1.00 1.00 C ATOM 225 O LEU A 14 -26.328 -8.470 -6.980 1.00 1.00 O ATOM 226 CB LEU A 14 -27.168 -9.260 -3.974 1.00 1.00 C ATOM 227 CG LEU A 14 -28.475 -10.028 -3.940 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.216 -11.463 -3.492 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.475 -9.331 -3.030 1.00 1.00 C ATOM 0 H LEU A 14 -24.823 -8.187 -5.276 1.00 1.00 H new ATOM 0 HA LEU A 14 -25.985 -10.818 -4.853 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -26.720 -9.298 -2.981 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -27.389 -8.214 -4.184 1.00 1.00 H new ATOM 0 HG LEU A 14 -28.906 -10.056 -4.941 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.157 -12.012 -3.469 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -27.532 -11.945 -4.191 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -27.773 -11.459 -2.496 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.408 -9.894 -3.016 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -29.070 -9.275 -2.020 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -29.665 -8.324 -3.401 1.00 1.00 H new ATOM 241 N LEU A 15 -27.377 -10.411 -6.928 1.00 1.00 N ATOM 242 CA LEU A 15 -27.970 -10.219 -8.218 1.00 1.00 C ATOM 243 C LEU A 15 -29.478 -10.328 -8.092 1.00 1.00 C ATOM 244 O LEU A 15 -29.983 -11.144 -7.327 1.00 1.00 O ATOM 245 CB LEU A 15 -27.365 -11.154 -9.295 1.00 1.00 C ATOM 246 CG LEU A 15 -27.936 -12.558 -9.423 1.00 1.00 C ATOM 247 CD1 LEU A 15 -27.275 -13.294 -10.579 1.00 1.00 C ATOM 248 CD2 LEU A 15 -27.739 -13.333 -8.160 1.00 1.00 C ATOM 0 H LEU A 15 -27.587 -11.309 -6.491 1.00 1.00 H new ATOM 0 HA LEU A 15 -27.735 -9.216 -8.575 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -27.469 -10.661 -10.262 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -26.297 -11.244 -9.097 1.00 1.00 H new ATOM 0 HG LEU A 15 -29.005 -12.468 -9.615 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -27.694 -14.297 -10.658 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -27.455 -12.751 -11.507 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -26.202 -13.362 -10.401 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -28.156 -14.333 -8.278 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -26.674 -13.408 -7.941 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -28.243 -12.824 -7.338 1.00 1.00 H new ATOM 260 N ALA A 16 -30.174 -9.496 -8.793 1.00 1.00 N ATOM 261 CA ALA A 16 -31.614 -9.409 -8.683 1.00 1.00 C ATOM 262 C ALA A 16 -32.283 -9.828 -9.981 1.00 1.00 C ATOM 263 O ALA A 16 -33.241 -9.189 -10.442 1.00 1.00 O ATOM 264 CB ALA A 16 -31.987 -8.001 -8.325 1.00 1.00 C ATOM 0 H ALA A 16 -29.768 -8.847 -9.467 1.00 1.00 H new ATOM 0 HA ALA A 16 -31.959 -10.088 -7.903 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.071 -7.922 -8.239 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.527 -7.734 -7.374 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.634 -7.322 -9.102 1.00 1.00 H new ATOM 270 N VAL A 17 -31.775 -10.898 -10.561 1.00 1.00 N ATOM 271 CA VAL A 17 -32.238 -11.405 -11.791 1.00 1.00 C ATOM 272 C VAL A 17 -33.688 -11.918 -11.690 1.00 1.00 C ATOM 273 O VAL A 17 -34.522 -11.612 -12.540 1.00 1.00 O ATOM 274 CB VAL A 17 -31.309 -12.538 -12.233 1.00 1.00 C ATOM 275 CG1 VAL A 17 -31.825 -13.177 -13.445 1.00 1.00 C ATOM 276 CG2 VAL A 17 -29.902 -12.034 -12.454 1.00 1.00 C ATOM 0 H VAL A 17 -31.008 -11.437 -10.160 1.00 1.00 H new ATOM 0 HA VAL A 17 -32.232 -10.599 -12.525 1.00 1.00 H new ATOM 0 HB VAL A 17 -31.276 -13.280 -11.435 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -31.153 -13.981 -13.747 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -32.815 -13.587 -13.247 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -31.891 -12.440 -14.245 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -29.264 -12.861 -12.767 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -29.908 -11.267 -13.228 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -29.517 -11.610 -11.526 1.00 1.00 H new ATOM 286 N GLY A 18 -33.974 -12.684 -10.651 1.00 1.00 N ATOM 287 CA GLY A 18 -35.310 -13.225 -10.488 1.00 1.00 C ATOM 288 C GLY A 18 -35.357 -14.421 -9.543 1.00 1.00 C ATOM 289 O GLY A 18 -35.687 -14.263 -8.377 1.00 1.00 O ATOM 0 H GLY A 18 -33.311 -12.941 -9.920 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -35.969 -12.444 -10.109 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -35.697 -13.523 -11.462 1.00 1.00 H new ATOM 293 N PRO A 19 -34.998 -15.635 -10.020 1.00 1.00 N ATOM 294 CA PRO A 19 -35.067 -16.871 -9.209 1.00 1.00 C ATOM 295 C PRO A 19 -34.151 -16.832 -7.994 1.00 1.00 C ATOM 296 O PRO A 19 -34.442 -17.431 -6.955 1.00 1.00 O ATOM 297 CB PRO A 19 -34.598 -17.960 -10.180 1.00 1.00 C ATOM 298 CG PRO A 19 -33.816 -17.234 -11.216 1.00 1.00 C ATOM 299 CD PRO A 19 -34.494 -15.907 -11.373 1.00 1.00 C ATOM 0 HA PRO A 19 -36.068 -17.029 -8.807 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -33.986 -18.706 -9.673 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -35.444 -18.488 -10.621 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -32.778 -17.110 -10.909 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -33.806 -17.784 -12.157 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -33.800 -15.136 -11.709 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -35.301 -15.950 -12.104 1.00 1.00 H new ATOM 307 N GLY A 20 -33.060 -16.132 -8.140 1.00 1.00 N ATOM 308 CA GLY A 20 -32.123 -15.978 -7.101 1.00 1.00 C ATOM 309 C GLY A 20 -31.863 -14.526 -6.876 1.00 1.00 C ATOM 310 O GLY A 20 -30.741 -14.117 -6.659 1.00 1.00 O ATOM 0 H GLY A 20 -32.808 -15.652 -9.004 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -32.499 -16.437 -6.187 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -31.195 -16.489 -7.355 1.00 1.00 H new ATOM 314 N ALA A 21 -32.920 -13.737 -6.913 1.00 1.00 N ATOM 315 CA ALA A 21 -32.839 -12.275 -6.758 1.00 1.00 C ATOM 316 C ALA A 21 -32.607 -11.858 -5.297 1.00 1.00 C ATOM 317 O ALA A 21 -33.037 -10.786 -4.866 1.00 1.00 O ATOM 318 CB ALA A 21 -34.105 -11.630 -7.288 1.00 1.00 C ATOM 0 H ALA A 21 -33.870 -14.082 -7.052 1.00 1.00 H new ATOM 0 HA ALA A 21 -31.980 -11.931 -7.334 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.039 -10.548 -7.170 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -34.223 -11.874 -8.344 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -34.964 -12.004 -6.731 1.00 1.00 H new ATOM 324 N GLY A 22 -31.908 -12.679 -4.571 1.00 1.00 N ATOM 325 CA GLY A 22 -31.684 -12.426 -3.177 1.00 1.00 C ATOM 326 C GLY A 22 -31.106 -13.621 -2.494 1.00 1.00 C ATOM 327 O GLY A 22 -30.173 -13.509 -1.713 1.00 1.00 O ATOM 0 H GLY A 22 -31.480 -13.535 -4.923 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -31.009 -11.578 -3.063 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -32.625 -12.151 -2.700 1.00 1.00 H new ATOM 331 N GLU A 23 -31.616 -14.776 -2.837 1.00 1.00 N ATOM 332 CA GLU A 23 -31.189 -16.030 -2.214 1.00 1.00 C ATOM 333 C GLU A 23 -29.986 -16.642 -2.923 1.00 1.00 C ATOM 334 O GLU A 23 -29.593 -17.764 -2.647 1.00 1.00 O ATOM 335 CB GLU A 23 -32.337 -17.024 -2.213 1.00 1.00 C ATOM 336 CG GLU A 23 -32.854 -17.370 -3.606 1.00 1.00 C ATOM 337 CD GLU A 23 -33.917 -18.423 -3.566 1.00 1.00 C ATOM 338 OE1 GLU A 23 -35.090 -18.088 -3.322 1.00 1.00 O ATOM 339 OE2 GLU A 23 -33.599 -19.608 -3.755 1.00 1.00 O ATOM 0 H GLU A 23 -32.336 -14.888 -3.551 1.00 1.00 H new ATOM 0 HA GLU A 23 -30.892 -15.801 -1.191 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -32.012 -17.939 -1.719 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -33.157 -16.617 -1.622 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -33.252 -16.472 -4.078 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -32.025 -17.715 -4.224 1.00 1.00 H new ATOM 346 N ALA A 24 -29.404 -15.892 -3.809 1.00 1.00 N ATOM 347 CA ALA A 24 -28.331 -16.383 -4.630 1.00 1.00 C ATOM 348 C ALA A 24 -27.036 -16.474 -3.889 1.00 1.00 C ATOM 349 O ALA A 24 -26.533 -17.548 -3.619 1.00 1.00 O ATOM 350 CB ALA A 24 -28.135 -15.468 -5.775 1.00 1.00 C ATOM 0 H ALA A 24 -29.658 -14.920 -3.986 1.00 1.00 H new ATOM 0 HA ALA A 24 -28.612 -17.384 -4.956 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -27.322 -15.837 -6.400 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -29.052 -15.419 -6.363 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -27.887 -14.473 -5.407 1.00 1.00 H new ATOM 356 N GLN A 25 -26.508 -15.336 -3.557 1.00 1.00 N ATOM 357 CA GLN A 25 -25.210 -15.259 -2.987 1.00 1.00 C ATOM 358 C GLN A 25 -25.218 -14.384 -1.740 1.00 1.00 C ATOM 359 O GLN A 25 -25.120 -14.894 -0.630 1.00 1.00 O ATOM 360 CB GLN A 25 -24.206 -14.777 -4.068 1.00 1.00 C ATOM 361 CG GLN A 25 -24.655 -13.530 -4.854 1.00 1.00 C ATOM 362 CD GLN A 25 -23.962 -13.370 -6.192 1.00 1.00 C ATOM 363 OE1 GLN A 25 -23.731 -14.464 -6.869 1.00 1.00 O flip ATOM 364 NE2 GLN A 25 -23.673 -12.257 -6.625 1.00 1.00 N flip ATOM 0 H GLN A 25 -26.971 -14.435 -3.676 1.00 1.00 H new ATOM 0 HA GLN A 25 -24.886 -16.245 -2.655 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -23.251 -14.563 -3.588 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -24.033 -15.591 -4.772 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -25.732 -13.582 -5.017 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -24.467 -12.643 -4.249 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -23.869 -11.426 -6.067 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -23.237 -12.164 -7.543 1.00 1.00 H new ATOM 373 N GLY A 26 -25.407 -13.083 -1.928 1.00 1.00 N ATOM 374 CA GLY A 26 -25.377 -12.145 -0.807 1.00 1.00 C ATOM 375 C GLY A 26 -24.067 -12.220 -0.064 1.00 1.00 C ATOM 376 O GLY A 26 -24.016 -12.608 1.110 1.00 1.00 O ATOM 0 H GLY A 26 -25.581 -12.654 -2.837 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.531 -11.131 -1.175 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.198 -12.365 -0.124 1.00 1.00 H new ATOM 380 N VAL A 27 -23.018 -11.862 -0.746 1.00 1.00 N ATOM 381 CA VAL A 27 -21.690 -11.966 -0.196 1.00 1.00 C ATOM 382 C VAL A 27 -21.158 -10.589 0.122 1.00 1.00 C ATOM 383 O VAL A 27 -21.163 -9.714 -0.741 1.00 1.00 O ATOM 384 CB VAL A 27 -20.724 -12.665 -1.194 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.383 -12.978 -0.541 1.00 1.00 C ATOM 386 CG2 VAL A 27 -21.357 -13.927 -1.753 1.00 1.00 C ATOM 0 H VAL A 27 -23.054 -11.491 -1.695 1.00 1.00 H new ATOM 0 HA VAL A 27 -21.748 -12.564 0.713 1.00 1.00 H new ATOM 0 HB VAL A 27 -20.538 -11.976 -2.018 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -18.731 -13.466 -1.265 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -18.919 -12.052 -0.201 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -19.539 -13.640 0.311 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -20.666 -14.403 -2.449 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -21.580 -14.614 -0.937 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -22.279 -13.671 -2.274 1.00 1.00 H new ATOM 396 N PRO A 28 -20.718 -10.354 1.357 1.00 1.00 N ATOM 397 CA PRO A 28 -20.109 -9.093 1.718 1.00 1.00 C ATOM 398 C PRO A 28 -18.697 -8.986 1.124 1.00 1.00 C ATOM 399 O PRO A 28 -17.739 -9.622 1.590 1.00 1.00 O ATOM 400 CB PRO A 28 -20.073 -9.124 3.249 1.00 1.00 C ATOM 401 CG PRO A 28 -20.093 -10.570 3.612 1.00 1.00 C ATOM 402 CD PRO A 28 -20.803 -11.288 2.495 1.00 1.00 C ATOM 0 HA PRO A 28 -20.656 -8.231 1.337 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -19.177 -8.634 3.632 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -20.929 -8.600 3.674 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -19.080 -10.952 3.735 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -20.609 -10.724 4.560 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -20.325 -12.240 2.266 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.839 -11.506 2.756 1.00 1.00 H new ATOM 410 N VAL A 29 -18.590 -8.199 0.101 1.00 1.00 N ATOM 411 CA VAL A 29 -17.355 -8.000 -0.614 1.00 1.00 C ATOM 412 C VAL A 29 -16.834 -6.615 -0.284 1.00 1.00 C ATOM 413 O VAL A 29 -17.606 -5.742 0.121 1.00 1.00 O ATOM 414 CB VAL A 29 -17.571 -8.137 -2.154 1.00 1.00 C ATOM 415 CG1 VAL A 29 -16.249 -8.167 -2.909 1.00 1.00 C ATOM 416 CG2 VAL A 29 -18.387 -9.375 -2.474 1.00 1.00 C ATOM 0 H VAL A 29 -19.372 -7.662 -0.274 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.634 -8.760 -0.313 1.00 1.00 H new ATOM 0 HB VAL A 29 -18.123 -7.256 -2.483 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -16.442 -8.263 -3.977 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -15.702 -7.243 -2.721 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.655 -9.016 -2.570 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.525 -9.451 -3.553 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -17.863 -10.260 -2.112 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -19.360 -9.305 -1.987 1.00 1.00 H new ATOM 426 N LYS A 30 -15.563 -6.412 -0.417 1.00 1.00 N ATOM 427 CA LYS A 30 -15.012 -5.121 -0.077 1.00 1.00 C ATOM 428 C LYS A 30 -14.522 -4.412 -1.314 1.00 1.00 C ATOM 429 O LYS A 30 -14.077 -5.047 -2.276 1.00 1.00 O ATOM 430 CB LYS A 30 -13.915 -5.204 0.996 1.00 1.00 C ATOM 431 CG LYS A 30 -12.532 -5.526 0.468 1.00 1.00 C ATOM 432 CD LYS A 30 -11.503 -5.571 1.577 1.00 1.00 C ATOM 433 CE LYS A 30 -11.304 -4.208 2.227 1.00 1.00 C ATOM 434 NZ LYS A 30 -10.176 -4.209 3.178 1.00 1.00 N ATOM 0 H LYS A 30 -14.890 -7.102 -0.751 1.00 1.00 H new ATOM 0 HA LYS A 30 -15.819 -4.535 0.362 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -13.873 -4.253 1.527 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -14.196 -5.964 1.725 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -12.554 -6.487 -0.047 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -12.240 -4.777 -0.268 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -11.816 -6.291 2.333 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -10.553 -5.923 1.176 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -11.126 -3.460 1.454 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -12.217 -3.918 2.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -10.075 -3.263 3.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -10.357 -4.904 3.930 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -9.300 -4.461 2.677 1.00 1.00 H new ATOM 448 N VAL A 31 -14.616 -3.122 -1.288 1.00 1.00 N ATOM 449 CA VAL A 31 -14.265 -2.287 -2.409 1.00 1.00 C ATOM 450 C VAL A 31 -13.975 -0.863 -1.901 1.00 1.00 C ATOM 451 O VAL A 31 -14.316 -0.547 -0.770 1.00 1.00 O ATOM 452 CB VAL A 31 -15.421 -2.293 -3.450 1.00 1.00 C ATOM 453 CG1 VAL A 31 -16.694 -1.661 -2.900 1.00 1.00 C ATOM 454 CG2 VAL A 31 -15.000 -1.657 -4.746 1.00 1.00 C ATOM 0 H VAL A 31 -14.945 -2.601 -0.475 1.00 1.00 H new ATOM 0 HA VAL A 31 -13.371 -2.670 -2.900 1.00 1.00 H new ATOM 0 HB VAL A 31 -15.654 -3.337 -3.659 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -17.472 -1.688 -3.662 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -17.026 -2.216 -2.023 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.495 -0.626 -2.621 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -15.832 -1.679 -5.449 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -14.705 -0.623 -4.565 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -14.157 -2.207 -5.164 1.00 1.00 H new ATOM 464 N LEU A 32 -13.329 -0.023 -2.693 1.00 1.00 N ATOM 465 CA LEU A 32 -13.070 1.332 -2.268 1.00 1.00 C ATOM 466 C LEU A 32 -14.204 2.247 -2.567 1.00 1.00 C ATOM 467 O LEU A 32 -14.994 2.018 -3.472 1.00 1.00 O ATOM 468 CB LEU A 32 -11.867 1.932 -2.925 1.00 1.00 C ATOM 469 CG LEU A 32 -10.510 1.524 -2.452 1.00 1.00 C ATOM 470 CD1 LEU A 32 -9.535 2.410 -3.146 1.00 1.00 C ATOM 471 CD2 LEU A 32 -10.379 1.679 -0.940 1.00 1.00 C ATOM 0 H LEU A 32 -12.980 -0.257 -3.622 1.00 1.00 H new ATOM 0 HA LEU A 32 -12.912 1.243 -1.193 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -11.926 1.708 -3.990 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -11.941 3.015 -2.822 1.00 1.00 H new ATOM 0 HG LEU A 32 -10.328 0.473 -2.678 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -8.523 2.152 -2.834 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -9.627 2.278 -4.224 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.740 3.449 -2.889 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.380 1.374 -0.628 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -10.542 2.721 -0.666 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -11.121 1.053 -0.444 1.00 1.00 H new ATOM 483 N ASP A 33 -14.221 3.331 -1.829 1.00 1.00 N ATOM 484 CA ASP A 33 -15.175 4.420 -2.001 1.00 1.00 C ATOM 485 C ASP A 33 -14.963 5.061 -3.355 1.00 1.00 C ATOM 486 O ASP A 33 -15.922 5.495 -4.038 1.00 1.00 O ATOM 487 CB ASP A 33 -14.898 5.440 -0.899 1.00 1.00 C ATOM 488 CG ASP A 33 -15.747 6.686 -0.968 1.00 1.00 C ATOM 489 OD1 ASP A 33 -16.943 6.612 -0.688 1.00 1.00 O ATOM 490 OD2 ASP A 33 -15.196 7.774 -1.254 1.00 1.00 O ATOM 0 H ASP A 33 -13.558 3.492 -1.071 1.00 1.00 H new ATOM 0 HA ASP A 33 -16.201 4.057 -1.943 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -15.055 4.962 0.068 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -13.848 5.729 -0.945 1.00 1.00 H new ATOM 495 N CYS A 34 -13.702 5.034 -3.762 1.00 1.00 N ATOM 496 CA CYS A 34 -13.211 5.649 -4.973 1.00 1.00 C ATOM 497 C CYS A 34 -13.157 4.639 -6.127 1.00 1.00 C ATOM 498 O CYS A 34 -12.627 4.927 -7.205 1.00 1.00 O ATOM 499 CB CYS A 34 -11.821 6.247 -4.683 1.00 1.00 C ATOM 500 SG CYS A 34 -11.010 7.106 -6.052 1.00 1.00 S ATOM 0 H CYS A 34 -12.969 4.563 -3.232 1.00 1.00 H new ATOM 0 HA CYS A 34 -13.891 6.441 -5.286 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -11.917 6.945 -3.851 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.166 5.442 -4.350 1.00 1.00 H new ATOM 0 HG CYS A 34 -11.312 6.519 -7.172 1.00 1.00 H new ATOM 506 N ASP A 35 -13.663 3.456 -5.915 1.00 1.00 N ATOM 507 CA ASP A 35 -13.716 2.521 -6.979 1.00 1.00 C ATOM 508 C ASP A 35 -14.963 2.761 -7.764 1.00 1.00 C ATOM 509 O ASP A 35 -16.006 3.146 -7.206 1.00 1.00 O ATOM 510 CB ASP A 35 -13.597 1.072 -6.511 1.00 1.00 C ATOM 511 CG ASP A 35 -12.178 0.693 -6.098 1.00 1.00 C ATOM 512 OD1 ASP A 35 -11.229 1.464 -6.392 1.00 1.00 O ATOM 513 OD2 ASP A 35 -11.999 -0.376 -5.480 1.00 1.00 O ATOM 0 H ASP A 35 -14.037 3.129 -5.024 1.00 1.00 H new ATOM 0 HA ASP A 35 -12.848 2.676 -7.620 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -14.270 0.912 -5.668 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -13.926 0.409 -7.312 1.00 1.00 H new ATOM 518 N THR A 36 -14.864 2.567 -9.031 1.00 1.00 N ATOM 519 CA THR A 36 -15.934 2.846 -9.930 1.00 1.00 C ATOM 520 C THR A 36 -16.881 1.673 -9.958 1.00 1.00 C ATOM 521 O THR A 36 -16.571 0.639 -9.420 1.00 1.00 O ATOM 522 CB THR A 36 -15.395 3.141 -11.343 1.00 1.00 C ATOM 523 OG1 THR A 36 -14.643 2.019 -11.807 1.00 1.00 O ATOM 524 CG2 THR A 36 -14.500 4.375 -11.326 1.00 1.00 C ATOM 0 H THR A 36 -14.025 2.204 -9.483 1.00 1.00 H new ATOM 0 HA THR A 36 -16.469 3.731 -9.585 1.00 1.00 H new ATOM 0 HB THR A 36 -16.238 3.326 -12.009 1.00 1.00 H new ATOM 0 HG1 THR A 36 -15.084 1.631 -12.592 1.00 1.00 H new ATOM 0 HG21 THR A 36 -14.128 4.569 -12.332 1.00 1.00 H new ATOM 0 HG22 THR A 36 -15.073 5.235 -10.979 1.00 1.00 H new ATOM 0 HG23 THR A 36 -13.658 4.205 -10.655 1.00 1.00 H new ATOM 532 N ILE A 37 -18.022 1.828 -10.571 1.00 1.00 N ATOM 533 CA ILE A 37 -18.985 0.756 -10.638 1.00 1.00 C ATOM 534 C ILE A 37 -18.402 -0.435 -11.374 1.00 1.00 C ATOM 535 O ILE A 37 -18.548 -1.550 -10.933 1.00 1.00 O ATOM 536 CB ILE A 37 -20.322 1.198 -11.287 1.00 1.00 C ATOM 537 CG1 ILE A 37 -20.863 2.450 -10.580 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.352 0.069 -11.218 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.083 2.291 -9.105 1.00 1.00 C ATOM 0 H ILE A 37 -18.312 2.689 -11.034 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.212 0.465 -9.612 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.137 1.434 -12.335 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.166 3.272 -10.743 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -21.807 2.734 -11.046 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.284 0.398 -11.678 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -20.972 -0.803 -11.750 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -21.535 -0.193 -10.176 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.465 3.224 -8.691 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -21.805 1.493 -8.929 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.139 2.040 -8.621 1.00 1.00 H new ATOM 551 N SER A 38 -17.723 -0.191 -12.471 1.00 1.00 N ATOM 552 CA SER A 38 -17.075 -1.251 -13.217 1.00 1.00 C ATOM 553 C SER A 38 -15.968 -1.910 -12.374 1.00 1.00 C ATOM 554 O SER A 38 -15.827 -3.149 -12.347 1.00 1.00 O ATOM 555 CB SER A 38 -16.508 -0.667 -14.499 1.00 1.00 C ATOM 556 OG SER A 38 -16.002 0.642 -14.249 1.00 1.00 O ATOM 0 H SER A 38 -17.603 0.740 -12.871 1.00 1.00 H new ATOM 0 HA SER A 38 -17.801 -2.026 -13.463 1.00 1.00 H new ATOM 0 HB2 SER A 38 -15.713 -1.308 -14.881 1.00 1.00 H new ATOM 0 HB3 SER A 38 -17.282 -0.628 -15.265 1.00 1.00 H new ATOM 0 HG SER A 38 -15.635 1.015 -15.078 1.00 1.00 H new ATOM 562 N GLN A 39 -15.227 -1.077 -11.655 1.00 1.00 N ATOM 563 CA GLN A 39 -14.114 -1.521 -10.830 1.00 1.00 C ATOM 564 C GLN A 39 -14.619 -2.180 -9.546 1.00 1.00 C ATOM 565 O GLN A 39 -13.927 -2.947 -8.906 1.00 1.00 O ATOM 566 CB GLN A 39 -13.225 -0.337 -10.518 1.00 1.00 C ATOM 567 CG GLN A 39 -11.859 -0.689 -9.999 1.00 1.00 C ATOM 568 CD GLN A 39 -10.959 0.517 -9.873 1.00 1.00 C ATOM 569 OE1 GLN A 39 -10.119 0.585 -8.972 1.00 1.00 O ATOM 570 NE2 GLN A 39 -11.106 1.463 -10.774 1.00 1.00 N ATOM 0 H GLN A 39 -15.383 -0.069 -11.628 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.536 -2.268 -11.375 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -13.111 0.261 -11.422 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -13.727 0.291 -9.782 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -11.957 -1.169 -9.025 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.396 -1.415 -10.667 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -11.813 1.368 -11.503 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -10.513 2.292 -10.744 1.00 1.00 H new ATOM 579 N ALA A 40 -15.787 -1.825 -9.141 1.00 1.00 N ATOM 580 CA ALA A 40 -16.408 -2.490 -8.016 1.00 1.00 C ATOM 581 C ALA A 40 -17.069 -3.770 -8.442 1.00 1.00 C ATOM 582 O ALA A 40 -16.994 -4.778 -7.740 1.00 1.00 O ATOM 583 CB ALA A 40 -17.360 -1.585 -7.263 1.00 1.00 C ATOM 0 H ALA A 40 -16.343 -1.080 -9.561 1.00 1.00 H new ATOM 0 HA ALA A 40 -15.613 -2.745 -7.315 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -17.799 -2.132 -6.429 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -16.816 -0.720 -6.883 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.151 -1.250 -7.934 1.00 1.00 H new ATOM 589 N LYS A 41 -17.664 -3.745 -9.618 1.00 1.00 N ATOM 590 CA LYS A 41 -18.342 -4.897 -10.179 1.00 1.00 C ATOM 591 C LYS A 41 -17.410 -6.051 -10.291 1.00 1.00 C ATOM 592 O LYS A 41 -17.809 -7.192 -10.068 1.00 1.00 O ATOM 593 CB LYS A 41 -18.902 -4.590 -11.562 1.00 1.00 C ATOM 594 CG LYS A 41 -20.286 -3.960 -11.583 1.00 1.00 C ATOM 595 CD LYS A 41 -21.378 -5.021 -11.479 1.00 1.00 C ATOM 596 CE LYS A 41 -21.691 -5.664 -12.841 1.00 1.00 C ATOM 597 NZ LYS A 41 -20.567 -6.486 -13.365 1.00 1.00 N ATOM 0 H LYS A 41 -17.691 -2.919 -10.216 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.162 -5.146 -9.506 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -18.210 -3.922 -12.075 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -18.935 -5.516 -12.135 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -20.380 -3.256 -10.757 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -20.415 -3.391 -12.503 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -21.066 -5.794 -10.777 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -22.284 -4.570 -11.075 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -22.579 -6.289 -12.746 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -21.928 -4.881 -13.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -20.914 -7.103 -14.127 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -19.824 -5.861 -13.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -20.177 -7.070 -12.598 1.00 1.00 H new ATOM 611 N GLU A 42 -16.163 -5.750 -10.611 1.00 1.00 N ATOM 612 CA GLU A 42 -15.183 -6.750 -10.810 1.00 1.00 C ATOM 613 C GLU A 42 -14.952 -7.541 -9.540 1.00 1.00 C ATOM 614 O GLU A 42 -14.910 -8.749 -9.579 1.00 1.00 O ATOM 615 CB GLU A 42 -13.908 -6.125 -11.349 1.00 1.00 C ATOM 616 CG GLU A 42 -13.140 -5.260 -10.403 1.00 1.00 C ATOM 617 CD GLU A 42 -11.837 -4.765 -10.986 1.00 1.00 C ATOM 618 OE1 GLU A 42 -11.819 -3.717 -11.666 1.00 1.00 O ATOM 619 OE2 GLU A 42 -10.810 -5.414 -10.769 1.00 1.00 O ATOM 0 H GLU A 42 -15.822 -4.797 -10.735 1.00 1.00 H new ATOM 0 HA GLU A 42 -15.540 -7.461 -11.555 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -13.252 -6.926 -11.688 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -14.164 -5.530 -12.225 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -13.754 -4.405 -10.120 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -12.935 -5.820 -9.491 1.00 1.00 H new ATOM 626 N LYS A 43 -14.822 -6.842 -8.436 1.00 1.00 N ATOM 627 CA LYS A 43 -14.679 -7.470 -7.115 1.00 1.00 C ATOM 628 C LYS A 43 -15.940 -8.131 -6.616 1.00 1.00 C ATOM 629 O LYS A 43 -15.869 -9.197 -5.997 1.00 1.00 O ATOM 630 CB LYS A 43 -14.094 -6.553 -6.042 1.00 1.00 C ATOM 631 CG LYS A 43 -12.589 -6.359 -6.136 1.00 1.00 C ATOM 632 CD LYS A 43 -11.802 -7.698 -6.106 1.00 1.00 C ATOM 633 CE LYS A 43 -11.905 -8.418 -4.759 1.00 1.00 C ATOM 634 NZ LYS A 43 -11.180 -9.723 -4.770 1.00 1.00 N ATOM 0 H LYS A 43 -14.811 -5.822 -8.414 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.945 -8.256 -7.294 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -14.579 -5.579 -6.110 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -14.335 -6.962 -5.061 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -12.354 -5.826 -7.057 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -12.257 -5.730 -5.310 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -12.178 -8.353 -6.892 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -10.753 -7.502 -6.329 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -11.495 -7.782 -3.975 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -12.954 -8.587 -4.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -11.513 -10.312 -3.980 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -11.363 -10.214 -5.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -10.159 -9.554 -4.670 1.00 1.00 H new ATOM 648 N MET A 44 -17.082 -7.512 -6.867 1.00 1.00 N ATOM 649 CA MET A 44 -18.356 -8.041 -6.364 1.00 1.00 C ATOM 650 C MET A 44 -18.578 -9.445 -6.915 1.00 1.00 C ATOM 651 O MET A 44 -18.874 -10.380 -6.179 1.00 1.00 O ATOM 652 CB MET A 44 -19.525 -7.163 -6.850 1.00 1.00 C ATOM 653 CG MET A 44 -19.512 -5.725 -6.373 1.00 1.00 C ATOM 654 SD MET A 44 -20.749 -5.397 -5.128 1.00 1.00 S ATOM 655 CE MET A 44 -20.003 -6.157 -3.712 1.00 1.00 C ATOM 0 H MET A 44 -17.162 -6.652 -7.409 1.00 1.00 H new ATOM 0 HA MET A 44 -18.317 -8.051 -5.275 1.00 1.00 H new ATOM 0 HB2 MET A 44 -19.527 -7.164 -7.940 1.00 1.00 H new ATOM 0 HB3 MET A 44 -20.459 -7.624 -6.529 1.00 1.00 H new ATOM 0 HG2 MET A 44 -18.527 -5.490 -5.970 1.00 1.00 H new ATOM 0 HG3 MET A 44 -19.675 -5.063 -7.224 1.00 1.00 H new ATOM 0 HE1 MET A 44 -20.736 -6.228 -2.908 1.00 1.00 H new ATOM 0 HE2 MET A 44 -19.656 -7.156 -3.976 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.157 -5.555 -3.380 1.00 1.00 H new ATOM 665 N LEU A 45 -18.408 -9.580 -8.213 1.00 1.00 N ATOM 666 CA LEU A 45 -18.533 -10.865 -8.850 1.00 1.00 C ATOM 667 C LEU A 45 -17.302 -11.739 -8.654 1.00 1.00 C ATOM 668 O LEU A 45 -17.396 -12.930 -8.720 1.00 1.00 O ATOM 669 CB LEU A 45 -19.023 -10.792 -10.323 1.00 1.00 C ATOM 670 CG LEU A 45 -18.348 -9.794 -11.268 1.00 1.00 C ATOM 671 CD1 LEU A 45 -16.946 -10.223 -11.615 1.00 1.00 C ATOM 672 CD2 LEU A 45 -19.176 -9.615 -12.528 1.00 1.00 C ATOM 0 H LEU A 45 -18.183 -8.812 -8.845 1.00 1.00 H new ATOM 0 HA LEU A 45 -19.341 -11.374 -8.325 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -18.915 -11.786 -10.758 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -20.089 -10.565 -10.307 1.00 1.00 H new ATOM 0 HG LEU A 45 -18.283 -8.837 -10.750 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -16.497 -9.491 -12.287 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -16.351 -10.292 -10.704 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -16.974 -11.196 -12.105 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -18.683 -8.903 -13.189 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -19.276 -10.574 -13.037 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -20.165 -9.240 -12.263 1.00 1.00 H new ATOM 684 N ASP A 46 -16.153 -11.101 -8.399 1.00 1.00 N ATOM 685 CA ASP A 46 -14.813 -11.763 -8.243 1.00 1.00 C ATOM 686 C ASP A 46 -14.853 -12.918 -7.275 1.00 1.00 C ATOM 687 O ASP A 46 -14.169 -13.910 -7.464 1.00 1.00 O ATOM 688 CB ASP A 46 -13.787 -10.738 -7.737 1.00 1.00 C ATOM 689 CG ASP A 46 -12.350 -11.185 -7.784 1.00 1.00 C ATOM 690 OD1 ASP A 46 -11.752 -11.196 -8.892 1.00 1.00 O ATOM 691 OD2 ASP A 46 -11.775 -11.484 -6.713 1.00 1.00 O ATOM 0 H ASP A 46 -16.107 -10.088 -8.290 1.00 1.00 H new ATOM 0 HA ASP A 46 -14.530 -12.149 -9.223 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -13.886 -9.828 -8.328 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -14.035 -10.478 -6.708 1.00 1.00 H new ATOM 696 N GLN A 47 -15.665 -12.786 -6.255 1.00 1.00 N ATOM 697 CA GLN A 47 -15.778 -13.803 -5.217 1.00 1.00 C ATOM 698 C GLN A 47 -16.401 -15.079 -5.776 1.00 1.00 C ATOM 699 O GLN A 47 -16.118 -16.178 -5.310 1.00 1.00 O ATOM 700 CB GLN A 47 -16.620 -13.289 -4.045 1.00 1.00 C ATOM 701 CG GLN A 47 -16.134 -11.980 -3.430 1.00 1.00 C ATOM 702 CD GLN A 47 -14.758 -12.041 -2.782 1.00 1.00 C ATOM 703 OE1 GLN A 47 -13.884 -12.828 -3.162 1.00 1.00 O ATOM 704 NE2 GLN A 47 -14.562 -11.202 -1.797 1.00 1.00 N ATOM 0 H GLN A 47 -16.268 -11.976 -6.113 1.00 1.00 H new ATOM 0 HA GLN A 47 -14.773 -14.028 -4.859 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -17.647 -13.154 -4.386 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -16.640 -14.053 -3.268 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -16.119 -11.216 -4.207 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -16.857 -11.658 -2.681 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -15.308 -10.567 -1.512 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -13.663 -11.183 -1.315 1.00 1.00 H new ATOM 713 N LEU A 48 -17.246 -14.913 -6.770 1.00 1.00 N ATOM 714 CA LEU A 48 -17.981 -16.017 -7.382 1.00 1.00 C ATOM 715 C LEU A 48 -17.353 -16.404 -8.720 1.00 1.00 C ATOM 716 O LEU A 48 -17.231 -17.576 -9.060 1.00 1.00 O ATOM 717 CB LEU A 48 -19.453 -15.601 -7.611 1.00 1.00 C ATOM 718 CG LEU A 48 -20.293 -15.208 -6.369 1.00 1.00 C ATOM 719 CD1 LEU A 48 -19.977 -16.084 -5.164 1.00 1.00 C ATOM 720 CD2 LEU A 48 -20.135 -13.725 -6.034 1.00 1.00 C ATOM 0 H LEU A 48 -17.449 -14.004 -7.185 1.00 1.00 H new ATOM 0 HA LEU A 48 -17.939 -16.874 -6.710 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -19.459 -14.757 -8.301 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -19.960 -16.426 -8.112 1.00 1.00 H new ATOM 0 HG LEU A 48 -21.338 -15.381 -6.625 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -20.589 -15.773 -4.317 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -20.193 -17.125 -5.404 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -18.923 -15.982 -4.907 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -20.737 -13.484 -5.158 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -19.087 -13.509 -5.825 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -20.467 -13.123 -6.880 1.00 1.00 H new ATOM 732 N TYR A 49 -16.924 -15.396 -9.446 1.00 1.00 N ATOM 733 CA TYR A 49 -16.342 -15.532 -10.773 1.00 1.00 C ATOM 734 C TYR A 49 -14.851 -15.752 -10.707 1.00 1.00 C ATOM 735 O TYR A 49 -14.147 -15.560 -11.695 1.00 1.00 O ATOM 736 CB TYR A 49 -16.639 -14.287 -11.624 1.00 1.00 C ATOM 737 CG TYR A 49 -18.010 -14.262 -12.263 1.00 1.00 C ATOM 738 CD1 TYR A 49 -19.158 -14.044 -11.511 1.00 1.00 C ATOM 739 CD2 TYR A 49 -18.153 -14.458 -13.628 1.00 1.00 C ATOM 740 CE1 TYR A 49 -20.405 -14.017 -12.106 1.00 1.00 C ATOM 741 CE2 TYR A 49 -19.393 -14.431 -14.227 1.00 1.00 C ATOM 742 CZ TYR A 49 -20.513 -14.213 -13.465 1.00 1.00 C ATOM 743 OH TYR A 49 -21.748 -14.187 -14.068 1.00 1.00 O ATOM 0 H TYR A 49 -16.969 -14.429 -9.125 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.798 -16.407 -11.237 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -16.531 -13.402 -10.997 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -15.887 -14.215 -12.410 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -19.074 -13.893 -10.445 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -17.276 -14.635 -14.233 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -21.289 -13.843 -11.510 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -19.483 -14.581 -15.293 1.00 1.00 H new ATOM 0 HH TYR A 49 -21.646 -14.342 -15.030 1.00 1.00 H new ATOM 753 N LYS A 50 -14.361 -16.112 -9.547 1.00 1.00 N ATOM 754 CA LYS A 50 -12.966 -16.437 -9.405 1.00 1.00 C ATOM 755 C LYS A 50 -12.685 -17.689 -10.237 1.00 1.00 C ATOM 756 O LYS A 50 -13.235 -18.760 -9.975 1.00 1.00 O ATOM 757 CB LYS A 50 -12.626 -16.654 -7.928 1.00 1.00 C ATOM 758 CG LYS A 50 -11.138 -16.794 -7.617 1.00 1.00 C ATOM 759 CD LYS A 50 -10.301 -15.624 -8.161 1.00 1.00 C ATOM 760 CE LYS A 50 -10.790 -14.260 -7.676 1.00 1.00 C ATOM 761 NZ LYS A 50 -10.430 -13.990 -6.273 1.00 1.00 N ATOM 0 H LYS A 50 -14.907 -16.187 -8.689 1.00 1.00 H new ATOM 0 HA LYS A 50 -12.340 -15.620 -9.763 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -13.024 -15.817 -7.354 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -13.139 -17.551 -7.582 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -11.002 -16.860 -6.538 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -10.769 -17.727 -8.043 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -9.262 -15.758 -7.861 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -10.323 -15.645 -9.251 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -10.368 -13.481 -8.311 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -11.873 -14.208 -7.785 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -10.771 -13.046 -6.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -10.868 -14.706 -5.658 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.396 -14.028 -6.166 1.00 1.00 H new ATOM 775 N GLY A 51 -11.854 -17.531 -11.234 1.00 1.00 N ATOM 776 CA GLY A 51 -11.571 -18.594 -12.169 1.00 1.00 C ATOM 777 C GLY A 51 -12.029 -18.199 -13.556 1.00 1.00 C ATOM 778 O GLY A 51 -11.658 -18.815 -14.548 1.00 1.00 O ATOM 0 H GLY A 51 -11.353 -16.663 -11.423 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -10.502 -18.807 -12.177 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -12.076 -19.508 -11.857 1.00 1.00 H new ATOM 782 N VAL A 52 -12.830 -17.156 -13.609 1.00 1.00 N ATOM 783 CA VAL A 52 -13.348 -16.619 -14.848 1.00 1.00 C ATOM 784 C VAL A 52 -12.600 -15.317 -15.172 1.00 1.00 C ATOM 785 O VAL A 52 -12.470 -14.445 -14.305 1.00 1.00 O ATOM 786 CB VAL A 52 -14.878 -16.315 -14.717 1.00 1.00 C ATOM 787 CG1 VAL A 52 -15.466 -15.804 -16.020 1.00 1.00 C ATOM 788 CG2 VAL A 52 -15.637 -17.540 -14.235 1.00 1.00 C ATOM 0 H VAL A 52 -13.144 -16.651 -12.780 1.00 1.00 H new ATOM 0 HA VAL A 52 -13.204 -17.350 -15.643 1.00 1.00 H new ATOM 0 HB VAL A 52 -14.986 -15.525 -13.974 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -16.529 -15.605 -15.886 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -14.959 -14.884 -16.312 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -15.333 -16.555 -16.799 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -16.697 -17.302 -14.153 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -15.502 -18.355 -14.946 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -15.256 -17.843 -13.260 1.00 1.00 H new ATOM 798 N PRO A 53 -12.096 -15.164 -16.409 1.00 1.00 N ATOM 799 CA PRO A 53 -11.358 -13.966 -16.831 1.00 1.00 C ATOM 800 C PRO A 53 -12.250 -12.719 -16.890 1.00 1.00 C ATOM 801 O PRO A 53 -13.488 -12.819 -16.964 1.00 1.00 O ATOM 802 CB PRO A 53 -10.853 -14.337 -18.224 1.00 1.00 C ATOM 803 CG PRO A 53 -11.844 -15.325 -18.710 1.00 1.00 C ATOM 804 CD PRO A 53 -12.204 -16.145 -17.509 1.00 1.00 C ATOM 0 HA PRO A 53 -10.563 -13.707 -16.131 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -10.804 -13.465 -18.877 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -9.850 -14.763 -18.185 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -12.722 -14.830 -19.126 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -11.424 -15.947 -19.500 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -13.209 -16.559 -17.587 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -11.523 -16.985 -17.372 1.00 1.00 H new ATOM 812 N LEU A 54 -11.621 -11.559 -16.889 1.00 1.00 N ATOM 813 CA LEU A 54 -12.308 -10.275 -16.847 1.00 1.00 C ATOM 814 C LEU A 54 -13.206 -10.070 -18.066 1.00 1.00 C ATOM 815 O LEU A 54 -14.293 -9.524 -17.949 1.00 1.00 O ATOM 816 CB LEU A 54 -11.300 -9.124 -16.689 1.00 1.00 C ATOM 817 CG LEU A 54 -11.885 -7.712 -16.505 1.00 1.00 C ATOM 818 CD1 LEU A 54 -12.723 -7.625 -15.231 1.00 1.00 C ATOM 819 CD2 LEU A 54 -10.773 -6.672 -16.485 1.00 1.00 C ATOM 0 H LEU A 54 -10.605 -11.477 -16.918 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.959 -10.276 -15.973 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -10.665 -9.344 -15.831 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -10.656 -9.113 -17.568 1.00 1.00 H new ATOM 0 HG LEU A 54 -12.539 -7.506 -17.352 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -13.123 -6.617 -15.127 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -13.546 -8.338 -15.287 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -12.099 -7.858 -14.368 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -11.205 -5.680 -16.354 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -10.092 -6.883 -15.660 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -10.225 -6.708 -17.426 1.00 1.00 H new ATOM 831 N THR A 55 -12.757 -10.546 -19.211 1.00 1.00 N ATOM 832 CA THR A 55 -13.488 -10.416 -20.461 1.00 1.00 C ATOM 833 C THR A 55 -14.838 -11.162 -20.400 1.00 1.00 C ATOM 834 O THR A 55 -15.806 -10.773 -21.047 1.00 1.00 O ATOM 835 CB THR A 55 -12.629 -10.919 -21.681 1.00 1.00 C ATOM 836 OG1 THR A 55 -13.283 -10.630 -22.935 1.00 1.00 O ATOM 837 CG2 THR A 55 -12.344 -12.418 -21.585 1.00 1.00 C ATOM 0 H THR A 55 -11.868 -11.038 -19.303 1.00 1.00 H new ATOM 0 HA THR A 55 -13.694 -9.356 -20.609 1.00 1.00 H new ATOM 0 HB THR A 55 -11.681 -10.381 -21.645 1.00 1.00 H new ATOM 0 HG1 THR A 55 -12.727 -10.952 -23.675 1.00 1.00 H new ATOM 0 HG21 THR A 55 -11.749 -12.731 -22.443 1.00 1.00 H new ATOM 0 HG22 THR A 55 -11.794 -12.626 -20.667 1.00 1.00 H new ATOM 0 HG23 THR A 55 -13.285 -12.968 -21.576 1.00 1.00 H new ATOM 845 N GLN A 56 -14.893 -12.223 -19.613 1.00 1.00 N ATOM 846 CA GLN A 56 -16.099 -13.012 -19.508 1.00 1.00 C ATOM 847 C GLN A 56 -17.031 -12.463 -18.440 1.00 1.00 C ATOM 848 O GLN A 56 -18.232 -12.707 -18.469 1.00 1.00 O ATOM 849 CB GLN A 56 -15.761 -14.466 -19.232 1.00 1.00 C ATOM 850 CG GLN A 56 -15.065 -15.172 -20.379 1.00 1.00 C ATOM 851 CD GLN A 56 -15.881 -15.173 -21.653 1.00 1.00 C ATOM 852 OE1 GLN A 56 -15.770 -14.275 -22.473 1.00 1.00 O ATOM 853 NE2 GLN A 56 -16.700 -16.166 -21.825 1.00 1.00 N ATOM 0 H GLN A 56 -14.116 -12.554 -19.040 1.00 1.00 H new ATOM 0 HA GLN A 56 -16.621 -12.952 -20.463 1.00 1.00 H new ATOM 0 HB2 GLN A 56 -15.124 -14.518 -18.349 1.00 1.00 H new ATOM 0 HB3 GLN A 56 -16.680 -15.002 -18.995 1.00 1.00 H new ATOM 0 HG2 GLN A 56 -14.106 -14.689 -20.568 1.00 1.00 H new ATOM 0 HG3 GLN A 56 -14.852 -16.201 -20.090 1.00 1.00 H new ATOM 0 HE21 GLN A 56 -16.768 -16.899 -21.119 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -17.276 -16.212 -22.666 1.00 1.00 H new ATOM 862 N ARG A 57 -16.468 -11.729 -17.498 1.00 1.00 N ATOM 863 CA ARG A 57 -17.248 -11.112 -16.443 1.00 1.00 C ATOM 864 C ARG A 57 -18.162 -10.021 -17.030 1.00 1.00 C ATOM 865 O ARG A 57 -17.673 -9.077 -17.666 1.00 1.00 O ATOM 866 CB ARG A 57 -16.318 -10.543 -15.367 1.00 1.00 C ATOM 867 CG ARG A 57 -15.416 -11.598 -14.746 1.00 1.00 C ATOM 868 CD ARG A 57 -14.401 -11.003 -13.784 1.00 1.00 C ATOM 869 NE ARG A 57 -13.451 -12.012 -13.326 1.00 1.00 N ATOM 870 CZ ARG A 57 -12.825 -12.012 -12.137 1.00 1.00 C ATOM 871 NH1 ARG A 57 -13.043 -11.045 -11.247 1.00 1.00 N ATOM 872 NH2 ARG A 57 -11.976 -12.988 -11.844 1.00 1.00 N ATOM 0 H ARG A 57 -15.466 -11.545 -17.443 1.00 1.00 H new ATOM 0 HA ARG A 57 -17.882 -11.865 -15.975 1.00 1.00 H new ATOM 0 HB2 ARG A 57 -15.702 -9.758 -15.805 1.00 1.00 H new ATOM 0 HB3 ARG A 57 -16.918 -10.079 -14.584 1.00 1.00 H new ATOM 0 HG2 ARG A 57 -16.028 -12.329 -14.217 1.00 1.00 H new ATOM 0 HG3 ARG A 57 -14.891 -12.134 -15.537 1.00 1.00 H new ATOM 0 HD2 ARG A 57 -13.864 -10.191 -14.274 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -14.918 -10.572 -12.927 1.00 1.00 H new ATOM 0 HE ARG A 57 -13.245 -12.782 -13.962 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -13.693 -10.290 -11.464 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -12.560 -11.060 -10.349 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -11.802 -13.732 -12.519 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -11.497 -12.994 -10.943 1.00 1.00 H new ATOM 886 N PRO A 58 -19.499 -10.150 -16.831 1.00 1.00 N ATOM 887 CA PRO A 58 -20.495 -9.219 -17.402 1.00 1.00 C ATOM 888 C PRO A 58 -20.306 -7.772 -16.946 1.00 1.00 C ATOM 889 O PRO A 58 -20.034 -7.506 -15.769 1.00 1.00 O ATOM 890 CB PRO A 58 -21.825 -9.743 -16.869 1.00 1.00 C ATOM 891 CG PRO A 58 -21.574 -11.152 -16.472 1.00 1.00 C ATOM 892 CD PRO A 58 -20.144 -11.222 -16.052 1.00 1.00 C ATOM 0 HA PRO A 58 -20.417 -9.191 -18.489 1.00 1.00 H new ATOM 0 HB2 PRO A 58 -22.166 -9.152 -16.019 1.00 1.00 H new ATOM 0 HB3 PRO A 58 -22.602 -9.684 -17.631 1.00 1.00 H new ATOM 0 HG2 PRO A 58 -22.233 -11.449 -15.657 1.00 1.00 H new ATOM 0 HG3 PRO A 58 -21.769 -11.830 -17.303 1.00 1.00 H new ATOM 0 HD2 PRO A 58 -20.033 -11.060 -14.980 1.00 1.00 H new ATOM 0 HD3 PRO A 58 -19.708 -12.196 -16.274 1.00 1.00 H new ATOM 900 N ASP A 59 -20.503 -6.852 -17.868 1.00 1.00 N ATOM 901 CA ASP A 59 -20.294 -5.417 -17.633 1.00 1.00 C ATOM 902 C ASP A 59 -21.556 -4.755 -17.110 1.00 1.00 C ATOM 903 O ASP A 59 -22.654 -5.225 -17.373 1.00 1.00 O ATOM 904 CB ASP A 59 -19.889 -4.717 -18.935 1.00 1.00 C ATOM 905 CG ASP A 59 -18.621 -5.241 -19.520 1.00 1.00 C ATOM 906 OD1 ASP A 59 -17.569 -5.064 -18.911 1.00 1.00 O ATOM 907 OD2 ASP A 59 -18.667 -5.836 -20.610 1.00 1.00 O ATOM 0 H ASP A 59 -20.816 -7.070 -18.814 1.00 1.00 H new ATOM 0 HA ASP A 59 -19.502 -5.323 -16.890 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -20.691 -4.830 -19.664 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -19.779 -3.649 -18.746 1.00 1.00 H new ATOM 912 N PRO A 60 -21.426 -3.629 -16.379 1.00 1.00 N ATOM 913 CA PRO A 60 -22.576 -2.899 -15.861 1.00 1.00 C ATOM 914 C PRO A 60 -23.222 -1.979 -16.914 1.00 1.00 C ATOM 915 O PRO A 60 -24.173 -1.257 -16.628 1.00 1.00 O ATOM 916 CB PRO A 60 -22.003 -2.094 -14.698 1.00 1.00 C ATOM 917 CG PRO A 60 -20.567 -1.875 -15.042 1.00 1.00 C ATOM 918 CD PRO A 60 -20.148 -2.988 -15.980 1.00 1.00 C ATOM 0 HA PRO A 60 -23.380 -3.572 -15.562 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -22.528 -1.146 -14.579 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -22.104 -2.635 -13.757 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -20.430 -0.903 -15.516 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -19.952 -1.880 -14.142 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -19.611 -2.599 -16.845 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -19.484 -3.697 -15.485 1.00 1.00 H new ATOM 926 N ARG A 61 -22.707 -1.999 -18.115 1.00 1.00 N ATOM 927 CA ARG A 61 -23.280 -1.193 -19.177 1.00 1.00 C ATOM 928 C ARG A 61 -24.301 -1.990 -20.002 1.00 1.00 C ATOM 929 O ARG A 61 -24.978 -1.441 -20.855 1.00 1.00 O ATOM 930 CB ARG A 61 -22.180 -0.603 -20.041 1.00 1.00 C ATOM 931 CG ARG A 61 -21.303 -1.635 -20.696 1.00 1.00 C ATOM 932 CD ARG A 61 -20.035 -1.018 -21.214 1.00 1.00 C ATOM 933 NE ARG A 61 -19.190 -0.489 -20.126 1.00 1.00 N ATOM 934 CZ ARG A 61 -17.864 -0.659 -20.045 1.00 1.00 C ATOM 935 NH1 ARG A 61 -17.207 -1.309 -21.008 1.00 1.00 N ATOM 936 NH2 ARG A 61 -17.198 -0.144 -19.032 1.00 1.00 N ATOM 0 H ARG A 61 -21.898 -2.558 -18.388 1.00 1.00 H new ATOM 0 HA ARG A 61 -23.828 -0.366 -18.725 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -22.632 0.019 -20.813 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -21.560 0.051 -19.427 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -21.062 -2.420 -19.979 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -21.843 -2.107 -21.517 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -19.474 -1.763 -21.778 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -20.281 -0.212 -21.906 1.00 1.00 H new ATOM 0 HE ARG A 61 -19.647 0.042 -19.385 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -17.715 -1.679 -21.811 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -16.197 -1.435 -20.941 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -17.692 0.383 -18.312 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -16.188 -0.272 -18.968 1.00 1.00 H new ATOM 950 N THR A 62 -24.392 -3.281 -19.729 1.00 1.00 N ATOM 951 CA THR A 62 -25.364 -4.152 -20.402 1.00 1.00 C ATOM 952 C THR A 62 -26.325 -4.747 -19.380 1.00 1.00 C ATOM 953 O THR A 62 -27.357 -5.321 -19.716 1.00 1.00 O ATOM 954 CB THR A 62 -24.656 -5.266 -21.230 1.00 1.00 C ATOM 955 OG1 THR A 62 -25.601 -6.167 -21.828 1.00 1.00 O ATOM 956 CG2 THR A 62 -23.639 -6.038 -20.399 1.00 1.00 C ATOM 0 H THR A 62 -23.806 -3.758 -19.044 1.00 1.00 H new ATOM 0 HA THR A 62 -25.936 -3.548 -21.106 1.00 1.00 H new ATOM 0 HB THR A 62 -24.117 -4.758 -22.030 1.00 1.00 H new ATOM 0 HG1 THR A 62 -26.442 -6.140 -21.325 1.00 1.00 H new ATOM 0 HG21 THR A 62 -23.170 -6.804 -21.017 1.00 1.00 H new ATOM 0 HG22 THR A 62 -22.876 -5.353 -20.029 1.00 1.00 H new ATOM 0 HG23 THR A 62 -24.142 -6.510 -19.555 1.00 1.00 H new ATOM 964 N LEU A 63 -25.965 -4.610 -18.142 1.00 1.00 N ATOM 965 CA LEU A 63 -26.790 -4.994 -17.059 1.00 1.00 C ATOM 966 C LEU A 63 -26.621 -3.954 -16.006 1.00 1.00 C ATOM 967 O LEU A 63 -25.550 -3.416 -15.869 1.00 1.00 O ATOM 968 CB LEU A 63 -26.471 -6.427 -16.547 1.00 1.00 C ATOM 969 CG LEU A 63 -25.103 -6.698 -15.900 1.00 1.00 C ATOM 970 CD1 LEU A 63 -25.057 -6.227 -14.456 1.00 1.00 C ATOM 971 CD2 LEU A 63 -24.794 -8.169 -15.971 1.00 1.00 C ATOM 0 H LEU A 63 -25.067 -4.218 -17.859 1.00 1.00 H new ATOM 0 HA LEU A 63 -27.833 -5.049 -17.372 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -27.238 -6.696 -15.821 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -26.578 -7.109 -17.390 1.00 1.00 H new ATOM 0 HG LEU A 63 -24.352 -6.134 -16.453 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -24.073 -6.437 -14.036 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -25.247 -5.154 -14.417 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -25.818 -6.751 -13.878 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -23.824 -8.360 -15.512 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -25.563 -8.729 -15.439 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -24.771 -8.486 -17.014 1.00 1.00 H new ATOM 983 N ASP A 64 -27.613 -3.696 -15.262 1.00 1.00 N ATOM 984 CA ASP A 64 -27.550 -2.621 -14.312 1.00 1.00 C ATOM 985 C ASP A 64 -27.339 -3.175 -12.956 1.00 1.00 C ATOM 986 O ASP A 64 -27.680 -4.321 -12.692 1.00 1.00 O ATOM 987 CB ASP A 64 -28.852 -1.824 -14.308 1.00 1.00 C ATOM 988 CG ASP A 64 -29.197 -1.229 -15.640 1.00 1.00 C ATOM 989 OD1 ASP A 64 -28.623 -0.186 -16.012 1.00 1.00 O ATOM 990 OD2 ASP A 64 -30.039 -1.806 -16.342 1.00 1.00 O ATOM 0 H ASP A 64 -28.496 -4.207 -15.277 1.00 1.00 H new ATOM 0 HA ASP A 64 -26.726 -1.965 -14.593 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -29.666 -2.475 -13.989 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -28.776 -1.024 -13.571 1.00 1.00 H new ATOM 995 N VAL A 65 -26.766 -2.408 -12.104 1.00 1.00 N ATOM 996 CA VAL A 65 -26.653 -2.815 -10.756 1.00 1.00 C ATOM 997 C VAL A 65 -27.478 -1.862 -9.905 1.00 1.00 C ATOM 998 O VAL A 65 -27.177 -0.673 -9.798 1.00 1.00 O ATOM 999 CB VAL A 65 -25.168 -2.956 -10.264 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -24.341 -1.727 -10.567 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -25.108 -3.289 -8.787 1.00 1.00 C ATOM 0 H VAL A 65 -26.368 -1.494 -12.318 1.00 1.00 H new ATOM 0 HA VAL A 65 -27.049 -3.826 -10.656 1.00 1.00 H new ATOM 0 HB VAL A 65 -24.733 -3.784 -10.823 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -23.323 -1.876 -10.207 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.324 -1.556 -11.643 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -24.779 -0.862 -10.069 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -24.067 -3.380 -8.477 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -25.589 -2.495 -8.215 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -25.625 -4.231 -8.605 1.00 1.00 H new ATOM 1011 N GLU A 66 -28.528 -2.368 -9.335 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.392 -1.546 -8.573 1.00 1.00 C ATOM 1013 C GLU A 66 -28.976 -1.542 -7.146 1.00 1.00 C ATOM 1014 O GLU A 66 -28.889 -2.578 -6.496 1.00 1.00 O ATOM 1015 CB GLU A 66 -30.859 -1.945 -8.707 1.00 1.00 C ATOM 1016 CG GLU A 66 -31.779 -1.069 -7.867 1.00 1.00 C ATOM 1017 CD GLU A 66 -33.226 -1.385 -8.028 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -33.662 -2.440 -7.571 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -33.968 -0.539 -8.573 1.00 1.00 O ATOM 0 H GLU A 66 -28.801 -3.349 -9.388 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.307 -0.536 -8.974 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -31.156 -1.880 -9.754 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -30.978 -2.986 -8.406 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -31.508 -1.177 -6.817 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.613 -0.025 -8.133 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.716 -0.392 -6.677 1.00 1.00 N ATOM 1027 CA TRP A 67 -28.333 -0.194 -5.330 1.00 1.00 C ATOM 1028 C TRP A 67 -29.563 -0.145 -4.482 1.00 1.00 C ATOM 1029 O TRP A 67 -30.385 0.736 -4.643 1.00 1.00 O ATOM 1030 CB TRP A 67 -27.567 1.114 -5.210 1.00 1.00 C ATOM 1031 CG TRP A 67 -27.333 1.554 -3.798 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -26.905 0.784 -2.767 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -27.518 2.875 -3.266 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -26.838 1.525 -1.630 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -27.196 2.819 -1.909 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -27.924 4.094 -3.809 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -27.263 3.930 -1.079 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -27.991 5.199 -2.983 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -27.661 5.108 -1.633 1.00 1.00 C ATOM 0 H TRP A 67 -28.762 0.466 -7.227 1.00 1.00 H new ATOM 0 HA TRP A 67 -27.693 -1.011 -4.998 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -26.605 1.007 -5.711 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -28.116 1.895 -5.737 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -26.654 -0.264 -2.839 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -26.564 1.174 -0.712 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -28.181 4.172 -4.855 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -27.009 3.862 -0.032 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -28.304 6.149 -3.391 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -27.722 5.990 -1.013 1.00 1.00 H new ATOM 1050 N ARG A 68 -29.689 -1.077 -3.594 1.00 1.00 N ATOM 1051 CA ARG A 68 -30.813 -1.128 -2.732 1.00 1.00 C ATOM 1052 C ARG A 68 -30.350 -1.104 -1.311 1.00 1.00 C ATOM 1053 O ARG A 68 -30.050 -2.139 -0.728 1.00 1.00 O ATOM 1054 CB ARG A 68 -31.686 -2.367 -2.993 1.00 1.00 C ATOM 1055 CG ARG A 68 -32.355 -2.380 -4.355 1.00 1.00 C ATOM 1056 CD ARG A 68 -33.325 -3.532 -4.499 1.00 1.00 C ATOM 1057 NE ARG A 68 -32.663 -4.829 -4.602 1.00 1.00 N ATOM 1058 CZ ARG A 68 -32.834 -5.845 -3.745 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -33.566 -5.674 -2.641 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -32.267 -7.023 -3.986 1.00 1.00 N ATOM 0 H ARG A 68 -29.010 -1.825 -3.450 1.00 1.00 H new ATOM 0 HA ARG A 68 -31.433 -0.254 -2.932 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -31.069 -3.260 -2.895 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -32.455 -2.425 -2.222 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -32.884 -1.439 -4.508 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -31.594 -2.448 -5.132 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -33.998 -3.542 -3.642 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -33.939 -3.373 -5.385 1.00 1.00 H new ATOM 0 HE ARG A 68 -32.023 -4.972 -5.384 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -33.996 -4.769 -2.449 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -33.695 -6.448 -1.990 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -31.701 -7.155 -4.824 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -32.398 -7.795 -3.333 1.00 1.00 H new ATOM 1074 N SER A 69 -30.237 0.077 -0.770 1.00 1.00 N ATOM 1075 CA SER A 69 -29.893 0.224 0.618 1.00 1.00 C ATOM 1076 C SER A 69 -31.163 0.197 1.425 1.00 1.00 C ATOM 1077 O SER A 69 -31.160 -0.043 2.635 1.00 1.00 O ATOM 1078 CB SER A 69 -29.164 1.543 0.831 1.00 1.00 C ATOM 1079 OG SER A 69 -29.896 2.624 0.251 1.00 1.00 O ATOM 0 H SER A 69 -30.378 0.955 -1.270 1.00 1.00 H new ATOM 0 HA SER A 69 -29.236 -0.587 0.932 1.00 1.00 H new ATOM 0 HB2 SER A 69 -29.028 1.721 1.898 1.00 1.00 H new ATOM 0 HB3 SER A 69 -28.170 1.491 0.387 1.00 1.00 H new ATOM 0 HG SER A 69 -29.297 3.163 -0.307 1.00 1.00 H new ATOM 1085 N GLY A 70 -32.253 0.478 0.730 1.00 1.00 N ATOM 1086 CA GLY A 70 -33.572 0.493 1.328 1.00 1.00 C ATOM 1087 C GLY A 70 -33.819 1.768 2.103 1.00 1.00 C ATOM 1088 O GLY A 70 -34.783 2.485 1.843 1.00 1.00 O ATOM 0 H GLY A 70 -32.245 0.702 -0.265 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -34.327 0.389 0.548 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -33.680 -0.364 1.993 1.00 1.00 H new ATOM 1092 N VAL A 71 -32.922 2.051 3.021 1.00 1.00 N ATOM 1093 CA VAL A 71 -32.982 3.218 3.869 1.00 1.00 C ATOM 1094 C VAL A 71 -32.873 4.515 3.051 1.00 1.00 C ATOM 1095 O VAL A 71 -33.568 5.493 3.320 1.00 1.00 O ATOM 1096 CB VAL A 71 -31.886 3.173 4.983 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -32.137 2.004 5.919 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -30.479 3.064 4.387 1.00 1.00 C ATOM 0 H VAL A 71 -32.110 1.460 3.202 1.00 1.00 H new ATOM 0 HA VAL A 71 -33.957 3.210 4.357 1.00 1.00 H new ATOM 0 HB VAL A 71 -31.946 4.107 5.541 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -31.367 1.984 6.690 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -33.116 2.115 6.386 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -32.109 1.073 5.354 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -29.744 3.035 5.192 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -30.404 2.152 3.795 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -30.286 3.927 3.750 1.00 1.00 H new ATOM 1108 N ALA A 72 -32.001 4.514 2.054 1.00 1.00 N ATOM 1109 CA ALA A 72 -31.845 5.672 1.200 1.00 1.00 C ATOM 1110 C ALA A 72 -32.639 5.502 -0.085 1.00 1.00 C ATOM 1111 O ALA A 72 -32.873 6.468 -0.816 1.00 1.00 O ATOM 1112 CB ALA A 72 -30.377 5.919 0.896 1.00 1.00 C ATOM 0 H ALA A 72 -31.396 3.727 1.821 1.00 1.00 H new ATOM 0 HA ALA A 72 -32.235 6.542 1.729 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -30.281 6.794 0.253 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -29.837 6.092 1.827 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -29.959 5.049 0.390 1.00 1.00 H new ATOM 1118 N GLY A 73 -33.054 4.276 -0.352 1.00 1.00 N ATOM 1119 CA GLY A 73 -33.813 3.984 -1.524 1.00 1.00 C ATOM 1120 C GLY A 73 -33.116 2.969 -2.394 1.00 1.00 C ATOM 1121 O GLY A 73 -32.248 2.203 -1.915 1.00 1.00 O ATOM 0 H GLY A 73 -32.868 3.469 0.243 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -34.795 3.607 -1.238 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -33.976 4.900 -2.091 1.00 1.00 H new ATOM 1125 N HIS A 74 -33.483 2.957 -3.648 1.00 1.00 N ATOM 1126 CA HIS A 74 -32.898 2.071 -4.638 1.00 1.00 C ATOM 1127 C HIS A 74 -32.618 2.817 -5.935 1.00 1.00 C ATOM 1128 O HIS A 74 -33.530 3.349 -6.564 1.00 1.00 O ATOM 1129 CB HIS A 74 -33.756 0.796 -4.881 1.00 1.00 C ATOM 1130 CG HIS A 74 -35.130 1.009 -5.465 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -35.506 0.541 -6.704 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -36.215 1.627 -4.965 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -36.750 0.865 -6.935 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -37.207 1.523 -5.900 1.00 1.00 N ATOM 0 H HIS A 74 -34.207 3.569 -4.023 1.00 1.00 H new ATOM 0 HA HIS A 74 -31.946 1.724 -4.235 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -33.202 0.134 -5.546 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -33.867 0.273 -3.931 1.00 1.00 H new ATOM 0 HD1 HIS A 74 -34.905 0.021 -7.343 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -36.289 2.114 -4.004 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -37.308 0.630 -7.829 1.00 1.00 H new ATOM 1143 N LEU A 75 -31.369 2.836 -6.338 1.00 1.00 N ATOM 1144 CA LEU A 75 -30.952 3.595 -7.488 1.00 1.00 C ATOM 1145 C LEU A 75 -30.195 2.722 -8.445 1.00 1.00 C ATOM 1146 O LEU A 75 -29.540 1.774 -8.033 1.00 1.00 O ATOM 1147 CB LEU A 75 -30.081 4.771 -7.052 1.00 1.00 C ATOM 1148 CG LEU A 75 -30.771 5.861 -6.216 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -29.782 6.923 -5.789 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -31.929 6.487 -6.983 1.00 1.00 C ATOM 0 H LEU A 75 -30.616 2.326 -5.877 1.00 1.00 H new ATOM 0 HA LEU A 75 -31.839 3.978 -7.992 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -29.242 4.380 -6.477 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -29.665 5.238 -7.945 1.00 1.00 H new ATOM 0 HG LEU A 75 -31.172 5.388 -5.320 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -30.295 7.682 -5.199 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -28.995 6.467 -5.188 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -29.342 7.386 -6.672 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -32.400 7.255 -6.369 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -31.555 6.937 -7.903 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -32.662 5.718 -7.227 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.297 3.019 -9.707 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.595 2.274 -10.715 1.00 1.00 C ATOM 1164 C ILE A 76 -28.183 2.810 -10.875 1.00 1.00 C ATOM 1165 O ILE A 76 -27.985 3.968 -11.240 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.336 2.349 -12.078 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -31.787 1.872 -11.922 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -29.612 1.540 -13.136 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -31.918 0.554 -11.209 1.00 1.00 C ATOM 0 H ILE A 76 -30.868 3.783 -10.068 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.554 1.232 -10.397 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.347 3.389 -12.406 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.352 2.628 -11.376 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.240 1.787 -12.910 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.152 1.610 -14.080 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -28.603 1.931 -13.265 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -29.560 0.497 -12.824 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -32.971 0.283 -11.137 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.382 -0.215 -11.765 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.496 0.638 -10.208 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.222 1.974 -10.581 1.00 1.00 N ATOM 1182 CA LEU A 77 -25.833 2.317 -10.700 1.00 1.00 C ATOM 1183 C LEU A 77 -25.207 1.631 -11.895 1.00 1.00 C ATOM 1184 O LEU A 77 -25.620 0.534 -12.291 1.00 1.00 O ATOM 1185 CB LEU A 77 -25.059 1.909 -9.445 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.073 2.873 -8.264 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.473 3.094 -7.748 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.182 2.347 -7.165 1.00 1.00 C ATOM 0 H LEU A 77 -27.386 1.024 -10.248 1.00 1.00 H new ATOM 0 HA LEU A 77 -25.779 3.398 -10.828 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.454 0.952 -9.103 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -24.020 1.742 -9.730 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.694 3.836 -8.605 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.446 3.786 -6.906 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.092 3.512 -8.542 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -26.895 2.143 -7.422 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.195 3.039 -6.323 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.544 1.372 -6.839 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.163 2.249 -7.538 1.00 1.00 H new ATOM 1200 N SER A 78 -24.246 2.286 -12.471 1.00 1.00 N ATOM 1201 CA SER A 78 -23.474 1.756 -13.555 1.00 1.00 C ATOM 1202 C SER A 78 -22.243 2.578 -13.709 1.00 1.00 C ATOM 1203 O SER A 78 -22.168 3.697 -13.200 1.00 1.00 O ATOM 1204 CB SER A 78 -24.248 1.764 -14.859 1.00 1.00 C ATOM 1205 OG SER A 78 -23.511 1.145 -15.895 1.00 1.00 O ATOM 0 H SER A 78 -23.969 3.228 -12.194 1.00 1.00 H new ATOM 0 HA SER A 78 -23.226 0.720 -13.324 1.00 1.00 H new ATOM 0 HB2 SER A 78 -25.197 1.246 -14.725 1.00 1.00 H new ATOM 0 HB3 SER A 78 -24.483 2.791 -15.139 1.00 1.00 H new ATOM 0 HG SER A 78 -24.003 0.365 -16.226 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.276 2.030 -14.388 1.00 1.00 N ATOM 1212 CA ASP A 79 -20.058 2.725 -14.667 1.00 1.00 C ATOM 1213 C ASP A 79 -20.352 3.796 -15.683 1.00 1.00 C ATOM 1214 O ASP A 79 -19.743 4.858 -15.687 1.00 1.00 O ATOM 1215 CB ASP A 79 -18.997 1.750 -15.162 1.00 1.00 C ATOM 1216 CG ASP A 79 -19.166 1.297 -16.605 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -20.143 0.601 -16.909 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -18.302 1.607 -17.430 1.00 1.00 O ATOM 0 H ASP A 79 -21.313 1.083 -14.765 1.00 1.00 H new ATOM 0 HA ASP A 79 -19.664 3.190 -13.763 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -18.018 2.217 -15.055 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -19.003 0.871 -14.517 1.00 1.00 H new ATOM 1223 N GLU A 80 -21.322 3.507 -16.501 1.00 1.00 N ATOM 1224 CA GLU A 80 -21.785 4.378 -17.507 1.00 1.00 C ATOM 1225 C GLU A 80 -23.326 4.256 -17.506 1.00 1.00 C ATOM 1226 O GLU A 80 -23.890 3.471 -18.237 1.00 1.00 O ATOM 1227 CB GLU A 80 -21.159 3.938 -18.861 1.00 1.00 C ATOM 1228 CG GLU A 80 -21.292 4.939 -19.987 1.00 1.00 C ATOM 1229 CD GLU A 80 -20.581 4.524 -21.258 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -21.153 3.766 -22.062 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -19.442 4.973 -21.479 1.00 1.00 O ATOM 0 H GLU A 80 -21.823 2.619 -16.473 1.00 1.00 H new ATOM 0 HA GLU A 80 -21.503 5.418 -17.342 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -20.101 3.731 -18.703 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -21.624 3.002 -19.171 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -22.349 5.089 -20.205 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -20.896 5.899 -19.656 1.00 1.00 H new ATOM 1238 N ASP A 81 -23.989 4.991 -16.610 1.00 1.00 N ATOM 1239 CA ASP A 81 -25.454 4.887 -16.482 1.00 1.00 C ATOM 1240 C ASP A 81 -26.155 6.015 -17.131 1.00 1.00 C ATOM 1241 O ASP A 81 -26.528 5.954 -18.299 1.00 1.00 O ATOM 1242 CB ASP A 81 -25.971 4.764 -15.007 1.00 1.00 C ATOM 1243 CG ASP A 81 -25.243 5.600 -13.955 1.00 1.00 C ATOM 1244 OD1 ASP A 81 -24.876 6.765 -14.256 1.00 1.00 O ATOM 1245 OD2 ASP A 81 -25.059 5.119 -12.815 1.00 1.00 O ATOM 0 H ASP A 81 -23.550 5.654 -15.971 1.00 1.00 H new ATOM 0 HA ASP A 81 -25.688 3.954 -16.995 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -27.025 5.040 -14.991 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -25.911 3.717 -14.711 1.00 1.00 H new ATOM 1250 N VAL A 82 -26.345 7.025 -16.374 1.00 1.00 N ATOM 1251 CA VAL A 82 -27.031 8.176 -16.761 1.00 1.00 C ATOM 1252 C VAL A 82 -26.006 9.250 -17.073 1.00 1.00 C ATOM 1253 O VAL A 82 -26.283 10.236 -17.758 1.00 1.00 O ATOM 1254 CB VAL A 82 -27.992 8.599 -15.629 1.00 1.00 C ATOM 1255 CG1 VAL A 82 -27.284 9.283 -14.475 1.00 1.00 C ATOM 1256 CG2 VAL A 82 -29.092 9.425 -16.162 1.00 1.00 C ATOM 0 H VAL A 82 -26.003 7.065 -15.414 1.00 1.00 H new ATOM 0 HA VAL A 82 -27.634 8.003 -17.652 1.00 1.00 H new ATOM 0 HB VAL A 82 -28.418 7.685 -15.215 1.00 1.00 H new ATOM 0 HG11 VAL A 82 -28.013 9.556 -13.712 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -26.547 8.604 -14.047 1.00 1.00 H new ATOM 0 HG13 VAL A 82 -26.783 10.181 -14.836 1.00 1.00 H new ATOM 0 HG21 VAL A 82 -29.758 9.713 -15.349 1.00 1.00 H new ATOM 0 HG22 VAL A 82 -28.681 10.320 -16.629 1.00 1.00 H new ATOM 0 HG23 VAL A 82 -29.650 8.853 -16.903 1.00 1.00 H new ATOM 1266 N THR A 83 -24.790 9.006 -16.598 1.00 1.00 N ATOM 1267 CA THR A 83 -23.676 9.878 -16.837 1.00 1.00 C ATOM 1268 C THR A 83 -23.049 9.507 -18.172 1.00 1.00 C ATOM 1269 O THR A 83 -22.108 10.126 -18.635 1.00 1.00 O ATOM 1270 CB THR A 83 -22.621 9.696 -15.731 1.00 1.00 C ATOM 1271 OG1 THR A 83 -22.409 8.276 -15.500 1.00 1.00 O ATOM 1272 CG2 THR A 83 -23.072 10.357 -14.440 1.00 1.00 C ATOM 0 H THR A 83 -24.561 8.188 -16.033 1.00 1.00 H new ATOM 0 HA THR A 83 -24.019 10.913 -16.845 1.00 1.00 H new ATOM 0 HB THR A 83 -21.692 10.166 -16.053 1.00 1.00 H new ATOM 0 HG1 THR A 83 -21.451 8.103 -15.385 1.00 1.00 H new ATOM 0 HG21 THR A 83 -22.310 10.215 -13.673 1.00 1.00 H new ATOM 0 HG22 THR A 83 -23.222 11.423 -14.610 1.00 1.00 H new ATOM 0 HG23 THR A 83 -24.008 9.908 -14.109 1.00 1.00 H new ATOM 1280 N SER A 84 -23.603 8.468 -18.761 1.00 1.00 N ATOM 1281 CA SER A 84 -23.174 7.924 -20.029 1.00 1.00 C ATOM 1282 C SER A 84 -23.261 8.941 -21.158 1.00 1.00 C ATOM 1283 O SER A 84 -22.436 8.950 -22.085 1.00 1.00 O ATOM 1284 CB SER A 84 -24.030 6.713 -20.332 1.00 1.00 C ATOM 1285 OG SER A 84 -25.405 7.080 -20.383 1.00 1.00 O ATOM 0 H SER A 84 -24.391 7.963 -18.355 1.00 1.00 H new ATOM 0 HA SER A 84 -22.123 7.644 -19.955 1.00 1.00 H new ATOM 0 HB2 SER A 84 -23.728 6.275 -21.283 1.00 1.00 H new ATOM 0 HB3 SER A 84 -23.878 5.951 -19.567 1.00 1.00 H new ATOM 0 HG SER A 84 -25.920 6.505 -19.779 1.00 1.00 H new ATOM 1291 N GLU A 85 -24.241 9.767 -21.072 1.00 1.00 N ATOM 1292 CA GLU A 85 -24.474 10.792 -22.050 1.00 1.00 C ATOM 1293 C GLU A 85 -23.485 11.906 -21.843 1.00 1.00 C ATOM 1294 O GLU A 85 -23.364 12.440 -20.739 1.00 1.00 O ATOM 1295 CB GLU A 85 -25.899 11.298 -21.956 1.00 1.00 C ATOM 1296 CG GLU A 85 -26.922 10.209 -22.204 1.00 1.00 C ATOM 1297 CD GLU A 85 -28.316 10.728 -22.189 1.00 1.00 C ATOM 1298 OE1 GLU A 85 -28.911 10.814 -21.096 1.00 1.00 O ATOM 1299 OE2 GLU A 85 -28.842 11.051 -23.275 1.00 1.00 O ATOM 0 H GLU A 85 -24.920 9.757 -20.311 1.00 1.00 H new ATOM 0 HA GLU A 85 -24.337 10.382 -23.051 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -26.064 11.728 -20.968 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -26.044 12.100 -22.680 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -26.722 9.739 -23.167 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -26.817 9.435 -21.444 1.00 1.00 H new ATOM 1306 N VAL A 86 -22.767 12.249 -22.880 1.00 1.00 N ATOM 1307 CA VAL A 86 -21.739 13.202 -22.757 1.00 1.00 C ATOM 1308 C VAL A 86 -21.525 13.946 -24.052 1.00 1.00 C ATOM 1309 O VAL A 86 -21.322 13.355 -25.105 1.00 1.00 O ATOM 1310 CB VAL A 86 -20.418 12.527 -22.294 1.00 1.00 C ATOM 1311 CG1 VAL A 86 -20.054 11.324 -23.160 1.00 1.00 C ATOM 1312 CG2 VAL A 86 -19.267 13.513 -22.229 1.00 1.00 C ATOM 0 H VAL A 86 -22.890 11.869 -23.819 1.00 1.00 H new ATOM 0 HA VAL A 86 -22.044 13.925 -22.000 1.00 1.00 H new ATOM 0 HB VAL A 86 -20.599 12.163 -21.283 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -19.124 10.884 -22.800 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -20.851 10.582 -23.106 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -19.927 11.645 -24.194 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -18.364 12.997 -21.901 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -19.100 13.943 -23.216 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -19.508 14.308 -21.523 1.00 1.00 H new ATOM 1322 N GLN A 87 -21.611 15.222 -23.967 1.00 1.00 N ATOM 1323 CA GLN A 87 -21.277 16.076 -25.086 1.00 1.00 C ATOM 1324 C GLN A 87 -19.918 16.673 -24.854 1.00 1.00 C ATOM 1325 O GLN A 87 -19.170 16.938 -25.792 1.00 1.00 O ATOM 1326 CB GLN A 87 -22.340 17.185 -25.325 1.00 1.00 C ATOM 1327 CG GLN A 87 -22.582 18.151 -24.155 1.00 1.00 C ATOM 1328 CD GLN A 87 -21.562 19.268 -24.012 1.00 1.00 C ATOM 1329 OE1 GLN A 87 -20.985 19.735 -24.994 1.00 1.00 O ATOM 1330 NE2 GLN A 87 -21.351 19.712 -22.792 1.00 1.00 N ATOM 0 H GLN A 87 -21.912 15.720 -23.129 1.00 1.00 H new ATOM 0 HA GLN A 87 -21.265 15.468 -25.991 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -22.038 17.768 -26.195 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -23.286 16.705 -25.576 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -23.570 18.597 -24.272 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -22.599 17.576 -23.229 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -21.850 19.297 -22.005 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -20.688 20.471 -22.633 1.00 1.00 H new ATOM 1339 N GLY A 88 -19.582 16.863 -23.590 1.00 1.00 N ATOM 1340 CA GLY A 88 -18.364 17.485 -23.273 1.00 1.00 C ATOM 1341 C GLY A 88 -17.516 16.608 -22.399 1.00 1.00 C ATOM 1342 O GLY A 88 -16.850 15.697 -22.877 1.00 1.00 O ATOM 0 H GLY A 88 -20.150 16.588 -22.789 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -17.824 17.720 -24.190 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -18.557 18.430 -22.766 1.00 1.00 H new ATOM 1346 N LEU A 89 -17.569 16.852 -21.112 1.00 1.00 N ATOM 1347 CA LEU A 89 -16.790 16.076 -20.164 1.00 1.00 C ATOM 1348 C LEU A 89 -17.659 15.374 -19.128 1.00 1.00 C ATOM 1349 O LEU A 89 -17.146 14.771 -18.204 1.00 1.00 O ATOM 1350 CB LEU A 89 -15.735 16.967 -19.471 1.00 1.00 C ATOM 1351 CG LEU A 89 -16.193 18.356 -18.927 1.00 1.00 C ATOM 1352 CD1 LEU A 89 -17.214 18.238 -17.794 1.00 1.00 C ATOM 1353 CD2 LEU A 89 -14.995 19.168 -18.474 1.00 1.00 C ATOM 0 H LEU A 89 -18.143 17.583 -20.691 1.00 1.00 H new ATOM 0 HA LEU A 89 -16.282 15.297 -20.733 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -15.317 16.403 -18.637 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -14.924 17.137 -20.179 1.00 1.00 H new ATOM 0 HG LEU A 89 -16.689 18.871 -19.750 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -17.497 19.234 -17.454 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -18.098 17.713 -18.154 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -16.775 17.683 -16.965 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -15.332 20.134 -18.097 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -14.471 18.633 -17.682 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -14.320 19.322 -19.316 1.00 1.00 H new ATOM 1365 N PHE A 90 -18.962 15.447 -19.300 1.00 1.00 N ATOM 1366 CA PHE A 90 -19.901 14.964 -18.285 1.00 1.00 C ATOM 1367 C PHE A 90 -19.837 13.477 -17.985 1.00 1.00 C ATOM 1368 O PHE A 90 -20.146 13.063 -16.861 1.00 1.00 O ATOM 1369 CB PHE A 90 -21.301 15.443 -18.542 1.00 1.00 C ATOM 1370 CG PHE A 90 -21.474 16.872 -18.155 1.00 1.00 C ATOM 1371 CD1 PHE A 90 -21.758 17.191 -16.851 1.00 1.00 C ATOM 1372 CD2 PHE A 90 -21.335 17.891 -19.078 1.00 1.00 C ATOM 1373 CE1 PHE A 90 -21.908 18.505 -16.455 1.00 1.00 C ATOM 1374 CE2 PHE A 90 -21.481 19.209 -18.696 1.00 1.00 C ATOM 1375 CZ PHE A 90 -21.769 19.516 -17.381 1.00 1.00 C ATOM 0 H PHE A 90 -19.405 15.836 -20.132 1.00 1.00 H new ATOM 0 HA PHE A 90 -19.555 15.423 -17.359 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -21.539 15.321 -19.599 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -22.005 14.827 -17.983 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -21.866 16.401 -16.122 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -21.110 17.654 -20.107 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -22.133 18.739 -15.425 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -21.370 19.999 -19.424 1.00 1.00 H new ATOM 0 HZ PHE A 90 -21.885 20.546 -17.079 1.00 1.00 H new ATOM 1385 N ARG A 91 -19.467 12.675 -18.960 1.00 1.00 N ATOM 1386 CA ARG A 91 -19.342 11.256 -18.710 1.00 1.00 C ATOM 1387 C ARG A 91 -18.225 10.984 -17.742 1.00 1.00 C ATOM 1388 O ARG A 91 -17.053 11.311 -17.998 1.00 1.00 O ATOM 1389 CB ARG A 91 -19.177 10.416 -19.982 1.00 1.00 C ATOM 1390 CG ARG A 91 -18.999 8.924 -19.716 1.00 1.00 C ATOM 1391 CD ARG A 91 -19.096 8.095 -20.989 1.00 1.00 C ATOM 1392 NE ARG A 91 -18.070 8.441 -21.976 1.00 1.00 N ATOM 1393 CZ ARG A 91 -17.874 7.793 -23.137 1.00 1.00 C ATOM 1394 NH1 ARG A 91 -18.487 6.636 -23.376 1.00 1.00 N ATOM 1395 NH2 ARG A 91 -17.019 8.278 -24.025 1.00 1.00 N ATOM 0 H ARG A 91 -19.252 12.972 -19.912 1.00 1.00 H new ATOM 0 HA ARG A 91 -20.288 10.944 -18.267 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -20.051 10.561 -20.618 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -18.314 10.782 -20.538 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -18.030 8.754 -19.247 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -19.758 8.590 -19.009 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -19.007 7.039 -20.736 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -20.082 8.235 -21.433 1.00 1.00 H new ATOM 0 HE ARG A 91 -17.460 9.231 -21.767 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -19.111 6.235 -22.676 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -18.333 6.150 -24.260 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -16.512 9.141 -23.827 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -16.868 7.789 -24.907 1.00 1.00 H new ATOM 1409 N ARG A 92 -18.597 10.424 -16.632 1.00 1.00 N ATOM 1410 CA ARG A 92 -17.696 10.061 -15.595 1.00 1.00 C ATOM 1411 C ARG A 92 -18.034 8.664 -15.186 1.00 1.00 C ATOM 1412 O ARG A 92 -19.214 8.269 -15.251 1.00 1.00 O ATOM 1413 CB ARG A 92 -17.895 10.967 -14.372 1.00 1.00 C ATOM 1414 CG ARG A 92 -17.657 12.446 -14.600 1.00 1.00 C ATOM 1415 CD ARG A 92 -16.202 12.753 -14.903 1.00 1.00 C ATOM 1416 NE ARG A 92 -15.967 14.199 -14.952 1.00 1.00 N ATOM 1417 CZ ARG A 92 -15.113 14.825 -15.769 1.00 1.00 C ATOM 1418 NH1 ARG A 92 -14.406 14.140 -16.661 1.00 1.00 N ATOM 1419 NH2 ARG A 92 -14.986 16.145 -15.699 1.00 1.00 N ATOM 0 H ARG A 92 -19.570 10.202 -16.421 1.00 1.00 H new ATOM 0 HA ARG A 92 -16.669 10.153 -15.948 1.00 1.00 H new ATOM 0 HB2 ARG A 92 -18.914 10.834 -14.007 1.00 1.00 H new ATOM 0 HB3 ARG A 92 -17.226 10.629 -13.580 1.00 1.00 H new ATOM 0 HG2 ARG A 92 -18.279 12.789 -15.427 1.00 1.00 H new ATOM 0 HG3 ARG A 92 -17.967 13.003 -13.716 1.00 1.00 H new ATOM 0 HD2 ARG A 92 -15.566 12.304 -14.140 1.00 1.00 H new ATOM 0 HD3 ARG A 92 -15.923 12.304 -15.856 1.00 1.00 H new ATOM 0 HE ARG A 92 -16.502 14.779 -14.306 1.00 1.00 H new ATOM 0 HH11 ARG A 92 -14.512 13.128 -16.727 1.00 1.00 H new ATOM 0 HH12 ARG A 92 -13.757 14.626 -17.280 1.00 1.00 H new ATOM 0 HH21 ARG A 92 -15.538 16.675 -15.025 1.00 1.00 H new ATOM 0 HH22 ARG A 92 -14.336 16.628 -16.319 1.00 1.00 H new ATOM 1433 N LEU A 93 -17.043 7.910 -14.792 1.00 1.00 N ATOM 1434 CA LEU A 93 -17.292 6.607 -14.252 1.00 1.00 C ATOM 1435 C LEU A 93 -17.778 6.816 -12.838 1.00 1.00 C ATOM 1436 O LEU A 93 -17.185 7.604 -12.075 1.00 1.00 O ATOM 1437 CB LEU A 93 -16.026 5.751 -14.265 1.00 1.00 C ATOM 1438 CG LEU A 93 -15.449 5.409 -15.644 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -14.137 4.663 -15.496 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.437 4.581 -16.455 1.00 1.00 C ATOM 0 H LEU A 93 -16.060 8.177 -14.836 1.00 1.00 H new ATOM 0 HA LEU A 93 -18.032 6.076 -14.851 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.257 6.269 -13.692 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.239 4.818 -13.743 1.00 1.00 H new ATOM 0 HG LEU A 93 -15.265 6.342 -16.177 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -13.739 4.427 -16.483 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.423 5.286 -14.957 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.304 3.739 -14.942 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -16.005 4.351 -17.429 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.654 3.653 -15.926 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.359 5.146 -16.591 1.00 1.00 H new ATOM 1452 N ASN A 94 -18.834 6.160 -12.491 1.00 1.00 N ATOM 1453 CA ASN A 94 -19.464 6.386 -11.218 1.00 1.00 C ATOM 1454 C ASN A 94 -18.815 5.572 -10.149 1.00 1.00 C ATOM 1455 O ASN A 94 -18.415 4.457 -10.393 1.00 1.00 O ATOM 1456 CB ASN A 94 -20.948 6.071 -11.305 1.00 1.00 C ATOM 1457 CG ASN A 94 -21.664 6.991 -12.265 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -21.620 8.201 -12.125 1.00 1.00 O ATOM 1459 ND2 ASN A 94 -22.297 6.429 -13.236 1.00 1.00 N ATOM 0 H ASN A 94 -19.288 5.455 -13.072 1.00 1.00 H new ATOM 0 HA ASN A 94 -19.344 7.437 -10.957 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -21.082 5.038 -11.625 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.396 6.159 -10.315 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -22.786 7.001 -13.924 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -22.309 5.412 -13.316 1.00 1.00 H new ATOM 1466 N THR A 95 -18.682 6.146 -8.990 1.00 1.00 N ATOM 1467 CA THR A 95 -18.122 5.503 -7.848 1.00 1.00 C ATOM 1468 C THR A 95 -19.219 5.164 -6.898 1.00 1.00 C ATOM 1469 O THR A 95 -20.375 5.587 -7.099 1.00 1.00 O ATOM 1470 CB THR A 95 -17.204 6.477 -7.148 1.00 1.00 C ATOM 1471 OG1 THR A 95 -17.774 7.795 -7.253 1.00 1.00 O ATOM 1472 CG2 THR A 95 -15.825 6.452 -7.735 1.00 1.00 C ATOM 0 H THR A 95 -18.972 7.108 -8.812 1.00 1.00 H new ATOM 0 HA THR A 95 -17.584 4.607 -8.157 1.00 1.00 H new ATOM 0 HB THR A 95 -17.110 6.190 -6.101 1.00 1.00 H new ATOM 0 HG1 THR A 95 -17.056 8.456 -7.340 1.00 1.00 H new ATOM 0 HG21 THR A 95 -15.192 7.165 -7.207 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.405 5.451 -7.636 1.00 1.00 H new ATOM 0 HG23 THR A 95 -15.874 6.722 -8.790 1.00 1.00 H new ATOM 1480 N LEU A 96 -18.901 4.428 -5.854 1.00 1.00 N ATOM 1481 CA LEU A 96 -19.899 4.188 -4.848 1.00 1.00 C ATOM 1482 C LEU A 96 -20.133 5.470 -4.091 1.00 1.00 C ATOM 1483 O LEU A 96 -21.213 5.703 -3.588 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.599 2.968 -3.917 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.470 3.073 -2.866 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -18.897 3.870 -1.632 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -18.028 1.685 -2.451 1.00 1.00 C ATOM 0 H LEU A 96 -17.990 4.001 -5.687 1.00 1.00 H new ATOM 0 HA LEU A 96 -20.820 3.889 -5.349 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.520 2.729 -3.385 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.371 2.116 -4.558 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.641 3.608 -3.329 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -18.070 3.915 -0.924 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -19.175 4.881 -1.930 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.751 3.383 -1.162 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -17.232 1.763 -1.710 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -18.873 1.148 -2.021 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -17.660 1.144 -3.323 1.00 1.00 H new ATOM 1499 N GLN A 97 -19.091 6.327 -4.048 1.00 1.00 N ATOM 1500 CA GLN A 97 -19.183 7.628 -3.398 1.00 1.00 C ATOM 1501 C GLN A 97 -20.161 8.546 -4.124 1.00 1.00 C ATOM 1502 O GLN A 97 -20.709 9.451 -3.536 1.00 1.00 O ATOM 1503 CB GLN A 97 -17.815 8.289 -3.282 1.00 1.00 C ATOM 1504 CG GLN A 97 -17.363 9.077 -4.507 1.00 1.00 C ATOM 1505 CD GLN A 97 -15.870 9.156 -4.609 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -15.236 8.054 -4.343 1.00 1.00 O flip ATOM 1507 NE2 GLN A 97 -15.308 10.181 -4.999 1.00 1.00 N flip ATOM 0 H GLN A 97 -18.179 6.130 -4.460 1.00 1.00 H new ATOM 0 HA GLN A 97 -19.564 7.458 -2.391 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -17.826 8.960 -2.423 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -17.074 7.517 -3.074 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -17.763 8.608 -5.406 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -17.776 10.085 -4.462 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -15.855 11.020 -5.194 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -14.296 10.191 -5.127 1.00 1.00 H new ATOM 1516 N HIS A 98 -20.363 8.300 -5.414 1.00 1.00 N ATOM 1517 CA HIS A 98 -21.255 9.140 -6.215 1.00 1.00 C ATOM 1518 C HIS A 98 -22.679 8.995 -5.708 1.00 1.00 C ATOM 1519 O HIS A 98 -23.448 9.941 -5.720 1.00 1.00 O ATOM 1520 CB HIS A 98 -21.168 8.811 -7.732 1.00 1.00 C ATOM 1521 CG HIS A 98 -21.864 9.829 -8.628 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -22.376 9.533 -9.876 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -22.128 11.149 -8.436 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -22.919 10.611 -10.398 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -22.781 11.601 -9.548 1.00 1.00 N ATOM 0 H HIS A 98 -19.927 7.534 -5.927 1.00 1.00 H new ATOM 0 HA HIS A 98 -20.935 10.176 -6.104 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -20.119 8.746 -8.020 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -21.607 7.829 -7.906 1.00 1.00 H new ATOM 0 HD1 HIS A 98 -22.339 8.618 -10.325 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -21.869 11.733 -7.565 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -23.398 10.671 -11.364 1.00 1.00 H new ATOM 1534 N TYR A 99 -23.017 7.798 -5.275 1.00 1.00 N ATOM 1535 CA TYR A 99 -24.338 7.533 -4.742 1.00 1.00 C ATOM 1536 C TYR A 99 -24.305 7.454 -3.218 1.00 1.00 C ATOM 1537 O TYR A 99 -25.343 7.481 -2.567 1.00 1.00 O ATOM 1538 CB TYR A 99 -24.890 6.240 -5.340 1.00 1.00 C ATOM 1539 CG TYR A 99 -25.193 6.334 -6.827 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -24.200 6.148 -7.787 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -26.479 6.606 -7.264 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -24.491 6.234 -9.139 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -26.778 6.694 -8.609 1.00 1.00 C ATOM 1544 CZ TYR A 99 -25.785 6.503 -9.540 1.00 1.00 C ATOM 1545 OH TYR A 99 -26.088 6.595 -10.881 1.00 1.00 O ATOM 0 H TYR A 99 -22.393 6.991 -5.282 1.00 1.00 H new ATOM 0 HA TYR A 99 -24.997 8.357 -5.017 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -24.171 5.438 -5.175 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -25.801 5.965 -4.809 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -23.189 5.934 -7.473 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -27.264 6.752 -6.537 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -23.712 6.092 -9.873 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -27.787 6.912 -8.928 1.00 1.00 H new ATOM 0 HH TYR A 99 -25.552 5.946 -11.383 1.00 1.00 H new ATOM 1555 N LYS A 100 -23.095 7.390 -2.677 1.00 1.00 N ATOM 1556 CA LYS A 100 -22.832 7.272 -1.248 1.00 1.00 C ATOM 1557 C LYS A 100 -23.553 6.102 -0.618 1.00 1.00 C ATOM 1558 O LYS A 100 -24.500 6.276 0.161 1.00 1.00 O ATOM 1559 CB LYS A 100 -23.091 8.584 -0.478 1.00 1.00 C ATOM 1560 CG LYS A 100 -22.084 9.693 -0.761 1.00 1.00 C ATOM 1561 CD LYS A 100 -20.691 9.316 -0.254 1.00 1.00 C ATOM 1562 CE LYS A 100 -19.661 10.401 -0.537 1.00 1.00 C ATOM 1563 NZ LYS A 100 -19.791 11.543 0.387 1.00 1.00 N ATOM 0 H LYS A 100 -22.243 7.420 -3.238 1.00 1.00 H new ATOM 0 HA LYS A 100 -21.764 7.069 -1.164 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -24.089 8.945 -0.726 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -23.086 8.370 0.591 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -22.044 9.887 -1.833 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -22.411 10.616 -0.282 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -20.735 9.131 0.819 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -20.374 8.386 -0.725 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -18.659 9.980 -0.454 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -19.776 10.750 -1.563 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -19.071 12.258 0.159 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -20.738 11.962 0.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -19.656 11.216 1.365 1.00 1.00 H new ATOM 1577 N VAL A 101 -23.127 4.905 -0.960 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.710 3.738 -0.364 1.00 1.00 C ATOM 1579 C VAL A 101 -23.117 3.529 1.043 1.00 1.00 C ATOM 1580 O VAL A 101 -21.915 3.746 1.253 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.555 2.445 -1.256 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.819 2.739 -2.721 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -22.219 1.753 -1.082 1.00 1.00 C ATOM 0 H VAL A 101 -22.388 4.722 -1.639 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.784 3.908 -0.282 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.316 1.751 -0.900 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.703 1.824 -3.302 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.834 3.117 -2.839 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -23.110 3.487 -3.076 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.179 0.873 -1.723 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.416 2.438 -1.355 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -22.099 1.450 -0.042 1.00 1.00 H new ATOM 1593 N PRO A 102 -23.947 3.178 2.029 1.00 1.00 N ATOM 1594 CA PRO A 102 -23.477 2.906 3.387 1.00 1.00 C ATOM 1595 C PRO A 102 -22.700 1.593 3.449 1.00 1.00 C ATOM 1596 O PRO A 102 -22.811 0.759 2.546 1.00 1.00 O ATOM 1597 CB PRO A 102 -24.777 2.809 4.192 1.00 1.00 C ATOM 1598 CG PRO A 102 -25.782 2.345 3.203 1.00 1.00 C ATOM 1599 CD PRO A 102 -25.409 3.022 1.916 1.00 1.00 C ATOM 0 HA PRO A 102 -22.794 3.668 3.762 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -24.681 2.108 5.021 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -25.054 3.773 4.619 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.760 1.260 3.098 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -26.792 2.615 3.512 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -25.684 2.420 1.050 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -25.909 3.984 1.807 1.00 1.00 H new ATOM 1607 N ASP A 103 -21.895 1.412 4.478 1.00 1.00 N ATOM 1608 CA ASP A 103 -21.162 0.165 4.613 1.00 1.00 C ATOM 1609 C ASP A 103 -22.113 -0.978 4.823 1.00 1.00 C ATOM 1610 O ASP A 103 -22.975 -0.944 5.699 1.00 1.00 O ATOM 1611 CB ASP A 103 -20.080 0.200 5.716 1.00 1.00 C ATOM 1612 CG ASP A 103 -20.628 0.247 7.122 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -20.860 1.364 7.638 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -20.816 -0.822 7.739 1.00 1.00 O ATOM 0 H ASP A 103 -21.733 2.095 5.218 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.623 0.018 3.677 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -19.446 -0.681 5.615 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -19.444 1.071 5.557 1.00 1.00 H new ATOM 1619 N GLY A 104 -21.979 -1.955 3.992 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.830 -3.104 4.054 1.00 1.00 C ATOM 1621 C GLY A 104 -24.063 -2.914 3.209 1.00 1.00 C ATOM 1622 O GLY A 104 -25.077 -3.569 3.430 1.00 1.00 O ATOM 0 H GLY A 104 -21.279 -1.984 3.250 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.284 -3.983 3.713 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -23.120 -3.290 5.088 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.977 -2.004 2.238 1.00 1.00 N ATOM 1627 CA ALA A 105 -25.089 -1.735 1.352 1.00 1.00 C ATOM 1628 C ALA A 105 -25.272 -2.869 0.381 1.00 1.00 C ATOM 1629 O ALA A 105 -24.329 -3.591 0.074 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.890 -0.439 0.605 1.00 1.00 C ATOM 0 H ALA A 105 -23.144 -1.445 2.052 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.988 -1.641 1.962 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -25.741 -0.264 -0.053 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.806 0.382 1.317 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.978 -0.498 0.010 1.00 1.00 H new ATOM 1636 N THR A 106 -26.453 -3.009 -0.113 1.00 1.00 N ATOM 1637 CA THR A 106 -26.767 -4.076 -1.003 1.00 1.00 C ATOM 1638 C THR A 106 -26.922 -3.552 -2.404 1.00 1.00 C ATOM 1639 O THR A 106 -27.664 -2.607 -2.645 1.00 1.00 O ATOM 1640 CB THR A 106 -28.058 -4.808 -0.560 1.00 1.00 C ATOM 1641 OG1 THR A 106 -27.855 -5.365 0.741 1.00 1.00 O ATOM 1642 CG2 THR A 106 -28.432 -5.924 -1.530 1.00 1.00 C ATOM 0 H THR A 106 -27.233 -2.384 0.089 1.00 1.00 H new ATOM 0 HA THR A 106 -25.946 -4.792 -0.979 1.00 1.00 H new ATOM 0 HB THR A 106 -28.873 -4.084 -0.547 1.00 1.00 H new ATOM 0 HG1 THR A 106 -28.669 -5.829 1.029 1.00 1.00 H new ATOM 0 HG21 THR A 106 -29.343 -6.415 -1.186 1.00 1.00 H new ATOM 0 HG22 THR A 106 -28.598 -5.503 -2.522 1.00 1.00 H new ATOM 0 HG23 THR A 106 -27.623 -6.653 -1.576 1.00 1.00 H new ATOM 1650 N VAL A 107 -26.197 -4.124 -3.308 1.00 1.00 N ATOM 1651 CA VAL A 107 -26.304 -3.777 -4.683 1.00 1.00 C ATOM 1652 C VAL A 107 -26.666 -5.021 -5.448 1.00 1.00 C ATOM 1653 O VAL A 107 -26.155 -6.112 -5.155 1.00 1.00 O ATOM 1654 CB VAL A 107 -25.027 -3.106 -5.242 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -24.753 -1.799 -4.507 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -23.827 -4.030 -5.153 1.00 1.00 C ATOM 0 H VAL A 107 -25.509 -4.851 -3.110 1.00 1.00 H new ATOM 0 HA VAL A 107 -27.084 -3.024 -4.798 1.00 1.00 H new ATOM 0 HB VAL A 107 -25.197 -2.889 -6.297 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -23.852 -1.337 -4.910 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -25.598 -1.123 -4.640 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -24.613 -2.001 -3.445 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -22.948 -3.525 -5.555 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -23.648 -4.295 -4.111 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -24.021 -4.935 -5.729 1.00 1.00 H new ATOM 1666 N ALA A 108 -27.570 -4.888 -6.360 1.00 1.00 N ATOM 1667 CA ALA A 108 -28.070 -6.028 -7.065 1.00 1.00 C ATOM 1668 C ALA A 108 -27.898 -5.914 -8.557 1.00 1.00 C ATOM 1669 O ALA A 108 -28.201 -4.922 -9.149 1.00 1.00 O ATOM 1670 CB ALA A 108 -29.506 -6.257 -6.720 1.00 1.00 C ATOM 0 H ALA A 108 -27.982 -3.997 -6.638 1.00 1.00 H new ATOM 0 HA ALA A 108 -27.477 -6.886 -6.747 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -29.876 -7.127 -7.262 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -29.599 -6.431 -5.648 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -30.091 -5.380 -6.998 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.455 -6.961 -9.137 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.184 -7.015 -10.563 1.00 1.00 C ATOM 1678 C LEU A 109 -28.425 -7.471 -11.297 1.00 1.00 C ATOM 1679 O LEU A 109 -28.977 -8.522 -10.991 1.00 1.00 O ATOM 1680 CB LEU A 109 -26.019 -7.986 -10.865 1.00 1.00 C ATOM 1681 CG LEU A 109 -24.575 -7.456 -10.695 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -24.258 -7.129 -9.242 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -23.578 -8.472 -11.236 1.00 1.00 C ATOM 0 H LEU A 109 -27.259 -7.833 -8.646 1.00 1.00 H new ATOM 0 HA LEU A 109 -26.900 -6.018 -10.899 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -26.134 -8.858 -10.221 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -26.130 -8.333 -11.892 1.00 1.00 H new ATOM 0 HG LEU A 109 -24.493 -6.530 -11.265 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -23.235 -6.760 -9.167 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -24.947 -6.364 -8.883 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -24.365 -8.028 -8.635 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -22.565 -8.089 -11.112 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -23.681 -9.410 -10.690 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -23.773 -8.645 -12.294 1.00 1.00 H new ATOM 1695 N VAL A 110 -28.869 -6.688 -12.235 1.00 1.00 N ATOM 1696 CA VAL A 110 -30.043 -7.014 -13.006 1.00 1.00 C ATOM 1697 C VAL A 110 -29.727 -6.983 -14.493 1.00 1.00 C ATOM 1698 O VAL A 110 -29.067 -6.061 -14.962 1.00 1.00 O ATOM 1699 CB VAL A 110 -31.235 -6.054 -12.709 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.736 -6.231 -11.295 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -30.884 -4.594 -12.958 1.00 1.00 C ATOM 0 H VAL A 110 -28.431 -5.803 -12.491 1.00 1.00 H new ATOM 0 HA VAL A 110 -30.343 -8.020 -12.711 1.00 1.00 H new ATOM 0 HB VAL A 110 -32.029 -6.325 -13.405 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.567 -5.549 -11.115 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -32.072 -7.258 -11.154 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -30.930 -6.014 -10.594 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -31.749 -3.969 -12.736 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -30.053 -4.305 -12.315 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.599 -4.461 -14.002 1.00 1.00 H new ATOM 1711 N PRO A 111 -30.176 -7.993 -15.255 1.00 1.00 N ATOM 1712 CA PRO A 111 -29.949 -8.050 -16.698 1.00 1.00 C ATOM 1713 C PRO A 111 -30.740 -6.965 -17.424 1.00 1.00 C ATOM 1714 O PRO A 111 -31.874 -7.185 -17.833 1.00 1.00 O ATOM 1715 CB PRO A 111 -30.438 -9.453 -17.096 1.00 1.00 C ATOM 1716 CG PRO A 111 -31.406 -9.830 -16.030 1.00 1.00 C ATOM 1717 CD PRO A 111 -30.923 -9.164 -14.769 1.00 1.00 C ATOM 0 HA PRO A 111 -28.906 -7.879 -16.964 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -30.913 -9.444 -18.077 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -29.611 -10.161 -17.149 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -32.413 -9.499 -16.284 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -31.448 -10.912 -15.907 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -31.754 -8.870 -14.128 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -30.288 -9.829 -14.183 1.00 1.00 H new ATOM 1725 N CYS A 112 -30.128 -5.792 -17.500 1.00 1.00 N ATOM 1726 CA CYS A 112 -30.664 -4.592 -18.148 1.00 1.00 C ATOM 1727 C CYS A 112 -32.102 -4.294 -17.693 1.00 1.00 C ATOM 1728 O CYS A 112 -33.071 -4.607 -18.379 1.00 1.00 O ATOM 1729 CB CYS A 112 -30.483 -4.622 -19.705 1.00 1.00 C ATOM 1730 SG CYS A 112 -31.196 -6.061 -20.557 1.00 1.00 S ATOM 0 H CYS A 112 -29.204 -5.639 -17.096 1.00 1.00 H new ATOM 0 HA CYS A 112 -30.067 -3.744 -17.813 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -30.930 -3.719 -20.121 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -29.417 -4.583 -19.929 1.00 1.00 H new ATOM 0 HG CYS A 112 -32.459 -6.157 -20.263 1.00 1.00 H new ATOM 1736 N LEU A 113 -32.213 -3.726 -16.465 1.00 1.00 N ATOM 1737 CA LEU A 113 -33.486 -3.387 -15.801 1.00 1.00 C ATOM 1738 C LEU A 113 -34.205 -4.639 -15.402 1.00 1.00 C ATOM 1739 O LEU A 113 -35.376 -4.614 -15.048 1.00 1.00 O ATOM 1740 CB LEU A 113 -34.390 -2.503 -16.663 1.00 1.00 C ATOM 1741 CG LEU A 113 -33.946 -1.044 -16.866 1.00 1.00 C ATOM 1742 CD1 LEU A 113 -33.521 -0.414 -15.548 1.00 1.00 C ATOM 1743 CD2 LEU A 113 -32.833 -0.955 -17.895 1.00 1.00 C ATOM 0 H LEU A 113 -31.397 -3.488 -15.901 1.00 1.00 H new ATOM 0 HA LEU A 113 -33.239 -2.806 -14.912 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -34.485 -2.969 -17.644 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -35.384 -2.496 -16.216 1.00 1.00 H new ATOM 0 HG LEU A 113 -34.800 -0.483 -17.244 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -33.212 0.617 -15.720 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -34.358 -0.430 -14.850 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -32.688 -0.977 -15.128 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -32.536 0.086 -18.021 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -31.977 -1.538 -17.556 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -33.186 -1.349 -18.848 1.00 1.00 H new ATOM 1755 N THR A 114 -33.460 -5.722 -15.478 1.00 1.00 N ATOM 1756 CA THR A 114 -33.885 -7.074 -15.149 1.00 1.00 C ATOM 1757 C THR A 114 -34.802 -7.685 -16.235 1.00 1.00 C ATOM 1758 O THR A 114 -35.405 -8.763 -16.079 1.00 1.00 O ATOM 1759 CB THR A 114 -34.427 -7.199 -13.690 1.00 1.00 C ATOM 1760 OG1 THR A 114 -33.933 -8.402 -13.093 1.00 1.00 O ATOM 1761 CG2 THR A 114 -35.939 -7.162 -13.619 1.00 1.00 C ATOM 0 H THR A 114 -32.489 -5.685 -15.787 1.00 1.00 H new ATOM 0 HA THR A 114 -32.993 -7.700 -15.158 1.00 1.00 H new ATOM 0 HB THR A 114 -34.066 -6.332 -13.136 1.00 1.00 H new ATOM 0 HG1 THR A 114 -33.834 -8.271 -12.127 1.00 1.00 H new ATOM 0 HG21 THR A 114 -36.257 -7.253 -12.580 1.00 1.00 H new ATOM 0 HG22 THR A 114 -36.299 -6.218 -14.027 1.00 1.00 H new ATOM 0 HG23 THR A 114 -36.351 -7.989 -14.198 1.00 1.00 H new ATOM 1769 N LYS A 115 -34.825 -7.023 -17.346 1.00 1.00 N ATOM 1770 CA LYS A 115 -35.552 -7.453 -18.487 1.00 1.00 C ATOM 1771 C LYS A 115 -34.563 -7.628 -19.619 1.00 1.00 C ATOM 1772 O LYS A 115 -34.125 -6.663 -20.239 1.00 1.00 O ATOM 1773 CB LYS A 115 -36.687 -6.459 -18.835 1.00 1.00 C ATOM 1774 CG LYS A 115 -36.255 -4.998 -18.968 1.00 1.00 C ATOM 1775 CD LYS A 115 -37.404 -4.104 -19.400 1.00 1.00 C ATOM 1776 CE LYS A 115 -38.462 -3.979 -18.320 1.00 1.00 C ATOM 1777 NZ LYS A 115 -39.591 -3.130 -18.747 1.00 1.00 N ATOM 0 H LYS A 115 -34.324 -6.145 -17.485 1.00 1.00 H new ATOM 0 HA LYS A 115 -36.048 -8.404 -18.293 1.00 1.00 H new ATOM 0 HB2 LYS A 115 -37.147 -6.772 -19.772 1.00 1.00 H new ATOM 0 HB3 LYS A 115 -37.455 -6.525 -18.065 1.00 1.00 H new ATOM 0 HG2 LYS A 115 -35.862 -4.648 -18.014 1.00 1.00 H new ATOM 0 HG3 LYS A 115 -35.445 -4.924 -19.693 1.00 1.00 H new ATOM 0 HD2 LYS A 115 -37.020 -3.114 -19.648 1.00 1.00 H new ATOM 0 HD3 LYS A 115 -37.856 -4.507 -20.306 1.00 1.00 H new ATOM 0 HE2 LYS A 115 -38.832 -4.970 -18.059 1.00 1.00 H new ATOM 0 HE3 LYS A 115 -38.013 -3.559 -17.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 115 -40.291 -3.071 -17.980 1.00 1.00 H new ATOM 0 HZ2 LYS A 115 -39.243 -2.176 -18.972 1.00 1.00 H new ATOM 0 HZ3 LYS A 115 -40.036 -3.543 -19.591 1.00 1.00 H new ATOM 1791 N HIS A 116 -34.175 -8.855 -19.858 1.00 1.00 N ATOM 1792 CA HIS A 116 -33.159 -9.131 -20.842 1.00 1.00 C ATOM 1793 C HIS A 116 -33.689 -8.930 -22.244 1.00 1.00 C ATOM 1794 O HIS A 116 -34.419 -9.768 -22.773 1.00 1.00 O ATOM 1795 CB HIS A 116 -32.576 -10.544 -20.669 1.00 1.00 C ATOM 1796 CG HIS A 116 -31.358 -10.798 -21.519 1.00 1.00 C ATOM 1797 ND1 HIS A 116 -31.394 -11.487 -22.709 1.00 1.00 N ATOM 1798 CD2 HIS A 116 -30.064 -10.444 -21.337 1.00 1.00 C ATOM 1799 CE1 HIS A 116 -30.182 -11.547 -23.220 1.00 1.00 C ATOM 1800 NE2 HIS A 116 -29.358 -10.920 -22.409 1.00 1.00 N ATOM 0 H HIS A 116 -34.547 -9.679 -19.385 1.00 1.00 H new ATOM 0 HA HIS A 116 -32.349 -8.419 -20.684 1.00 1.00 H new ATOM 0 HB2 HIS A 116 -32.317 -10.696 -19.621 1.00 1.00 H new ATOM 0 HB3 HIS A 116 -33.343 -11.278 -20.917 1.00 1.00 H new ATOM 0 HD2 HIS A 116 -29.663 -9.889 -20.502 1.00 1.00 H new ATOM 0 HE1 HIS A 116 -29.911 -12.029 -24.148 1.00 1.00 H new ATOM 0 HE2 HIS A 116 -28.355 -10.807 -22.555 1.00 1.00 H new ATOM 1809 N VAL A 117 -33.349 -7.805 -22.802 1.00 1.00 N ATOM 1810 CA VAL A 117 -33.674 -7.437 -24.155 1.00 1.00 C ATOM 1811 C VAL A 117 -32.432 -6.828 -24.755 1.00 1.00 C ATOM 1812 O VAL A 117 -31.499 -6.492 -24.019 1.00 1.00 O ATOM 1813 CB VAL A 117 -34.844 -6.398 -24.231 1.00 1.00 C ATOM 1814 CG1 VAL A 117 -36.141 -6.989 -23.709 1.00 1.00 C ATOM 1815 CG2 VAL A 117 -34.502 -5.114 -23.470 1.00 1.00 C ATOM 0 H VAL A 117 -32.816 -7.088 -22.310 1.00 1.00 H new ATOM 0 HA VAL A 117 -34.005 -8.324 -24.695 1.00 1.00 H new ATOM 0 HB VAL A 117 -34.981 -6.145 -25.282 1.00 1.00 H new ATOM 0 HG11 VAL A 117 -36.933 -6.243 -23.775 1.00 1.00 H new ATOM 0 HG12 VAL A 117 -36.411 -7.859 -24.307 1.00 1.00 H new ATOM 0 HG13 VAL A 117 -36.011 -7.289 -22.669 1.00 1.00 H new ATOM 0 HG21 VAL A 117 -35.335 -4.415 -23.543 1.00 1.00 H new ATOM 0 HG22 VAL A 117 -34.317 -5.350 -22.422 1.00 1.00 H new ATOM 0 HG23 VAL A 117 -33.610 -4.661 -23.902 1.00 1.00 H new ATOM 1825 N LEU A 118 -32.382 -6.699 -26.044 1.00 1.00 N ATOM 1826 CA LEU A 118 -31.235 -6.079 -26.656 1.00 1.00 C ATOM 1827 C LEU A 118 -31.419 -4.572 -26.674 1.00 1.00 C ATOM 1828 O LEU A 118 -32.038 -4.010 -27.576 1.00 1.00 O ATOM 1829 CB LEU A 118 -30.962 -6.638 -28.053 1.00 1.00 C ATOM 1830 CG LEU A 118 -30.682 -8.148 -28.128 1.00 1.00 C ATOM 1831 CD1 LEU A 118 -30.454 -8.583 -29.558 1.00 1.00 C ATOM 1832 CD2 LEU A 118 -29.488 -8.523 -27.262 1.00 1.00 C ATOM 0 H LEU A 118 -33.108 -7.008 -26.691 1.00 1.00 H new ATOM 0 HA LEU A 118 -30.354 -6.313 -26.059 1.00 1.00 H new ATOM 0 HB2 LEU A 118 -31.820 -6.415 -28.687 1.00 1.00 H new ATOM 0 HB3 LEU A 118 -30.108 -6.108 -28.475 1.00 1.00 H new ATOM 0 HG LEU A 118 -31.559 -8.670 -27.746 1.00 1.00 H new ATOM 0 HD11 LEU A 118 -30.258 -9.655 -29.585 1.00 1.00 H new ATOM 0 HD12 LEU A 118 -31.341 -8.361 -30.152 1.00 1.00 H new ATOM 0 HD13 LEU A 118 -29.599 -8.047 -29.969 1.00 1.00 H new ATOM 0 HD21 LEU A 118 -29.310 -9.596 -27.332 1.00 1.00 H new ATOM 0 HD22 LEU A 118 -28.605 -7.986 -27.608 1.00 1.00 H new ATOM 0 HD23 LEU A 118 -29.692 -8.256 -26.225 1.00 1.00 H new ATOM 1844 N ARG A 119 -30.910 -3.944 -25.648 1.00 1.00 N ATOM 1845 CA ARG A 119 -31.015 -2.517 -25.458 1.00 1.00 C ATOM 1846 C ARG A 119 -29.634 -1.925 -25.312 1.00 1.00 C ATOM 1847 O ARG A 119 -28.758 -2.530 -24.689 1.00 1.00 O ATOM 1848 CB ARG A 119 -31.855 -2.213 -24.193 1.00 1.00 C ATOM 1849 CG ARG A 119 -31.890 -0.735 -23.774 1.00 1.00 C ATOM 1850 CD ARG A 119 -32.728 -0.523 -22.519 1.00 1.00 C ATOM 1851 NE ARG A 119 -32.646 0.864 -21.997 1.00 1.00 N ATOM 1852 CZ ARG A 119 -33.346 1.322 -20.949 1.00 1.00 C ATOM 1853 NH1 ARG A 119 -34.323 0.592 -20.426 1.00 1.00 N ATOM 1854 NH2 ARG A 119 -33.099 2.520 -20.455 1.00 1.00 N ATOM 0 H ARG A 119 -30.399 -4.418 -24.903 1.00 1.00 H new ATOM 0 HA ARG A 119 -31.508 -2.074 -26.324 1.00 1.00 H new ATOM 0 HB2 ARG A 119 -32.877 -2.550 -24.365 1.00 1.00 H new ATOM 0 HB3 ARG A 119 -31.461 -2.800 -23.364 1.00 1.00 H new ATOM 0 HG2 ARG A 119 -30.874 -0.383 -23.596 1.00 1.00 H new ATOM 0 HG3 ARG A 119 -32.297 -0.136 -24.588 1.00 1.00 H new ATOM 0 HD2 ARG A 119 -33.769 -0.762 -22.738 1.00 1.00 H new ATOM 0 HD3 ARG A 119 -32.397 -1.217 -21.746 1.00 1.00 H new ATOM 0 HE ARG A 119 -32.015 1.513 -22.467 1.00 1.00 H new ATOM 0 HH11 ARG A 119 -34.544 -0.322 -20.821 1.00 1.00 H new ATOM 0 HH12 ARG A 119 -34.853 0.945 -19.629 1.00 1.00 H new ATOM 0 HH21 ARG A 119 -32.372 3.103 -20.870 1.00 1.00 H new ATOM 0 HH22 ARG A 119 -33.635 2.863 -19.658 1.00 1.00 H new ATOM 1868 N GLU A 120 -29.438 -0.777 -25.900 1.00 1.00 N ATOM 1869 CA GLU A 120 -28.197 -0.054 -25.788 1.00 1.00 C ATOM 1870 C GLU A 120 -28.114 0.591 -24.418 1.00 1.00 C ATOM 1871 O GLU A 120 -29.128 0.730 -23.733 1.00 1.00 O ATOM 1872 CB GLU A 120 -28.113 1.013 -26.872 1.00 1.00 C ATOM 1873 CG GLU A 120 -28.008 0.443 -28.268 1.00 1.00 C ATOM 1874 CD GLU A 120 -26.752 -0.353 -28.442 1.00 1.00 C ATOM 1875 OE1 GLU A 120 -25.647 0.211 -28.262 1.00 1.00 O ATOM 1876 OE2 GLU A 120 -26.837 -1.550 -28.735 1.00 1.00 O ATOM 0 H GLU A 120 -30.140 -0.311 -26.476 1.00 1.00 H new ATOM 0 HA GLU A 120 -27.364 -0.745 -25.914 1.00 1.00 H new ATOM 0 HB2 GLU A 120 -28.995 1.650 -26.813 1.00 1.00 H new ATOM 0 HB3 GLU A 120 -27.248 1.648 -26.681 1.00 1.00 H new ATOM 0 HG2 GLU A 120 -28.872 -0.190 -28.470 1.00 1.00 H new ATOM 0 HG3 GLU A 120 -28.030 1.254 -28.996 1.00 1.00 H new ATOM 1883 N ASN A 121 -26.932 0.974 -24.017 1.00 1.00 N ATOM 1884 CA ASN A 121 -26.749 1.604 -22.728 1.00 1.00 C ATOM 1885 C ASN A 121 -27.276 3.033 -22.756 1.00 1.00 C ATOM 1886 O ASN A 121 -26.559 3.984 -23.102 1.00 1.00 O ATOM 1887 CB ASN A 121 -25.281 1.558 -22.296 1.00 1.00 C ATOM 1888 CG ASN A 121 -25.014 2.301 -20.997 1.00 1.00 C ATOM 1889 OD1 ASN A 121 -24.680 3.482 -21.002 1.00 1.00 O ATOM 1890 ND2 ASN A 121 -25.164 1.631 -19.887 1.00 1.00 N ATOM 0 H ASN A 121 -26.077 0.863 -24.562 1.00 1.00 H new ATOM 0 HA ASN A 121 -27.323 1.047 -21.988 1.00 1.00 H new ATOM 0 HB2 ASN A 121 -24.975 0.518 -22.181 1.00 1.00 H new ATOM 0 HB3 ASN A 121 -24.663 1.986 -23.085 1.00 1.00 H new ATOM 0 HD21 ASN A 121 -25.003 2.088 -18.990 1.00 1.00 H new ATOM 0 HD22 ASN A 121 -25.443 0.650 -19.917 1.00 1.00 H new ATOM 1897 N GLN A 122 -28.547 3.140 -22.455 1.00 1.00 N ATOM 1898 CA GLN A 122 -29.294 4.362 -22.359 1.00 1.00 C ATOM 1899 C GLN A 122 -30.720 3.980 -22.061 1.00 1.00 C ATOM 1900 O GLN A 122 -31.227 4.341 -21.014 1.00 1.00 O ATOM 1901 CB GLN A 122 -29.241 5.175 -23.657 1.00 1.00 C ATOM 1902 CG GLN A 122 -29.989 6.492 -23.582 1.00 1.00 C ATOM 1903 CD GLN A 122 -29.941 7.259 -24.876 1.00 1.00 C ATOM 1904 OE1 GLN A 122 -29.883 6.673 -25.963 1.00 1.00 O ATOM 1905 NE2 GLN A 122 -29.990 8.560 -24.787 1.00 1.00 N ATOM 1906 OXT GLN A 122 -31.329 3.254 -22.869 1.00 1.00 O ATOM 0 H GLN A 122 -29.121 2.320 -22.258 1.00 1.00 H new ATOM 0 HA GLN A 122 -28.866 4.989 -21.577 1.00 1.00 H new ATOM 0 HB2 GLN A 122 -28.199 5.373 -23.909 1.00 1.00 H new ATOM 0 HB3 GLN A 122 -29.657 4.577 -24.467 1.00 1.00 H new ATOM 0 HG2 GLN A 122 -31.028 6.301 -23.316 1.00 1.00 H new ATOM 0 HG3 GLN A 122 -29.563 7.103 -22.786 1.00 1.00 H new ATOM 0 HE21 GLN A 122 -30.037 9.007 -23.871 1.00 1.00 H new ATOM 0 HE22 GLN A 122 -29.981 9.130 -25.633 1.00 1.00 H new TER 1915 GLN A 122