USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1099 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 20 ASN : amide:sc= 0.218 K(o=-0.43,f=-1.4) USER MOD Set 1.2: A 24 ASN :FLIP amide:sc= 0.0339 X(o=-0.76,f=-0.43) USER MOD Set 1.3: A 30 THR OG1 : rot -56:sc= -0.668 USER MOD Set 1.4: A 32 GLN :FLIP amide:sc= -0.0185 F(o=-3.1,f=-0.43) USER MOD Set 2.1: A 1 MET N :NH3+ -170:sc= 1.23 (180deg=0.88) USER MOD Set 2.2: A 75 ASN : amide:sc= -0.341 K(o=0.89,f=-0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 150:sc= 0 (180deg=-0.218) USER MOD Single : A 3 ASN : amide:sc= 0.912 K(o=0.91,f=-0.35) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= 1.49 (180deg=1.22) USER MOD Single : A 12 GLN : amide:sc= 0.303! C(o=0.3!,f=-7.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.11) USER MOD Single : A 28 TYR OH : rot 142:sc= -2.95! USER MOD Single : A 29 GLN :FLIP amide:sc= -1.29 F(o=-1.8,f=-1.3) USER MOD Single : A 35 ASN :FLIP amide:sc= 0.169 F(o=-3.6!,f=0.17) USER MOD Single : A 38 GLN : amide:sc= -1.7! C(o=-1.7!,f=-1.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.21) USER MOD Single : A 55 MET CE :methyl 162:sc= -1.92 (180deg=-2.58!) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= -1.17 (180deg=-1.21) USER MOD Single : A 60 MET CE :methyl -147:sc= -0.412 (180deg=-2.39) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= 1.3 (180deg=1.14) USER MOD Single : A 69 MET CE :methyl -105:sc= -5.38! (180deg=-10.1!) USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= -4.6! (180deg=-4.78!) USER MOD Single : A 81 MET CE :methyl 148:sc= -0.413 (180deg=-1.46!) USER MOD Single : A 82 THR OG1 : rot 80:sc= -0.325 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -113:sc= -0.91 (180deg=-4.82!) USER MOD Single : A 91 GLN : amide:sc= -1.66! C(o=-1.7!,f=-1.8!) USER MOD Single : A 93 SER OG : rot 20:sc= -1.37 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 141:sc= -2.67! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.12) USER MOD Single : A 117 LYS NZ :NH3+ -129:sc= -0.162 (180deg=-2.96!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 140:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HE2:sc= 0.963 K(o=0.96,f=-4.4!) USER MOD Single : A 129 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.358! C(o=-0.36!,f=-5.1!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.220 8.442 -9.334 1.00 4.15 N ATOM 2 CA MET A 1 4.436 9.781 -9.927 1.00 3.53 C ATOM 3 C MET A 1 4.984 10.758 -8.892 1.00 2.88 C ATOM 4 O MET A 1 5.675 11.716 -9.239 1.00 3.29 O ATOM 5 CB MET A 1 3.133 10.321 -10.523 1.00 3.87 C ATOM 6 CG MET A 1 3.285 11.670 -11.206 1.00 4.48 C ATOM 7 SD MET A 1 1.758 12.235 -11.978 1.00 5.46 S ATOM 8 CE MET A 1 2.268 13.835 -12.603 1.00 6.07 C ATOM 0 H1 MET A 1 4.011 7.758 -10.089 1.00 4.15 H new ATOM 0 H2 MET A 1 5.077 8.145 -8.825 1.00 4.15 H new ATOM 0 H3 MET A 1 3.420 8.481 -8.671 1.00 4.15 H new ATOM 0 HA MET A 1 5.172 9.679 -10.724 1.00 3.53 H new ATOM 0 HB2 MET A 1 2.748 9.600 -11.244 1.00 3.87 H new ATOM 0 HB3 MET A 1 2.390 10.407 -9.730 1.00 3.87 H new ATOM 0 HG2 MET A 1 3.612 12.408 -10.474 1.00 4.48 H new ATOM 0 HG3 MET A 1 4.067 11.603 -11.963 1.00 4.48 H new ATOM 0 HE1 MET A 1 1.429 14.312 -13.109 1.00 6.07 H new ATOM 0 HE2 MET A 1 2.595 14.462 -11.774 1.00 6.07 H new ATOM 0 HE3 MET A 1 3.090 13.705 -13.307 1.00 6.07 H new ATOM 20 N MET A 2 4.681 10.521 -7.621 1.00 2.34 N ATOM 21 CA MET A 2 5.197 11.368 -6.552 1.00 1.89 C ATOM 22 C MET A 2 6.647 11.001 -6.247 1.00 1.54 C ATOM 23 O MET A 2 7.257 10.218 -6.980 1.00 2.12 O ATOM 24 CB MET A 2 4.342 11.212 -5.292 1.00 1.97 C ATOM 25 CG MET A 2 2.865 11.501 -5.513 1.00 2.44 C ATOM 26 SD MET A 2 2.555 13.199 -6.034 1.00 3.03 S ATOM 27 CE MET A 2 0.770 13.183 -6.188 1.00 3.88 C ATOM 0 H MET A 2 4.085 9.755 -7.307 1.00 2.34 H new ATOM 0 HA MET A 2 5.155 12.407 -6.878 1.00 1.89 H new ATOM 0 HB2 MET A 2 4.451 10.196 -4.914 1.00 1.97 H new ATOM 0 HB3 MET A 2 4.722 11.882 -4.521 1.00 1.97 H new ATOM 0 HG2 MET A 2 2.475 10.818 -6.267 1.00 2.44 H new ATOM 0 HG3 MET A 2 2.319 11.303 -4.591 1.00 2.44 H new ATOM 0 HE1 MET A 2 0.377 14.177 -5.975 1.00 3.88 H new ATOM 0 HE2 MET A 2 0.495 12.894 -7.202 1.00 3.88 H new ATOM 0 HE3 MET A 2 0.350 12.468 -5.481 1.00 3.88 H new ATOM 37 N ASN A 3 7.202 11.578 -5.182 1.00 0.88 N ATOM 38 CA ASN A 3 8.547 11.217 -4.735 1.00 0.71 C ATOM 39 C ASN A 3 8.556 9.733 -4.425 1.00 0.66 C ATOM 40 O ASN A 3 9.290 8.945 -5.021 1.00 1.42 O ATOM 41 CB ASN A 3 8.932 12.020 -3.489 1.00 0.84 C ATOM 42 CG ASN A 3 10.438 12.130 -3.310 1.00 1.38 C ATOM 43 OD1 ASN A 3 11.064 13.057 -3.826 1.00 2.35 O ATOM 44 ND2 ASN A 3 11.033 11.198 -2.591 1.00 1.61 N ATOM 0 H ASN A 3 6.745 12.293 -4.616 1.00 0.88 H new ATOM 0 HA ASN A 3 9.273 11.445 -5.516 1.00 0.71 H new ATOM 0 HB2 ASN A 3 8.504 13.020 -3.558 1.00 0.84 H new ATOM 0 HB3 ASN A 3 8.498 11.548 -2.608 1.00 0.84 H new ATOM 0 HD21 ASN A 3 12.042 11.231 -2.448 1.00 1.61 H new ATOM 0 HD22 ASN A 3 10.484 10.444 -2.178 1.00 1.61 H new ATOM 51 N GLU A 4 7.695 9.403 -3.491 1.00 0.57 N ATOM 52 CA GLU A 4 7.300 8.054 -3.165 1.00 0.38 C ATOM 53 C GLU A 4 6.330 8.212 -2.020 1.00 0.32 C ATOM 54 O GLU A 4 6.495 9.100 -1.197 1.00 0.50 O ATOM 55 CB GLU A 4 8.488 7.152 -2.799 1.00 0.52 C ATOM 56 CG GLU A 4 8.823 7.103 -1.325 1.00 0.64 C ATOM 57 CD GLU A 4 9.291 8.433 -0.777 1.00 1.56 C ATOM 58 OE1 GLU A 4 10.202 9.044 -1.362 1.00 1.85 O ATOM 59 OE2 GLU A 4 8.747 8.872 0.243 1.00 2.30 O ATOM 0 H GLU A 4 7.230 10.101 -2.911 1.00 0.57 H new ATOM 0 HA GLU A 4 6.851 7.552 -4.022 1.00 0.38 H new ATOM 0 HB2 GLU A 4 8.275 6.139 -3.142 1.00 0.52 H new ATOM 0 HB3 GLU A 4 9.367 7.495 -3.345 1.00 0.52 H new ATOM 0 HG2 GLU A 4 7.943 6.777 -0.770 1.00 0.64 H new ATOM 0 HG3 GLU A 4 9.599 6.356 -1.160 1.00 0.64 H new ATOM 66 N LYS A 5 5.282 7.454 -1.988 1.00 0.21 N ATOM 67 CA LYS A 5 4.296 7.682 -0.956 1.00 0.14 C ATOM 68 C LYS A 5 3.389 6.500 -0.828 1.00 0.11 C ATOM 69 O LYS A 5 2.976 5.904 -1.829 1.00 0.12 O ATOM 70 CB LYS A 5 3.468 8.912 -1.303 1.00 0.16 C ATOM 71 CG LYS A 5 2.948 9.657 -0.092 1.00 0.16 C ATOM 72 CD LYS A 5 3.732 10.942 0.134 1.00 0.30 C ATOM 73 CE LYS A 5 4.026 11.701 -1.157 1.00 0.54 C ATOM 74 NZ LYS A 5 2.800 12.195 -1.833 1.00 0.80 N ATOM 0 H LYS A 5 5.080 6.693 -2.637 1.00 0.21 H new ATOM 0 HA LYS A 5 4.814 7.837 -0.009 1.00 0.14 H new ATOM 0 HB2 LYS A 5 4.075 9.590 -1.903 1.00 0.16 H new ATOM 0 HB3 LYS A 5 2.624 8.608 -1.922 1.00 0.16 H new ATOM 0 HG2 LYS A 5 1.892 9.890 -0.229 1.00 0.16 H new ATOM 0 HG3 LYS A 5 3.022 9.021 0.790 1.00 0.16 H new ATOM 0 HD2 LYS A 5 3.171 11.589 0.808 1.00 0.30 H new ATOM 0 HD3 LYS A 5 4.673 10.704 0.630 1.00 0.30 H new ATOM 0 HE2 LYS A 5 4.677 12.546 -0.934 1.00 0.54 H new ATOM 0 HE3 LYS A 5 4.572 11.049 -1.839 1.00 0.54 H new ATOM 0 HZ1 LYS A 5 3.054 12.941 -2.511 1.00 0.80 H new ATOM 0 HZ2 LYS A 5 2.342 11.410 -2.338 1.00 0.80 H new ATOM 0 HZ3 LYS A 5 2.144 12.580 -1.124 1.00 0.80 H new ATOM 88 N ILE A 6 3.040 6.192 0.396 1.00 0.10 N ATOM 89 CA ILE A 6 2.274 5.017 0.661 1.00 0.09 C ATOM 90 C ILE A 6 1.166 5.285 1.660 1.00 0.08 C ATOM 91 O ILE A 6 1.241 6.201 2.470 1.00 0.08 O ATOM 92 CB ILE A 6 3.198 3.870 1.114 1.00 0.10 C ATOM 93 CG1 ILE A 6 3.697 3.115 -0.113 1.00 0.14 C ATOM 94 CG2 ILE A 6 2.520 2.935 2.108 1.00 0.10 C ATOM 95 CD1 ILE A 6 4.910 2.276 0.164 1.00 0.20 C ATOM 0 H ILE A 6 3.278 6.744 1.220 1.00 0.10 H new ATOM 0 HA ILE A 6 1.786 4.709 -0.264 1.00 0.09 H new ATOM 0 HB ILE A 6 4.048 4.302 1.643 1.00 0.10 H new ATOM 0 HG12 ILE A 6 2.898 2.475 -0.488 1.00 0.14 H new ATOM 0 HG13 ILE A 6 3.930 3.830 -0.902 1.00 0.14 H new ATOM 0 HG21 ILE A 6 3.213 2.145 2.395 1.00 0.10 H new ATOM 0 HG22 ILE A 6 2.224 3.498 2.993 1.00 0.10 H new ATOM 0 HG23 ILE A 6 1.637 2.493 1.647 1.00 0.10 H new ATOM 0 HD11 ILE A 6 5.215 1.765 -0.749 1.00 0.20 H new ATOM 0 HD12 ILE A 6 5.722 2.914 0.511 1.00 0.20 H new ATOM 0 HD13 ILE A 6 4.675 1.539 0.932 1.00 0.20 H new ATOM 107 N LEU A 7 0.131 4.496 1.551 1.00 0.09 N ATOM 108 CA LEU A 7 -1.033 4.604 2.391 1.00 0.08 C ATOM 109 C LEU A 7 -1.434 3.198 2.785 1.00 0.09 C ATOM 110 O LEU A 7 -1.747 2.393 1.924 1.00 0.17 O ATOM 111 CB LEU A 7 -2.134 5.245 1.571 1.00 0.10 C ATOM 112 CG LEU A 7 -3.195 5.989 2.343 1.00 0.10 C ATOM 113 CD1 LEU A 7 -4.100 6.713 1.367 1.00 0.12 C ATOM 114 CD2 LEU A 7 -4.005 5.050 3.223 1.00 0.12 C ATOM 0 H LEU A 7 0.071 3.746 0.863 1.00 0.09 H new ATOM 0 HA LEU A 7 -0.844 5.202 3.282 1.00 0.08 H new ATOM 0 HB2 LEU A 7 -1.676 5.937 0.865 1.00 0.10 H new ATOM 0 HB3 LEU A 7 -2.621 4.466 0.984 1.00 0.10 H new ATOM 0 HG LEU A 7 -2.709 6.710 3.000 1.00 0.10 H new ATOM 0 HD11 LEU A 7 -4.870 7.254 1.917 1.00 0.12 H new ATOM 0 HD12 LEU A 7 -3.512 7.418 0.779 1.00 0.12 H new ATOM 0 HD13 LEU A 7 -4.570 5.989 0.701 1.00 0.12 H new ATOM 0 HD21 LEU A 7 -4.760 5.620 3.765 1.00 0.12 H new ATOM 0 HD22 LEU A 7 -4.493 4.300 2.601 1.00 0.12 H new ATOM 0 HD23 LEU A 7 -3.343 4.557 3.935 1.00 0.12 H new ATOM 126 N ILE A 8 -1.401 2.879 4.054 1.00 0.09 N ATOM 127 CA ILE A 8 -1.730 1.521 4.466 1.00 0.10 C ATOM 128 C ILE A 8 -3.101 1.488 5.121 1.00 0.11 C ATOM 129 O ILE A 8 -3.256 1.976 6.230 1.00 0.13 O ATOM 130 CB ILE A 8 -0.690 0.951 5.447 1.00 0.12 C ATOM 131 CG1 ILE A 8 0.732 1.353 5.040 1.00 0.14 C ATOM 132 CG2 ILE A 8 -0.802 -0.561 5.515 1.00 0.15 C ATOM 133 CD1 ILE A 8 1.311 2.409 5.929 1.00 0.22 C ATOM 0 H ILE A 8 -1.157 3.518 4.811 1.00 0.09 H new ATOM 0 HA ILE A 8 -1.729 0.903 3.568 1.00 0.10 H new ATOM 0 HB ILE A 8 -0.895 1.369 6.433 1.00 0.12 H new ATOM 0 HG12 ILE A 8 1.374 0.473 5.062 1.00 0.14 H new ATOM 0 HG13 ILE A 8 0.723 1.715 4.012 1.00 0.14 H new ATOM 0 HG21 ILE A 8 -0.060 -0.950 6.213 1.00 0.15 H new ATOM 0 HG22 ILE A 8 -1.800 -0.837 5.855 1.00 0.15 H new ATOM 0 HG23 ILE A 8 -0.626 -0.984 4.526 1.00 0.15 H new ATOM 0 HD11 ILE A 8 2.319 2.654 5.594 1.00 0.22 H new ATOM 0 HD12 ILE A 8 0.687 3.302 5.887 1.00 0.22 H new ATOM 0 HD13 ILE A 8 1.349 2.041 6.954 1.00 0.22 H new ATOM 145 N VAL A 9 -4.085 0.928 4.435 1.00 0.17 N ATOM 146 CA VAL A 9 -5.450 0.881 4.947 1.00 0.18 C ATOM 147 C VAL A 9 -5.701 -0.433 5.676 1.00 0.18 C ATOM 148 O VAL A 9 -6.347 -1.324 5.144 1.00 0.28 O ATOM 149 CB VAL A 9 -6.503 1.032 3.825 1.00 0.19 C ATOM 150 CG1 VAL A 9 -7.916 1.053 4.405 1.00 0.23 C ATOM 151 CG2 VAL A 9 -6.236 2.288 3.016 1.00 0.26 C ATOM 0 H VAL A 9 -3.965 0.497 3.518 1.00 0.17 H new ATOM 0 HA VAL A 9 -5.553 1.721 5.633 1.00 0.18 H new ATOM 0 HB VAL A 9 -6.424 0.170 3.162 1.00 0.19 H new ATOM 0 HG11 VAL A 9 -8.639 1.160 3.597 1.00 0.23 H new ATOM 0 HG12 VAL A 9 -8.104 0.122 4.939 1.00 0.23 H new ATOM 0 HG13 VAL A 9 -8.014 1.892 5.093 1.00 0.23 H new ATOM 0 HG21 VAL A 9 -6.985 2.381 2.230 1.00 0.26 H new ATOM 0 HG22 VAL A 9 -6.286 3.159 3.669 1.00 0.26 H new ATOM 0 HG23 VAL A 9 -5.245 2.228 2.567 1.00 0.26 H new ATOM 161 N ASP A 10 -5.179 -0.540 6.886 1.00 0.17 N ATOM 162 CA ASP A 10 -5.328 -1.753 7.684 1.00 0.18 C ATOM 163 C ASP A 10 -5.970 -1.439 9.028 1.00 0.17 C ATOM 164 O ASP A 10 -5.570 -0.497 9.708 1.00 0.32 O ATOM 165 CB ASP A 10 -3.968 -2.418 7.929 1.00 0.30 C ATOM 166 CG ASP A 10 -3.439 -3.162 6.719 1.00 1.02 C ATOM 167 OD1 ASP A 10 -3.107 -2.506 5.712 1.00 1.82 O ATOM 168 OD2 ASP A 10 -3.332 -4.403 6.794 1.00 1.26 O ATOM 0 H ASP A 10 -4.645 0.200 7.342 1.00 0.17 H new ATOM 0 HA ASP A 10 -5.968 -2.435 7.124 1.00 0.18 H new ATOM 0 HB2 ASP A 10 -3.246 -1.656 8.223 1.00 0.30 H new ATOM 0 HB3 ASP A 10 -4.056 -3.113 8.764 1.00 0.30 H new ATOM 173 N ASP A 11 -6.963 -2.219 9.422 1.00 0.29 N ATOM 174 CA ASP A 11 -7.550 -2.079 10.752 1.00 0.31 C ATOM 175 C ASP A 11 -6.633 -2.741 11.740 1.00 0.37 C ATOM 176 O ASP A 11 -6.436 -2.255 12.857 1.00 0.46 O ATOM 177 CB ASP A 11 -8.936 -2.705 10.837 1.00 0.36 C ATOM 178 CG ASP A 11 -9.529 -2.609 12.226 1.00 0.41 C ATOM 179 OD1 ASP A 11 -10.101 -1.552 12.563 1.00 0.44 O ATOM 180 OD2 ASP A 11 -9.421 -3.590 12.990 1.00 0.51 O ATOM 0 H ASP A 11 -7.380 -2.952 8.848 1.00 0.29 H new ATOM 0 HA ASP A 11 -7.665 -1.018 10.973 1.00 0.31 H new ATOM 0 HB2 ASP A 11 -9.599 -2.211 10.127 1.00 0.36 H new ATOM 0 HB3 ASP A 11 -8.877 -3.753 10.542 1.00 0.36 H new ATOM 185 N GLN A 12 -6.083 -3.870 11.314 1.00 0.43 N ATOM 186 CA GLN A 12 -4.955 -4.464 11.982 1.00 0.54 C ATOM 187 C GLN A 12 -3.781 -3.518 11.863 1.00 0.49 C ATOM 188 O GLN A 12 -2.913 -3.680 11.011 1.00 0.68 O ATOM 189 CB GLN A 12 -4.553 -5.811 11.373 1.00 0.79 C ATOM 190 CG GLN A 12 -5.649 -6.581 10.650 1.00 0.71 C ATOM 191 CD GLN A 12 -6.021 -5.992 9.298 1.00 1.24 C ATOM 192 OE1 GLN A 12 -6.941 -5.179 9.200 1.00 1.80 O ATOM 193 NE2 GLN A 12 -5.315 -6.388 8.261 1.00 2.07 N ATOM 0 H GLN A 12 -6.411 -4.390 10.500 1.00 0.43 H new ATOM 0 HA GLN A 12 -5.236 -4.640 13.020 1.00 0.54 H new ATOM 0 HB2 GLN A 12 -3.737 -5.639 10.671 1.00 0.79 H new ATOM 0 HB3 GLN A 12 -4.160 -6.443 12.170 1.00 0.79 H new ATOM 0 HG2 GLN A 12 -5.324 -7.612 10.510 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -6.537 -6.609 11.281 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -4.561 -7.063 8.385 1.00 2.07 H new ATOM 0 HE22 GLN A 12 -5.522 -6.020 7.333 1.00 2.07 H new ATOM 202 N TYR A 13 -3.799 -2.499 12.688 1.00 0.37 N ATOM 203 CA TYR A 13 -2.735 -1.508 12.717 1.00 0.31 C ATOM 204 C TYR A 13 -1.373 -2.151 12.947 1.00 0.32 C ATOM 205 O TYR A 13 -0.343 -1.529 12.696 1.00 0.32 O ATOM 206 CB TYR A 13 -3.027 -0.439 13.774 1.00 0.35 C ATOM 207 CG TYR A 13 -3.446 -0.997 15.117 1.00 0.53 C ATOM 208 CD1 TYR A 13 -2.493 -1.423 16.033 1.00 0.70 C ATOM 209 CD2 TYR A 13 -4.785 -1.093 15.472 1.00 0.86 C ATOM 210 CE1 TYR A 13 -2.862 -1.932 17.261 1.00 0.98 C ATOM 211 CE2 TYR A 13 -5.163 -1.601 16.701 1.00 1.12 C ATOM 212 CZ TYR A 13 -4.237 -2.022 17.578 1.00 1.14 C ATOM 213 OH TYR A 13 -4.565 -2.522 18.821 1.00 1.44 O ATOM 0 H TYR A 13 -4.547 -2.328 13.360 1.00 0.37 H new ATOM 0 HA TYR A 13 -2.701 -1.026 11.740 1.00 0.31 H new ATOM 0 HB2 TYR A 13 -2.137 0.175 13.909 1.00 0.35 H new ATOM 0 HB3 TYR A 13 -3.814 0.218 13.404 1.00 0.35 H new ATOM 0 HD1 TYR A 13 -1.445 -1.355 15.780 1.00 0.70 H new ATOM 0 HD2 TYR A 13 -5.544 -0.765 14.777 1.00 0.86 H new ATOM 0 HE1 TYR A 13 -2.113 -2.256 17.968 1.00 0.98 H new ATOM 0 HE2 TYR A 13 -6.210 -1.660 16.958 1.00 1.12 H new ATOM 0 HH TYR A 13 -5.540 -2.534 18.922 1.00 1.44 H new ATOM 223 N GLY A 14 -1.374 -3.399 13.407 1.00 0.35 N ATOM 224 CA GLY A 14 -0.160 -4.179 13.433 1.00 0.38 C ATOM 225 C GLY A 14 0.470 -4.243 12.057 1.00 0.35 C ATOM 226 O GLY A 14 1.572 -3.743 11.859 1.00 0.36 O ATOM 0 H GLY A 14 -2.200 -3.881 13.762 1.00 0.35 H new ATOM 0 HA2 GLY A 14 0.544 -3.740 14.140 1.00 0.38 H new ATOM 0 HA3 GLY A 14 -0.378 -5.187 13.785 1.00 0.38 H new ATOM 230 N ILE A 15 -0.262 -4.790 11.081 1.00 0.37 N ATOM 231 CA ILE A 15 0.241 -4.856 9.706 1.00 0.40 C ATOM 232 C ILE A 15 0.553 -3.465 9.203 1.00 0.30 C ATOM 233 O ILE A 15 1.405 -3.273 8.343 1.00 0.29 O ATOM 234 CB ILE A 15 -0.747 -5.456 8.670 1.00 0.54 C ATOM 235 CG1 ILE A 15 -2.010 -6.077 9.291 1.00 0.80 C ATOM 236 CG2 ILE A 15 -0.023 -6.452 7.784 1.00 0.79 C ATOM 237 CD1 ILE A 15 -1.822 -7.389 10.027 1.00 0.75 C ATOM 0 H ILE A 15 -1.192 -5.188 11.214 1.00 0.37 H new ATOM 0 HA ILE A 15 1.112 -5.508 9.776 1.00 0.40 H new ATOM 0 HB ILE A 15 -1.109 -4.623 8.068 1.00 0.54 H new ATOM 0 HG12 ILE A 15 -2.441 -5.355 9.984 1.00 0.80 H new ATOM 0 HG13 ILE A 15 -2.741 -6.232 8.497 1.00 0.80 H new ATOM 0 HG21 ILE A 15 -0.722 -6.869 7.059 1.00 0.79 H new ATOM 0 HG22 ILE A 15 0.788 -5.949 7.258 1.00 0.79 H new ATOM 0 HG23 ILE A 15 0.386 -7.255 8.398 1.00 0.79 H new ATOM 0 HD11 ILE A 15 -2.781 -7.727 10.420 1.00 0.75 H new ATOM 0 HD12 ILE A 15 -1.427 -8.138 9.341 1.00 0.75 H new ATOM 0 HD13 ILE A 15 -1.122 -7.247 10.851 1.00 0.75 H new ATOM 249 N ARG A 16 -0.121 -2.499 9.783 1.00 0.25 N ATOM 250 CA ARG A 16 -0.142 -1.167 9.235 1.00 0.19 C ATOM 251 C ARG A 16 1.120 -0.413 9.586 1.00 0.20 C ATOM 252 O ARG A 16 1.716 0.219 8.728 1.00 0.22 O ATOM 253 CB ARG A 16 -1.350 -0.406 9.733 1.00 0.16 C ATOM 254 CG ARG A 16 -1.948 0.474 8.669 1.00 0.14 C ATOM 255 CD ARG A 16 -2.668 1.650 9.275 1.00 0.12 C ATOM 256 NE ARG A 16 -3.750 1.259 10.164 1.00 0.16 N ATOM 257 CZ ARG A 16 -4.058 1.888 11.298 1.00 0.25 C ATOM 258 NH1 ARG A 16 -3.361 2.948 11.693 1.00 0.38 N ATOM 259 NH2 ARG A 16 -5.067 1.448 12.037 1.00 0.31 N ATOM 0 H ARG A 16 -0.664 -2.614 10.639 1.00 0.25 H new ATOM 0 HA ARG A 16 -0.200 -1.256 8.150 1.00 0.19 H new ATOM 0 HB2 ARG A 16 -2.103 -1.112 10.083 1.00 0.16 H new ATOM 0 HB3 ARG A 16 -1.064 0.205 10.589 1.00 0.16 H new ATOM 0 HG2 ARG A 16 -1.162 0.830 8.003 1.00 0.14 H new ATOM 0 HG3 ARG A 16 -2.642 -0.107 8.061 1.00 0.14 H new ATOM 0 HD2 ARG A 16 -1.954 2.260 9.828 1.00 0.12 H new ATOM 0 HD3 ARG A 16 -3.069 2.274 8.476 1.00 0.12 H new ATOM 0 HE ARG A 16 -4.311 0.449 9.902 1.00 0.16 H new ATOM 0 HH11 ARG A 16 -2.583 3.287 11.127 1.00 0.38 H new ATOM 0 HH12 ARG A 16 -3.604 3.423 12.562 1.00 0.38 H new ATOM 0 HH21 ARG A 16 -5.602 0.633 11.737 1.00 0.31 H new ATOM 0 HH22 ARG A 16 -5.308 1.924 12.906 1.00 0.31 H new ATOM 273 N ILE A 17 1.520 -0.473 10.848 1.00 0.22 N ATOM 274 CA ILE A 17 2.753 0.170 11.276 1.00 0.25 C ATOM 275 C ILE A 17 3.938 -0.678 10.853 1.00 0.29 C ATOM 276 O ILE A 17 5.036 -0.167 10.639 1.00 0.31 O ATOM 277 CB ILE A 17 2.795 0.405 12.802 1.00 0.31 C ATOM 278 CG1 ILE A 17 2.664 -0.920 13.559 1.00 0.35 C ATOM 279 CG2 ILE A 17 1.693 1.371 13.218 1.00 0.30 C ATOM 280 CD1 ILE A 17 2.794 -0.782 15.063 1.00 0.56 C ATOM 0 H ILE A 17 1.012 -0.957 11.589 1.00 0.22 H new ATOM 0 HA ILE A 17 2.798 1.148 10.798 1.00 0.25 H new ATOM 0 HB ILE A 17 3.759 0.847 13.056 1.00 0.31 H new ATOM 0 HG12 ILE A 17 1.697 -1.366 13.327 1.00 0.35 H new ATOM 0 HG13 ILE A 17 3.428 -1.610 13.200 1.00 0.35 H new ATOM 0 HG21 ILE A 17 1.734 1.528 14.296 1.00 0.30 H new ATOM 0 HG22 ILE A 17 1.832 2.324 12.707 1.00 0.30 H new ATOM 0 HG23 ILE A 17 0.723 0.954 12.949 1.00 0.30 H new ATOM 0 HD11 ILE A 17 2.690 -1.762 15.529 1.00 0.56 H new ATOM 0 HD12 ILE A 17 3.772 -0.366 15.307 1.00 0.56 H new ATOM 0 HD13 ILE A 17 2.014 -0.119 15.436 1.00 0.56 H new ATOM 292 N LEU A 18 3.694 -1.977 10.731 1.00 0.32 N ATOM 293 CA LEU A 18 4.658 -2.890 10.141 1.00 0.37 C ATOM 294 C LEU A 18 5.009 -2.412 8.736 1.00 0.33 C ATOM 295 O LEU A 18 6.128 -1.975 8.478 1.00 0.32 O ATOM 296 CB LEU A 18 4.072 -4.304 10.106 1.00 0.44 C ATOM 297 CG LEU A 18 4.644 -5.238 9.041 1.00 0.49 C ATOM 298 CD1 LEU A 18 6.114 -5.536 9.305 1.00 0.53 C ATOM 299 CD2 LEU A 18 3.840 -6.525 8.982 1.00 0.58 C ATOM 0 H LEU A 18 2.829 -2.422 11.036 1.00 0.32 H new ATOM 0 HA LEU A 18 5.568 -2.910 10.741 1.00 0.37 H new ATOM 0 HB2 LEU A 18 4.223 -4.763 11.083 1.00 0.44 H new ATOM 0 HB3 LEU A 18 2.996 -4.226 9.953 1.00 0.44 H new ATOM 0 HG LEU A 18 4.573 -4.737 8.076 1.00 0.49 H new ATOM 0 HD11 LEU A 18 6.495 -6.203 8.531 1.00 0.53 H new ATOM 0 HD12 LEU A 18 6.682 -4.606 9.293 1.00 0.53 H new ATOM 0 HD13 LEU A 18 6.219 -6.013 10.279 1.00 0.53 H new ATOM 0 HD21 LEU A 18 4.259 -7.181 8.219 1.00 0.58 H new ATOM 0 HD22 LEU A 18 3.880 -7.023 9.951 1.00 0.58 H new ATOM 0 HD23 LEU A 18 2.804 -6.296 8.734 1.00 0.58 H new ATOM 311 N LEU A 19 4.020 -2.475 7.855 1.00 0.30 N ATOM 312 CA LEU A 19 4.135 -1.978 6.487 1.00 0.27 C ATOM 313 C LEU A 19 4.605 -0.530 6.468 1.00 0.22 C ATOM 314 O LEU A 19 5.464 -0.167 5.666 1.00 0.22 O ATOM 315 CB LEU A 19 2.763 -2.061 5.814 1.00 0.31 C ATOM 316 CG LEU A 19 2.563 -3.163 4.772 1.00 0.57 C ATOM 317 CD1 LEU A 19 3.136 -4.491 5.239 1.00 1.23 C ATOM 318 CD2 LEU A 19 1.080 -3.304 4.476 1.00 1.15 C ATOM 0 H LEU A 19 3.107 -2.876 8.070 1.00 0.30 H new ATOM 0 HA LEU A 19 4.866 -2.588 5.956 1.00 0.27 H new ATOM 0 HB2 LEU A 19 2.012 -2.192 6.593 1.00 0.31 H new ATOM 0 HB3 LEU A 19 2.563 -1.102 5.335 1.00 0.31 H new ATOM 0 HG LEU A 19 3.099 -2.882 3.865 1.00 0.57 H new ATOM 0 HD11 LEU A 19 2.974 -5.247 4.471 1.00 1.23 H new ATOM 0 HD12 LEU A 19 4.205 -4.382 5.421 1.00 1.23 H new ATOM 0 HD13 LEU A 19 2.640 -4.797 6.160 1.00 1.23 H new ATOM 0 HD21 LEU A 19 0.930 -4.088 3.734 1.00 1.15 H new ATOM 0 HD22 LEU A 19 0.549 -3.565 5.392 1.00 1.15 H new ATOM 0 HD23 LEU A 19 0.695 -2.360 4.090 1.00 1.15 H new ATOM 330 N ASN A 20 4.036 0.281 7.358 1.00 0.20 N ATOM 331 CA ASN A 20 4.390 1.691 7.473 1.00 0.19 C ATOM 332 C ASN A 20 5.892 1.825 7.583 1.00 0.21 C ATOM 333 O ASN A 20 6.539 2.252 6.642 1.00 0.22 O ATOM 334 CB ASN A 20 3.724 2.311 8.708 1.00 0.23 C ATOM 335 CG ASN A 20 3.843 3.819 8.761 1.00 0.32 C ATOM 336 OD1 ASN A 20 2.982 4.531 8.247 1.00 0.94 O ATOM 337 ND2 ASN A 20 4.886 4.319 9.401 1.00 0.50 N ATOM 0 H ASN A 20 3.319 -0.021 8.017 1.00 0.20 H new ATOM 0 HA ASN A 20 4.039 2.218 6.586 1.00 0.19 H new ATOM 0 HB2 ASN A 20 2.669 2.036 8.719 1.00 0.23 H new ATOM 0 HB3 ASN A 20 4.173 1.887 9.606 1.00 0.23 H new ATOM 0 HD21 ASN A 20 4.998 5.330 9.482 1.00 0.50 H new ATOM 0 HD22 ASN A 20 5.579 3.694 9.814 1.00 0.50 H new ATOM 344 N GLU A 21 6.440 1.402 8.714 1.00 0.24 N ATOM 345 CA GLU A 21 7.877 1.492 8.954 1.00 0.29 C ATOM 346 C GLU A 21 8.689 0.809 7.855 1.00 0.29 C ATOM 347 O GLU A 21 9.723 1.326 7.454 1.00 0.31 O ATOM 348 CB GLU A 21 8.229 0.876 10.305 1.00 0.35 C ATOM 349 CG GLU A 21 7.574 1.581 11.475 1.00 0.92 C ATOM 350 CD GLU A 21 7.919 3.052 11.525 1.00 1.79 C ATOM 351 OE1 GLU A 21 9.068 3.383 11.886 1.00 2.40 O ATOM 352 OE2 GLU A 21 7.044 3.883 11.204 1.00 2.46 O ATOM 0 H GLU A 21 5.911 0.992 9.483 1.00 0.24 H new ATOM 0 HA GLU A 21 8.135 2.551 8.952 1.00 0.29 H new ATOM 0 HB2 GLU A 21 7.929 -0.172 10.308 1.00 0.35 H new ATOM 0 HB3 GLU A 21 9.311 0.899 10.436 1.00 0.35 H new ATOM 0 HG2 GLU A 21 6.492 1.466 11.406 1.00 0.92 H new ATOM 0 HG3 GLU A 21 7.887 1.105 12.404 1.00 0.92 H new ATOM 359 N VAL A 22 8.217 -0.335 7.367 1.00 0.28 N ATOM 360 CA VAL A 22 8.955 -1.093 6.356 1.00 0.30 C ATOM 361 C VAL A 22 9.223 -0.263 5.093 1.00 0.28 C ATOM 362 O VAL A 22 10.374 -0.133 4.668 1.00 0.34 O ATOM 363 CB VAL A 22 8.236 -2.414 5.982 1.00 0.32 C ATOM 364 CG1 VAL A 22 8.843 -3.010 4.725 1.00 0.36 C ATOM 365 CG2 VAL A 22 8.347 -3.417 7.120 1.00 0.37 C ATOM 0 H VAL A 22 7.333 -0.757 7.652 1.00 0.28 H new ATOM 0 HA VAL A 22 9.915 -1.343 6.808 1.00 0.30 H new ATOM 0 HB VAL A 22 7.185 -2.190 5.801 1.00 0.32 H new ATOM 0 HG11 VAL A 22 8.327 -3.937 4.476 1.00 0.36 H new ATOM 0 HG12 VAL A 22 8.739 -2.304 3.901 1.00 0.36 H new ATOM 0 HG13 VAL A 22 9.900 -3.217 4.894 1.00 0.36 H new ATOM 0 HG21 VAL A 22 7.837 -4.340 6.843 1.00 0.37 H new ATOM 0 HG22 VAL A 22 9.398 -3.628 7.318 1.00 0.37 H new ATOM 0 HG23 VAL A 22 7.885 -3.003 8.016 1.00 0.37 H new ATOM 375 N PHE A 23 8.179 0.312 4.503 1.00 0.23 N ATOM 376 CA PHE A 23 8.346 1.126 3.304 1.00 0.22 C ATOM 377 C PHE A 23 8.883 2.477 3.692 1.00 0.21 C ATOM 378 O PHE A 23 9.746 3.029 3.015 1.00 0.23 O ATOM 379 CB PHE A 23 7.028 1.333 2.571 1.00 0.21 C ATOM 380 CG PHE A 23 6.153 0.118 2.482 1.00 0.26 C ATOM 381 CD1 PHE A 23 6.689 -1.095 2.082 1.00 0.35 C ATOM 382 CD2 PHE A 23 4.812 0.178 2.805 1.00 0.27 C ATOM 383 CE1 PHE A 23 5.901 -2.221 2.005 1.00 0.43 C ATOM 384 CE2 PHE A 23 4.021 -0.948 2.729 1.00 0.35 C ATOM 385 CZ PHE A 23 4.512 -2.107 2.307 1.00 0.41 C ATOM 0 H PHE A 23 7.217 0.231 4.832 1.00 0.23 H new ATOM 0 HA PHE A 23 9.035 0.600 2.643 1.00 0.22 H new ATOM 0 HB2 PHE A 23 6.472 2.126 3.071 1.00 0.21 H new ATOM 0 HB3 PHE A 23 7.243 1.682 1.561 1.00 0.21 H new ATOM 0 HD1 PHE A 23 7.737 -1.158 1.828 1.00 0.35 H new ATOM 0 HD2 PHE A 23 4.379 1.116 3.120 1.00 0.27 H new ATOM 0 HE1 PHE A 23 6.326 -3.172 1.721 1.00 0.43 H new ATOM 0 HE2 PHE A 23 2.982 -0.886 3.018 1.00 0.35 H new ATOM 0 HZ PHE A 23 3.861 -2.961 2.193 1.00 0.41 H new ATOM 395 N ASN A 24 8.366 2.998 4.795 1.00 0.19 N ATOM 396 CA ASN A 24 8.742 4.309 5.274 1.00 0.19 C ATOM 397 C ASN A 24 10.255 4.390 5.339 1.00 0.24 C ATOM 398 O ASN A 24 10.873 5.329 4.845 1.00 0.24 O ATOM 399 CB ASN A 24 8.131 4.561 6.660 1.00 0.21 C ATOM 400 CG ASN A 24 8.023 6.032 6.976 1.00 0.23 C ATOM 401 OD1 ASN A 24 6.861 6.601 6.692 1.00 0.28 O flip ATOM 402 ND2 ASN A 24 8.964 6.644 7.485 1.00 0.26 N flip ATOM 0 H ASN A 24 7.677 2.522 5.377 1.00 0.19 H new ATOM 0 HA ASN A 24 8.366 5.073 4.594 1.00 0.19 H new ATOM 0 HB2 ASN A 24 7.141 4.107 6.707 1.00 0.21 H new ATOM 0 HB3 ASN A 24 8.742 4.072 7.419 1.00 0.21 H new ATOM 0 HD21 ASN A 24 9.839 6.160 7.684 1.00 0.26 H new ATOM 0 HD22 ASN A 24 8.868 7.635 7.707 1.00 0.26 H new ATOM 409 N LYS A 25 10.814 3.312 5.873 1.00 0.32 N ATOM 410 CA LYS A 25 12.251 3.143 6.089 1.00 0.41 C ATOM 411 C LYS A 25 13.037 3.323 4.798 1.00 0.41 C ATOM 412 O LYS A 25 14.075 3.983 4.785 1.00 0.47 O ATOM 413 CB LYS A 25 12.507 1.747 6.680 1.00 0.51 C ATOM 414 CG LYS A 25 13.964 1.332 6.739 1.00 0.59 C ATOM 415 CD LYS A 25 14.312 0.473 5.537 1.00 1.02 C ATOM 416 CE LYS A 25 13.672 -0.904 5.623 1.00 2.32 C ATOM 417 NZ LYS A 25 13.974 -1.735 4.426 1.00 3.25 N ATOM 0 H LYS A 25 10.268 2.506 6.178 1.00 0.32 H new ATOM 0 HA LYS A 25 12.592 3.910 6.785 1.00 0.41 H new ATOM 0 HB2 LYS A 25 12.095 1.715 7.689 1.00 0.51 H new ATOM 0 HB3 LYS A 25 11.960 1.013 6.089 1.00 0.51 H new ATOM 0 HG2 LYS A 25 14.601 2.216 6.760 1.00 0.59 H new ATOM 0 HG3 LYS A 25 14.155 0.779 7.658 1.00 0.59 H new ATOM 0 HD2 LYS A 25 13.981 0.971 4.626 1.00 1.02 H new ATOM 0 HD3 LYS A 25 15.395 0.367 5.467 1.00 1.02 H new ATOM 0 HE2 LYS A 25 14.029 -1.414 6.518 1.00 2.32 H new ATOM 0 HE3 LYS A 25 12.592 -0.796 5.726 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 13.296 -2.522 4.370 1.00 3.25 H new ATOM 0 HZ2 LYS A 25 13.897 -1.150 3.569 1.00 3.25 H new ATOM 0 HZ3 LYS A 25 14.940 -2.114 4.501 1.00 3.25 H new ATOM 431 N GLU A 26 12.537 2.727 3.719 1.00 0.42 N ATOM 432 CA GLU A 26 13.162 2.851 2.404 1.00 0.53 C ATOM 433 C GLU A 26 13.280 4.313 2.044 1.00 0.45 C ATOM 434 O GLU A 26 14.222 4.763 1.391 1.00 0.66 O ATOM 435 CB GLU A 26 12.292 2.199 1.355 1.00 0.91 C ATOM 436 CG GLU A 26 11.692 0.902 1.806 1.00 0.40 C ATOM 437 CD GLU A 26 12.478 -0.300 1.327 1.00 0.79 C ATOM 438 OE1 GLU A 26 12.187 -0.786 0.215 1.00 1.43 O ATOM 439 OE2 GLU A 26 13.368 -0.779 2.060 1.00 1.45 O ATOM 0 H GLU A 26 11.696 2.150 3.729 1.00 0.42 H new ATOM 0 HA GLU A 26 14.141 2.373 2.439 1.00 0.53 H new ATOM 0 HB2 GLU A 26 11.491 2.885 1.079 1.00 0.91 H new ATOM 0 HB3 GLU A 26 12.886 2.024 0.458 1.00 0.91 H new ATOM 0 HG2 GLU A 26 11.642 0.888 2.895 1.00 0.40 H new ATOM 0 HG3 GLU A 26 10.668 0.832 1.439 1.00 0.40 H new ATOM 446 N GLY A 27 12.279 5.030 2.494 1.00 0.38 N ATOM 447 CA GLY A 27 12.118 6.410 2.162 1.00 0.44 C ATOM 448 C GLY A 27 10.662 6.759 2.113 1.00 0.37 C ATOM 449 O GLY A 27 10.300 7.927 2.225 1.00 0.44 O ATOM 0 H GLY A 27 11.551 4.661 3.106 1.00 0.38 H new ATOM 0 HA2 GLY A 27 12.625 7.032 2.900 1.00 0.44 H new ATOM 0 HA3 GLY A 27 12.583 6.617 1.198 1.00 0.44 H new ATOM 453 N TYR A 28 9.822 5.725 2.012 1.00 0.26 N ATOM 454 CA TYR A 28 8.439 5.910 1.610 1.00 0.24 C ATOM 455 C TYR A 28 7.650 6.737 2.596 1.00 0.24 C ATOM 456 O TYR A 28 7.736 6.540 3.801 1.00 0.41 O ATOM 457 CB TYR A 28 7.761 4.563 1.395 1.00 0.25 C ATOM 458 CG TYR A 28 8.149 3.900 0.089 1.00 0.40 C ATOM 459 CD1 TYR A 28 7.447 4.141 -1.087 1.00 0.58 C ATOM 460 CD2 TYR A 28 9.239 3.044 0.032 1.00 0.57 C ATOM 461 CE1 TYR A 28 7.823 3.544 -2.278 1.00 0.78 C ATOM 462 CE2 TYR A 28 9.623 2.449 -1.152 1.00 0.77 C ATOM 463 CZ TYR A 28 8.913 2.699 -2.303 1.00 0.87 C ATOM 464 OH TYR A 28 9.304 2.114 -3.481 1.00 1.07 O ATOM 0 H TYR A 28 10.081 4.757 2.204 1.00 0.26 H new ATOM 0 HA TYR A 28 8.457 6.462 0.671 1.00 0.24 H new ATOM 0 HB2 TYR A 28 8.016 3.899 2.221 1.00 0.25 H new ATOM 0 HB3 TYR A 28 6.680 4.700 1.418 1.00 0.25 H new ATOM 0 HD1 TYR A 28 6.595 4.804 -1.071 1.00 0.58 H new ATOM 0 HD2 TYR A 28 9.798 2.839 0.933 1.00 0.57 H new ATOM 0 HE1 TYR A 28 7.266 3.739 -3.183 1.00 0.78 H new ATOM 0 HE2 TYR A 28 10.478 1.789 -1.175 1.00 0.77 H new ATOM 0 HH TYR A 28 10.283 2.083 -3.522 1.00 1.07 H new ATOM 474 N GLN A 29 6.882 7.675 2.077 1.00 0.17 N ATOM 475 CA GLN A 29 6.005 8.449 2.903 1.00 0.16 C ATOM 476 C GLN A 29 4.717 7.683 3.102 1.00 0.12 C ATOM 477 O GLN A 29 3.714 7.933 2.435 1.00 0.13 O ATOM 478 CB GLN A 29 5.765 9.808 2.263 1.00 0.24 C ATOM 479 CG GLN A 29 7.057 10.604 2.123 1.00 0.30 C ATOM 480 CD GLN A 29 7.063 11.609 0.982 1.00 0.53 C ATOM 481 OE1 GLN A 29 7.659 11.214 -0.135 1.00 1.14 O flip ATOM 482 NE2 GLN A 29 6.596 12.737 1.121 1.00 0.53 N flip ATOM 0 H GLN A 29 6.855 7.912 1.085 1.00 0.17 H new ATOM 0 HA GLN A 29 6.454 8.623 3.881 1.00 0.16 H new ATOM 0 HB2 GLN A 29 5.313 9.672 1.280 1.00 0.24 H new ATOM 0 HB3 GLN A 29 5.054 10.373 2.865 1.00 0.24 H new ATOM 0 HG2 GLN A 29 7.244 11.134 3.057 1.00 0.30 H new ATOM 0 HG3 GLN A 29 7.883 9.908 1.980 1.00 0.30 H new ATOM 0 HE21 GLN A 29 6.146 12.998 1.998 1.00 0.53 H new ATOM 0 HE22 GLN A 29 6.658 13.412 0.359 1.00 0.53 H new ATOM 491 N THR A 30 4.774 6.698 3.979 1.00 0.11 N ATOM 492 CA THR A 30 3.643 5.835 4.208 1.00 0.10 C ATOM 493 C THR A 30 2.769 6.391 5.322 1.00 0.10 C ATOM 494 O THR A 30 3.276 6.843 6.348 1.00 0.14 O ATOM 495 CB THR A 30 4.114 4.425 4.591 1.00 0.11 C ATOM 496 OG1 THR A 30 4.554 4.405 5.949 1.00 0.14 O ATOM 497 CG2 THR A 30 5.274 3.979 3.720 1.00 0.12 C ATOM 0 H THR A 30 5.596 6.480 4.543 1.00 0.11 H new ATOM 0 HA THR A 30 3.064 5.784 3.286 1.00 0.10 H new ATOM 0 HB THR A 30 3.269 3.751 4.450 1.00 0.11 H new ATOM 0 HG1 THR A 30 5.253 5.080 6.076 1.00 0.14 H new ATOM 0 HG21 THR A 30 5.586 2.977 4.015 1.00 0.12 H new ATOM 0 HG22 THR A 30 4.962 3.970 2.676 1.00 0.12 H new ATOM 0 HG23 THR A 30 6.108 4.670 3.843 1.00 0.12 H new ATOM 505 N PHE A 31 1.459 6.371 5.122 1.00 0.09 N ATOM 506 CA PHE A 31 0.550 6.832 6.135 1.00 0.09 C ATOM 507 C PHE A 31 -0.501 5.798 6.384 1.00 0.10 C ATOM 508 O PHE A 31 -1.121 5.248 5.474 1.00 0.19 O ATOM 509 CB PHE A 31 -0.068 8.174 5.801 1.00 0.11 C ATOM 510 CG PHE A 31 0.755 9.321 6.317 1.00 0.17 C ATOM 511 CD1 PHE A 31 1.928 9.694 5.681 1.00 0.20 C ATOM 512 CD2 PHE A 31 0.366 10.011 7.454 1.00 0.27 C ATOM 513 CE1 PHE A 31 2.695 10.735 6.167 1.00 0.26 C ATOM 514 CE2 PHE A 31 1.128 11.054 7.943 1.00 0.34 C ATOM 515 CZ PHE A 31 2.294 11.416 7.299 1.00 0.30 C ATOM 0 H PHE A 31 1.013 6.040 4.267 1.00 0.09 H new ATOM 0 HA PHE A 31 1.126 6.984 7.048 1.00 0.09 H new ATOM 0 HB2 PHE A 31 -0.176 8.264 4.720 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -1.070 8.227 6.227 1.00 0.11 H new ATOM 0 HD1 PHE A 31 2.246 9.165 4.795 1.00 0.20 H new ATOM 0 HD2 PHE A 31 -0.544 9.730 7.964 1.00 0.27 H new ATOM 0 HE1 PHE A 31 3.607 11.016 5.662 1.00 0.26 H new ATOM 0 HE2 PHE A 31 0.812 11.586 8.828 1.00 0.34 H new ATOM 0 HZ PHE A 31 2.892 12.231 7.680 1.00 0.30 H new ATOM 525 N GLN A 32 -0.651 5.533 7.636 1.00 0.12 N ATOM 526 CA GLN A 32 -1.463 4.462 8.126 1.00 0.10 C ATOM 527 C GLN A 32 -2.936 4.881 8.291 1.00 0.09 C ATOM 528 O GLN A 32 -3.261 5.807 9.031 1.00 0.12 O ATOM 529 CB GLN A 32 -0.849 4.014 9.451 1.00 0.12 C ATOM 530 CG GLN A 32 -0.226 5.147 10.242 1.00 0.14 C ATOM 531 CD GLN A 32 0.547 4.653 11.446 1.00 0.18 C ATOM 532 OE1 GLN A 32 1.830 4.380 11.244 1.00 0.22 O flip ATOM 533 NE2 GLN A 32 0.002 4.514 12.537 1.00 0.19 N flip ATOM 0 H GLN A 32 -0.199 6.071 8.375 1.00 0.12 H new ATOM 0 HA GLN A 32 -1.478 3.639 7.411 1.00 0.10 H new ATOM 0 HB2 GLN A 32 -1.620 3.539 10.058 1.00 0.12 H new ATOM 0 HB3 GLN A 32 -0.089 3.258 9.253 1.00 0.12 H new ATOM 0 HG2 GLN A 32 0.441 5.715 9.594 1.00 0.14 H new ATOM 0 HG3 GLN A 32 -1.009 5.830 10.571 1.00 0.14 H new ATOM 0 HE21 GLN A 32 -0.988 4.737 12.645 1.00 0.19 H new ATOM 0 HE22 GLN A 32 0.539 4.176 13.336 1.00 0.19 H new ATOM 542 N ALA A 33 -3.814 4.173 7.594 1.00 0.09 N ATOM 543 CA ALA A 33 -5.259 4.370 7.679 1.00 0.08 C ATOM 544 C ALA A 33 -5.914 3.076 8.101 1.00 0.11 C ATOM 545 O ALA A 33 -5.528 2.013 7.651 1.00 0.23 O ATOM 546 CB ALA A 33 -5.813 4.835 6.337 1.00 0.10 C ATOM 0 H ALA A 33 -3.542 3.435 6.944 1.00 0.09 H new ATOM 0 HA ALA A 33 -5.475 5.141 8.419 1.00 0.08 H new ATOM 0 HB1 ALA A 33 -6.891 4.977 6.418 1.00 0.10 H new ATOM 0 HB2 ALA A 33 -5.343 5.777 6.056 1.00 0.10 H new ATOM 0 HB3 ALA A 33 -5.602 4.083 5.576 1.00 0.10 H new ATOM 552 N ALA A 34 -6.880 3.150 8.990 1.00 0.09 N ATOM 553 CA ALA A 34 -7.577 1.948 9.410 1.00 0.10 C ATOM 554 C ALA A 34 -8.834 1.769 8.602 1.00 0.12 C ATOM 555 O ALA A 34 -9.463 0.715 8.637 1.00 0.18 O ATOM 556 CB ALA A 34 -7.916 1.991 10.884 1.00 0.14 C ATOM 0 H ALA A 34 -7.199 4.012 9.431 1.00 0.09 H new ATOM 0 HA ALA A 34 -6.912 1.101 9.240 1.00 0.10 H new ATOM 0 HB1 ALA A 34 -8.437 1.076 11.164 1.00 0.14 H new ATOM 0 HB2 ALA A 34 -6.999 2.079 11.466 1.00 0.14 H new ATOM 0 HB3 ALA A 34 -8.557 2.849 11.085 1.00 0.14 H new ATOM 562 N ASN A 35 -9.207 2.810 7.880 1.00 0.10 N ATOM 563 CA ASN A 35 -10.439 2.776 7.130 1.00 0.13 C ATOM 564 C ASN A 35 -10.347 3.606 5.872 1.00 0.10 C ATOM 565 O ASN A 35 -9.435 4.406 5.722 1.00 0.08 O ATOM 566 CB ASN A 35 -11.605 3.227 8.009 1.00 0.17 C ATOM 567 CG ASN A 35 -11.243 4.440 8.843 1.00 0.20 C ATOM 568 OD1 ASN A 35 -11.620 5.613 8.379 1.00 0.29 O flip ATOM 569 ND2 ASN A 35 -10.648 4.316 9.911 1.00 0.19 N flip ATOM 0 H ASN A 35 -8.678 3.678 7.800 1.00 0.10 H new ATOM 0 HA ASN A 35 -10.619 1.747 6.820 1.00 0.13 H new ATOM 0 HB2 ASN A 35 -12.465 3.461 7.381 1.00 0.17 H new ATOM 0 HB3 ASN A 35 -11.903 2.410 8.666 1.00 0.17 H new ATOM 0 HD21 ASN A 35 -10.372 3.390 10.237 1.00 0.19 H new ATOM 0 HD22 ASN A 35 -10.430 5.140 10.472 1.00 0.19 H new ATOM 576 N GLY A 36 -11.312 3.413 4.988 1.00 0.12 N ATOM 577 CA GLY A 36 -11.296 4.040 3.675 1.00 0.14 C ATOM 578 C GLY A 36 -11.499 5.531 3.721 1.00 0.11 C ATOM 579 O GLY A 36 -11.137 6.242 2.790 1.00 0.13 O ATOM 0 H GLY A 36 -12.125 2.821 5.158 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -10.344 3.825 3.190 1.00 0.14 H new ATOM 0 HA3 GLY A 36 -12.076 3.594 3.058 1.00 0.14 H new ATOM 583 N LEU A 37 -12.068 6.008 4.805 1.00 0.11 N ATOM 584 CA LEU A 37 -12.295 7.434 4.973 1.00 0.13 C ATOM 585 C LEU A 37 -11.033 8.065 5.427 1.00 0.10 C ATOM 586 O LEU A 37 -10.627 9.126 4.961 1.00 0.11 O ATOM 587 CB LEU A 37 -13.312 7.696 6.052 1.00 0.17 C ATOM 588 CG LEU A 37 -14.771 7.352 5.729 1.00 0.23 C ATOM 589 CD1 LEU A 37 -15.162 7.893 4.360 1.00 0.27 C ATOM 590 CD2 LEU A 37 -15.004 5.851 5.808 1.00 0.28 C ATOM 0 H LEU A 37 -12.384 5.433 5.586 1.00 0.11 H new ATOM 0 HA LEU A 37 -12.644 7.834 4.021 1.00 0.13 H new ATOM 0 HB2 LEU A 37 -13.019 7.133 6.938 1.00 0.17 H new ATOM 0 HB3 LEU A 37 -13.263 8.753 6.315 1.00 0.17 H new ATOM 0 HG LEU A 37 -15.406 7.830 6.475 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -16.201 7.638 4.151 1.00 0.27 H new ATOM 0 HD12 LEU A 37 -15.046 8.977 4.350 1.00 0.27 H new ATOM 0 HD13 LEU A 37 -14.520 7.452 3.598 1.00 0.27 H new ATOM 0 HD21 LEU A 37 -16.046 5.632 5.575 1.00 0.28 H new ATOM 0 HD22 LEU A 37 -14.358 5.344 5.091 1.00 0.28 H new ATOM 0 HD23 LEU A 37 -14.776 5.500 6.814 1.00 0.28 H new ATOM 602 N GLN A 38 -10.428 7.375 6.358 1.00 0.10 N ATOM 603 CA GLN A 38 -9.167 7.765 6.877 1.00 0.11 C ATOM 604 C GLN A 38 -8.204 7.690 5.723 1.00 0.10 C ATOM 605 O GLN A 38 -7.372 8.553 5.544 1.00 0.15 O ATOM 606 CB GLN A 38 -8.788 6.841 8.040 1.00 0.19 C ATOM 607 CG GLN A 38 -7.334 6.891 8.417 1.00 0.36 C ATOM 608 CD GLN A 38 -7.096 7.117 9.898 1.00 0.67 C ATOM 609 OE1 GLN A 38 -7.921 7.710 10.594 1.00 0.99 O ATOM 610 NE2 GLN A 38 -5.951 6.663 10.383 1.00 1.29 N ATOM 0 H GLN A 38 -10.808 6.524 6.772 1.00 0.10 H new ATOM 0 HA GLN A 38 -9.165 8.776 7.285 1.00 0.11 H new ATOM 0 HB2 GLN A 38 -9.387 7.107 8.911 1.00 0.19 H new ATOM 0 HB3 GLN A 38 -9.048 5.816 7.775 1.00 0.19 H new ATOM 0 HG2 GLN A 38 -6.858 5.956 8.120 1.00 0.36 H new ATOM 0 HG3 GLN A 38 -6.849 7.688 7.854 1.00 0.36 H new ATOM 0 HE21 GLN A 38 -5.295 6.177 9.772 1.00 1.29 H new ATOM 0 HE22 GLN A 38 -5.725 6.799 11.368 1.00 1.29 H new ATOM 619 N ALA A 39 -8.436 6.693 4.880 1.00 0.10 N ATOM 620 CA ALA A 39 -7.650 6.494 3.681 1.00 0.12 C ATOM 621 C ALA A 39 -7.832 7.647 2.709 1.00 0.11 C ATOM 622 O ALA A 39 -6.862 8.167 2.161 1.00 0.13 O ATOM 623 CB ALA A 39 -8.009 5.180 3.011 1.00 0.14 C ATOM 0 H ALA A 39 -9.175 6.003 5.012 1.00 0.10 H new ATOM 0 HA ALA A 39 -6.601 6.458 3.976 1.00 0.12 H new ATOM 0 HB1 ALA A 39 -7.405 5.053 2.112 1.00 0.14 H new ATOM 0 HB2 ALA A 39 -7.815 4.356 3.698 1.00 0.14 H new ATOM 0 HB3 ALA A 39 -9.065 5.186 2.741 1.00 0.14 H new ATOM 629 N LEU A 40 -9.085 8.031 2.499 1.00 0.11 N ATOM 630 CA LEU A 40 -9.421 9.179 1.675 1.00 0.12 C ATOM 631 C LEU A 40 -8.659 10.392 2.177 1.00 0.13 C ATOM 632 O LEU A 40 -8.018 11.116 1.412 1.00 0.17 O ATOM 633 CB LEU A 40 -10.923 9.440 1.771 1.00 0.13 C ATOM 634 CG LEU A 40 -11.605 9.842 0.460 1.00 0.37 C ATOM 635 CD1 LEU A 40 -11.149 11.222 0.006 1.00 0.97 C ATOM 636 CD2 LEU A 40 -11.323 8.807 -0.620 1.00 0.19 C ATOM 0 H LEU A 40 -9.894 7.554 2.896 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.151 8.985 0.637 1.00 0.12 H new ATOM 0 HB2 LEU A 40 -11.407 8.541 2.152 1.00 0.13 H new ATOM 0 HB3 LEU A 40 -11.091 10.228 2.505 1.00 0.13 H new ATOM 0 HG LEU A 40 -12.680 9.884 0.635 1.00 0.37 H new ATOM 0 HD11 LEU A 40 -11.649 11.482 -0.927 1.00 0.97 H new ATOM 0 HD12 LEU A 40 -11.401 11.958 0.770 1.00 0.97 H new ATOM 0 HD13 LEU A 40 -10.070 11.216 -0.150 1.00 0.97 H new ATOM 0 HD21 LEU A 40 -11.814 9.105 -1.547 1.00 0.19 H new ATOM 0 HD22 LEU A 40 -10.248 8.737 -0.785 1.00 0.19 H new ATOM 0 HD23 LEU A 40 -11.705 7.837 -0.303 1.00 0.19 H new ATOM 648 N ASP A 41 -8.734 10.575 3.483 1.00 0.12 N ATOM 649 CA ASP A 41 -8.022 11.628 4.171 1.00 0.13 C ATOM 650 C ASP A 41 -6.524 11.528 3.924 1.00 0.09 C ATOM 651 O ASP A 41 -5.865 12.532 3.676 1.00 0.11 O ATOM 652 CB ASP A 41 -8.313 11.533 5.665 1.00 0.20 C ATOM 653 CG ASP A 41 -7.396 12.407 6.506 1.00 0.72 C ATOM 654 OD1 ASP A 41 -7.713 13.604 6.677 1.00 0.87 O ATOM 655 OD2 ASP A 41 -6.359 11.908 7.005 1.00 1.32 O ATOM 0 H ASP A 41 -9.298 9.989 4.099 1.00 0.12 H new ATOM 0 HA ASP A 41 -8.360 12.591 3.787 1.00 0.13 H new ATOM 0 HB2 ASP A 41 -9.348 11.822 5.847 1.00 0.20 H new ATOM 0 HB3 ASP A 41 -8.211 10.496 5.984 1.00 0.20 H new ATOM 660 N ILE A 42 -5.987 10.316 3.978 1.00 0.10 N ATOM 661 CA ILE A 42 -4.564 10.125 3.777 1.00 0.10 C ATOM 662 C ILE A 42 -4.165 10.545 2.366 1.00 0.10 C ATOM 663 O ILE A 42 -3.155 11.213 2.174 1.00 0.13 O ATOM 664 CB ILE A 42 -4.106 8.669 3.955 1.00 0.12 C ATOM 665 CG1 ILE A 42 -4.714 7.963 5.177 1.00 0.14 C ATOM 666 CG2 ILE A 42 -2.594 8.624 4.025 1.00 0.12 C ATOM 667 CD1 ILE A 42 -4.458 8.615 6.510 1.00 0.12 C ATOM 0 H ILE A 42 -6.513 9.461 4.158 1.00 0.10 H new ATOM 0 HA ILE A 42 -4.084 10.739 4.539 1.00 0.10 H new ATOM 0 HB ILE A 42 -4.471 8.120 3.087 1.00 0.12 H new ATOM 0 HG12 ILE A 42 -5.792 7.891 5.031 1.00 0.14 H new ATOM 0 HG13 ILE A 42 -4.328 6.944 5.213 1.00 0.14 H new ATOM 0 HG21 ILE A 42 -2.266 7.592 4.151 1.00 0.12 H new ATOM 0 HG22 ILE A 42 -2.175 9.028 3.103 1.00 0.12 H new ATOM 0 HG23 ILE A 42 -2.251 9.220 4.871 1.00 0.12 H new ATOM 0 HD11 ILE A 42 -4.933 8.031 7.298 1.00 0.12 H new ATOM 0 HD12 ILE A 42 -3.384 8.663 6.691 1.00 0.12 H new ATOM 0 HD13 ILE A 42 -4.871 9.624 6.507 1.00 0.12 H new ATOM 679 N VAL A 43 -4.946 10.134 1.373 1.00 0.11 N ATOM 680 CA VAL A 43 -4.667 10.515 -0.006 1.00 0.12 C ATOM 681 C VAL A 43 -4.725 12.022 -0.139 1.00 0.12 C ATOM 682 O VAL A 43 -3.899 12.639 -0.784 1.00 0.15 O ATOM 683 CB VAL A 43 -5.664 9.911 -1.009 1.00 0.13 C ATOM 684 CG1 VAL A 43 -5.252 10.253 -2.431 1.00 0.14 C ATOM 685 CG2 VAL A 43 -5.781 8.411 -0.836 1.00 0.15 C ATOM 0 H VAL A 43 -5.769 9.543 1.495 1.00 0.11 H new ATOM 0 HA VAL A 43 -3.674 10.129 -0.239 1.00 0.12 H new ATOM 0 HB VAL A 43 -6.644 10.345 -0.812 1.00 0.13 H new ATOM 0 HG11 VAL A 43 -5.966 9.819 -3.131 1.00 0.14 H new ATOM 0 HG12 VAL A 43 -5.235 11.336 -2.554 1.00 0.14 H new ATOM 0 HG13 VAL A 43 -4.259 9.849 -2.629 1.00 0.14 H new ATOM 0 HG21 VAL A 43 -6.493 8.016 -1.560 1.00 0.15 H new ATOM 0 HG22 VAL A 43 -4.807 7.949 -0.996 1.00 0.15 H new ATOM 0 HG23 VAL A 43 -6.127 8.187 0.173 1.00 0.15 H new ATOM 695 N THR A 44 -5.701 12.604 0.501 1.00 0.12 N ATOM 696 CA THR A 44 -5.907 14.029 0.439 1.00 0.15 C ATOM 697 C THR A 44 -4.803 14.783 1.198 1.00 0.14 C ATOM 698 O THR A 44 -4.516 15.946 0.907 1.00 0.16 O ATOM 699 CB THR A 44 -7.302 14.339 1.000 1.00 0.23 C ATOM 700 OG1 THR A 44 -8.021 15.181 0.092 1.00 0.39 O ATOM 701 CG2 THR A 44 -7.253 14.987 2.380 1.00 0.19 C ATOM 0 H THR A 44 -6.377 12.107 1.081 1.00 0.12 H new ATOM 0 HA THR A 44 -5.852 14.369 -0.595 1.00 0.15 H new ATOM 0 HB THR A 44 -7.818 13.385 1.112 1.00 0.23 H new ATOM 0 HG1 THR A 44 -8.910 15.372 0.457 1.00 0.39 H new ATOM 0 HG21 THR A 44 -8.268 15.183 2.726 1.00 0.19 H new ATOM 0 HG22 THR A 44 -6.755 14.316 3.080 1.00 0.19 H new ATOM 0 HG23 THR A 44 -6.702 15.925 2.322 1.00 0.19 H new ATOM 709 N LYS A 45 -4.177 14.101 2.152 1.00 0.13 N ATOM 710 CA LYS A 45 -3.151 14.703 2.989 1.00 0.14 C ATOM 711 C LYS A 45 -1.757 14.540 2.363 1.00 0.13 C ATOM 712 O LYS A 45 -0.994 15.502 2.266 1.00 0.15 O ATOM 713 CB LYS A 45 -3.240 14.077 4.397 1.00 0.19 C ATOM 714 CG LYS A 45 -2.279 12.930 4.675 1.00 0.39 C ATOM 715 CD LYS A 45 -2.808 12.013 5.761 1.00 1.12 C ATOM 716 CE LYS A 45 -2.794 12.687 7.114 1.00 1.54 C ATOM 717 NZ LYS A 45 -3.747 12.048 8.061 1.00 2.42 N ATOM 0 H LYS A 45 -4.367 13.121 2.364 1.00 0.13 H new ATOM 0 HA LYS A 45 -3.318 15.777 3.071 1.00 0.14 H new ATOM 0 HB2 LYS A 45 -3.063 14.860 5.134 1.00 0.19 H new ATOM 0 HB3 LYS A 45 -4.258 13.718 4.551 1.00 0.19 H new ATOM 0 HG2 LYS A 45 -2.119 12.358 3.761 1.00 0.39 H new ATOM 0 HG3 LYS A 45 -1.310 13.330 4.975 1.00 0.39 H new ATOM 0 HD2 LYS A 45 -3.825 11.708 5.516 1.00 1.12 H new ATOM 0 HD3 LYS A 45 -2.204 11.107 5.799 1.00 1.12 H new ATOM 0 HE2 LYS A 45 -1.787 12.647 7.529 1.00 1.54 H new ATOM 0 HE3 LYS A 45 -3.049 13.740 6.998 1.00 1.54 H new ATOM 0 HZ1 LYS A 45 -3.770 12.590 8.948 1.00 2.42 H new ATOM 0 HZ2 LYS A 45 -4.698 12.033 7.640 1.00 2.42 H new ATOM 0 HZ3 LYS A 45 -3.440 11.074 8.258 1.00 2.42 H new ATOM 731 N GLU A 46 -1.444 13.331 1.910 1.00 0.13 N ATOM 732 CA GLU A 46 -0.142 13.027 1.344 1.00 0.13 C ATOM 733 C GLU A 46 -0.226 12.829 -0.157 1.00 0.13 C ATOM 734 O GLU A 46 0.657 13.253 -0.895 1.00 0.16 O ATOM 735 CB GLU A 46 0.417 11.759 1.991 1.00 0.13 C ATOM 736 CG GLU A 46 0.809 11.953 3.444 1.00 0.19 C ATOM 737 CD GLU A 46 1.733 13.137 3.647 1.00 0.29 C ATOM 738 OE1 GLU A 46 2.896 13.075 3.188 1.00 0.54 O ATOM 739 OE2 GLU A 46 1.305 14.133 4.260 1.00 0.63 O ATOM 0 H GLU A 46 -2.086 12.539 1.926 1.00 0.13 H new ATOM 0 HA GLU A 46 0.518 13.871 1.543 1.00 0.13 H new ATOM 0 HB2 GLU A 46 -0.328 10.966 1.925 1.00 0.13 H new ATOM 0 HB3 GLU A 46 1.288 11.425 1.428 1.00 0.13 H new ATOM 0 HG2 GLU A 46 -0.091 12.092 4.043 1.00 0.19 H new ATOM 0 HG3 GLU A 46 1.298 11.049 3.808 1.00 0.19 H new ATOM 746 N ARG A 47 -1.309 12.201 -0.592 1.00 0.13 N ATOM 747 CA ARG A 47 -1.467 11.749 -1.974 1.00 0.15 C ATOM 748 C ARG A 47 -0.461 10.650 -2.272 1.00 0.12 C ATOM 749 O ARG A 47 0.486 10.852 -3.036 1.00 0.15 O ATOM 750 CB ARG A 47 -1.318 12.901 -2.985 1.00 0.20 C ATOM 751 CG ARG A 47 -2.296 14.043 -2.765 1.00 0.73 C ATOM 752 CD ARG A 47 -2.182 15.102 -3.845 1.00 1.00 C ATOM 753 NE ARG A 47 -2.640 14.618 -5.147 1.00 1.88 N ATOM 754 CZ ARG A 47 -2.607 15.345 -6.259 1.00 2.63 C ATOM 755 NH1 ARG A 47 -2.140 16.587 -6.226 1.00 2.81 N ATOM 756 NH2 ARG A 47 -3.046 14.827 -7.396 1.00 3.66 N ATOM 0 H ARG A 47 -2.109 11.988 0.004 1.00 0.13 H new ATOM 0 HA ARG A 47 -2.479 11.359 -2.082 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.301 13.290 -2.930 1.00 0.20 H new ATOM 0 HB3 ARG A 47 -1.455 12.507 -3.992 1.00 0.20 H new ATOM 0 HG2 ARG A 47 -3.313 13.651 -2.747 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -2.111 14.496 -1.791 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -2.768 15.975 -3.558 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -1.144 15.426 -3.925 1.00 1.00 H new ATOM 0 HE ARG A 47 -3.006 13.668 -5.205 1.00 1.88 H new ATOM 0 HH11 ARG A 47 -1.807 16.983 -5.347 1.00 2.81 H new ATOM 0 HH12 ARG A 47 -2.115 17.145 -7.079 1.00 2.81 H new ATOM 0 HH21 ARG A 47 -3.408 13.873 -7.416 1.00 3.66 H new ATOM 0 HH22 ARG A 47 -3.022 15.382 -8.252 1.00 3.66 H new ATOM 770 N PRO A 48 -0.598 9.487 -1.605 1.00 0.11 N ATOM 771 CA PRO A 48 0.262 8.328 -1.870 1.00 0.11 C ATOM 772 C PRO A 48 0.074 7.791 -3.270 1.00 0.12 C ATOM 773 O PRO A 48 -0.943 8.048 -3.907 1.00 0.21 O ATOM 774 CB PRO A 48 -0.192 7.301 -0.821 1.00 0.14 C ATOM 775 CG PRO A 48 -0.750 8.169 0.253 1.00 0.15 C ATOM 776 CD PRO A 48 -1.538 9.204 -0.496 1.00 0.14 C ATOM 0 HA PRO A 48 1.322 8.574 -1.803 1.00 0.11 H new ATOM 0 HB2 PRO A 48 -0.940 6.616 -1.220 1.00 0.14 H new ATOM 0 HB3 PRO A 48 0.638 6.693 -0.462 1.00 0.14 H new ATOM 0 HG2 PRO A 48 -1.382 7.603 0.937 1.00 0.15 H new ATOM 0 HG3 PRO A 48 0.040 8.623 0.851 1.00 0.15 H new ATOM 0 HD2 PRO A 48 -2.497 8.824 -0.849 1.00 0.14 H new ATOM 0 HD3 PRO A 48 -1.748 10.086 0.108 1.00 0.14 H new ATOM 784 N ASP A 49 1.059 7.068 -3.761 1.00 0.11 N ATOM 785 CA ASP A 49 0.909 6.423 -5.043 1.00 0.14 C ATOM 786 C ASP A 49 0.412 5.020 -4.807 1.00 0.13 C ATOM 787 O ASP A 49 -0.439 4.529 -5.529 1.00 0.19 O ATOM 788 CB ASP A 49 2.218 6.377 -5.836 1.00 0.25 C ATOM 789 CG ASP A 49 2.848 7.741 -6.054 1.00 0.65 C ATOM 790 OD1 ASP A 49 3.488 8.269 -5.112 1.00 0.98 O ATOM 791 OD2 ASP A 49 2.686 8.302 -7.155 1.00 0.94 O ATOM 0 H ASP A 49 1.956 6.915 -3.300 1.00 0.11 H new ATOM 0 HA ASP A 49 0.201 7.002 -5.636 1.00 0.14 H new ATOM 0 HB2 ASP A 49 2.928 5.738 -5.311 1.00 0.25 H new ATOM 0 HB3 ASP A 49 2.029 5.915 -6.805 1.00 0.25 H new ATOM 796 N LEU A 50 0.927 4.401 -3.755 1.00 0.12 N ATOM 797 CA LEU A 50 0.623 3.014 -3.444 1.00 0.12 C ATOM 798 C LEU A 50 -0.146 2.924 -2.137 1.00 0.11 C ATOM 799 O LEU A 50 0.394 3.206 -1.067 1.00 0.12 O ATOM 800 CB LEU A 50 1.908 2.190 -3.328 1.00 0.13 C ATOM 801 CG LEU A 50 2.733 2.055 -4.608 1.00 0.18 C ATOM 802 CD1 LEU A 50 3.621 3.271 -4.810 1.00 0.26 C ATOM 803 CD2 LEU A 50 3.562 0.785 -4.569 1.00 0.20 C ATOM 0 H LEU A 50 1.565 4.845 -3.095 1.00 0.12 H new ATOM 0 HA LEU A 50 0.014 2.614 -4.255 1.00 0.12 H new ATOM 0 HB2 LEU A 50 2.537 2.640 -2.559 1.00 0.13 H new ATOM 0 HB3 LEU A 50 1.646 1.191 -2.981 1.00 0.13 H new ATOM 0 HG LEU A 50 2.048 1.995 -5.454 1.00 0.18 H new ATOM 0 HD11 LEU A 50 4.198 3.152 -5.727 1.00 0.26 H new ATOM 0 HD12 LEU A 50 3.002 4.165 -4.885 1.00 0.26 H new ATOM 0 HD13 LEU A 50 4.301 3.370 -3.964 1.00 0.26 H new ATOM 0 HD21 LEU A 50 4.144 0.702 -5.487 1.00 0.20 H new ATOM 0 HD22 LEU A 50 4.236 0.817 -3.713 1.00 0.20 H new ATOM 0 HD23 LEU A 50 2.902 -0.078 -4.479 1.00 0.20 H new ATOM 815 N VAL A 51 -1.402 2.540 -2.225 1.00 0.10 N ATOM 816 CA VAL A 51 -2.237 2.418 -1.049 1.00 0.10 C ATOM 817 C VAL A 51 -2.596 0.968 -0.778 1.00 0.10 C ATOM 818 O VAL A 51 -3.341 0.361 -1.524 1.00 0.13 O ATOM 819 CB VAL A 51 -3.534 3.213 -1.205 1.00 0.13 C ATOM 820 CG1 VAL A 51 -4.371 3.092 0.053 1.00 0.21 C ATOM 821 CG2 VAL A 51 -3.235 4.665 -1.542 1.00 0.16 C ATOM 0 H VAL A 51 -1.868 2.306 -3.102 1.00 0.10 H new ATOM 0 HA VAL A 51 -1.661 2.816 -0.214 1.00 0.10 H new ATOM 0 HB VAL A 51 -4.109 2.799 -2.033 1.00 0.13 H new ATOM 0 HG11 VAL A 51 -5.293 3.661 -0.067 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -4.612 2.044 0.230 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -3.811 3.484 0.902 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -4.171 5.214 -1.649 1.00 0.16 H new ATOM 0 HG22 VAL A 51 -2.643 5.110 -0.742 1.00 0.16 H new ATOM 0 HG23 VAL A 51 -2.677 4.714 -2.477 1.00 0.16 H new ATOM 831 N LEU A 52 -2.083 0.416 0.292 1.00 0.11 N ATOM 832 CA LEU A 52 -2.377 -0.956 0.637 1.00 0.11 C ATOM 833 C LEU A 52 -3.746 -1.037 1.275 1.00 0.11 C ATOM 834 O LEU A 52 -3.917 -0.809 2.464 1.00 0.13 O ATOM 835 CB LEU A 52 -1.292 -1.509 1.545 1.00 0.11 C ATOM 836 CG LEU A 52 0.111 -1.297 0.987 1.00 0.12 C ATOM 837 CD1 LEU A 52 0.779 -0.112 1.662 1.00 0.15 C ATOM 838 CD2 LEU A 52 0.948 -2.555 1.132 1.00 0.15 C ATOM 0 H LEU A 52 -1.459 0.894 0.942 1.00 0.11 H new ATOM 0 HA LEU A 52 -2.392 -1.570 -0.264 1.00 0.11 H new ATOM 0 HB2 LEU A 52 -1.365 -1.032 2.523 1.00 0.11 H new ATOM 0 HB3 LEU A 52 -1.460 -2.575 1.697 1.00 0.11 H new ATOM 0 HG LEU A 52 0.027 -1.077 -0.077 1.00 0.12 H new ATOM 0 HD11 LEU A 52 1.779 0.024 1.251 1.00 0.15 H new ATOM 0 HD12 LEU A 52 0.189 0.787 1.486 1.00 0.15 H new ATOM 0 HD13 LEU A 52 0.849 -0.296 2.734 1.00 0.15 H new ATOM 0 HD21 LEU A 52 1.944 -2.378 0.727 1.00 0.15 H new ATOM 0 HD22 LEU A 52 1.027 -2.820 2.186 1.00 0.15 H new ATOM 0 HD23 LEU A 52 0.475 -3.372 0.587 1.00 0.15 H new ATOM 850 N LEU A 53 -4.721 -1.308 0.438 1.00 0.16 N ATOM 851 CA LEU A 53 -6.108 -1.319 0.830 1.00 0.20 C ATOM 852 C LEU A 53 -6.498 -2.675 1.379 1.00 0.20 C ATOM 853 O LEU A 53 -6.804 -3.586 0.615 1.00 0.19 O ATOM 854 CB LEU A 53 -6.973 -1.012 -0.386 1.00 0.30 C ATOM 855 CG LEU A 53 -7.969 0.116 -0.214 1.00 0.51 C ATOM 856 CD1 LEU A 53 -8.756 -0.076 1.064 1.00 1.53 C ATOM 857 CD2 LEU A 53 -7.273 1.456 -0.218 1.00 0.90 C ATOM 0 H LEU A 53 -4.569 -1.529 -0.546 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.258 -0.567 1.605 1.00 0.20 H new ATOM 0 HB2 LEU A 53 -6.318 -0.770 -1.223 1.00 0.30 H new ATOM 0 HB3 LEU A 53 -7.518 -1.916 -0.659 1.00 0.30 H new ATOM 0 HG LEU A 53 -8.661 0.098 -1.056 1.00 0.51 H new ATOM 0 HD11 LEU A 53 -9.469 0.740 1.178 1.00 1.53 H new ATOM 0 HD12 LEU A 53 -9.293 -1.024 1.022 1.00 1.53 H new ATOM 0 HD13 LEU A 53 -8.074 -0.083 1.914 1.00 1.53 H new ATOM 0 HD21 LEU A 53 -8.010 2.249 -0.093 1.00 0.90 H new ATOM 0 HD22 LEU A 53 -6.555 1.495 0.601 1.00 0.90 H new ATOM 0 HD23 LEU A 53 -6.751 1.592 -1.165 1.00 0.90 H new ATOM 869 N ASP A 54 -6.487 -2.822 2.684 1.00 0.28 N ATOM 870 CA ASP A 54 -6.888 -4.081 3.273 1.00 0.35 C ATOM 871 C ASP A 54 -8.355 -4.352 2.965 1.00 0.37 C ATOM 872 O ASP A 54 -9.243 -3.595 3.362 1.00 0.63 O ATOM 873 CB ASP A 54 -6.650 -4.092 4.775 1.00 0.59 C ATOM 874 CG ASP A 54 -7.061 -5.404 5.394 1.00 1.03 C ATOM 875 OD1 ASP A 54 -8.271 -5.623 5.549 1.00 1.47 O ATOM 876 OD2 ASP A 54 -6.182 -6.230 5.704 1.00 1.33 O ATOM 0 H ASP A 54 -6.210 -2.100 3.349 1.00 0.28 H new ATOM 0 HA ASP A 54 -6.277 -4.871 2.837 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -5.595 -3.908 4.978 1.00 0.59 H new ATOM 0 HB3 ASP A 54 -7.210 -3.280 5.238 1.00 0.59 H new ATOM 881 N MET A 55 -8.596 -5.414 2.216 1.00 0.23 N ATOM 882 CA MET A 55 -9.949 -5.801 1.842 1.00 0.29 C ATOM 883 C MET A 55 -10.513 -6.826 2.818 1.00 0.35 C ATOM 884 O MET A 55 -11.576 -7.396 2.573 1.00 0.50 O ATOM 885 CB MET A 55 -9.986 -6.394 0.431 1.00 0.30 C ATOM 886 CG MET A 55 -9.430 -5.492 -0.660 1.00 0.32 C ATOM 887 SD MET A 55 -9.910 -6.048 -2.310 1.00 0.70 S ATOM 888 CE MET A 55 -11.678 -6.246 -2.101 1.00 0.94 C ATOM 0 H MET A 55 -7.868 -6.029 1.852 1.00 0.23 H new ATOM 0 HA MET A 55 -10.558 -4.897 1.870 1.00 0.29 H new ATOM 0 HB2 MET A 55 -9.424 -7.328 0.431 1.00 0.30 H new ATOM 0 HB3 MET A 55 -11.018 -6.643 0.185 1.00 0.30 H new ATOM 0 HG2 MET A 55 -9.785 -4.473 -0.504 1.00 0.32 H new ATOM 0 HG3 MET A 55 -8.343 -5.465 -0.589 1.00 0.32 H new ATOM 0 HE1 MET A 55 -12.159 -6.270 -3.079 1.00 0.94 H new ATOM 0 HE2 MET A 55 -11.880 -7.178 -1.574 1.00 0.94 H new ATOM 0 HE3 MET A 55 -12.072 -5.410 -1.523 1.00 0.94 H new ATOM 898 N LYS A 56 -9.792 -7.085 3.902 1.00 0.30 N ATOM 899 CA LYS A 56 -10.260 -8.020 4.916 1.00 0.35 C ATOM 900 C LYS A 56 -11.537 -7.541 5.594 1.00 0.34 C ATOM 901 O LYS A 56 -12.591 -8.157 5.437 1.00 0.44 O ATOM 902 CB LYS A 56 -9.185 -8.259 5.972 1.00 0.34 C ATOM 903 CG LYS A 56 -7.960 -8.979 5.435 1.00 0.46 C ATOM 904 CD LYS A 56 -8.327 -10.330 4.835 1.00 0.59 C ATOM 905 CE LYS A 56 -9.234 -11.122 5.763 1.00 1.26 C ATOM 906 NZ LYS A 56 -9.717 -12.381 5.142 1.00 2.24 N ATOM 0 H LYS A 56 -8.885 -6.663 4.101 1.00 0.30 H new ATOM 0 HA LYS A 56 -10.479 -8.955 4.400 1.00 0.35 H new ATOM 0 HB2 LYS A 56 -8.879 -7.301 6.391 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -9.611 -8.842 6.788 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -7.477 -8.362 4.677 1.00 0.46 H new ATOM 0 HG3 LYS A 56 -7.238 -9.121 6.239 1.00 0.46 H new ATOM 0 HD2 LYS A 56 -8.825 -10.181 3.877 1.00 0.59 H new ATOM 0 HD3 LYS A 56 -7.419 -10.900 4.637 1.00 0.59 H new ATOM 0 HE2 LYS A 56 -8.695 -11.356 6.681 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -10.089 -10.507 6.043 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -10.317 -12.894 5.819 1.00 2.24 H new ATOM 0 HZ2 LYS A 56 -10.269 -12.158 4.289 1.00 2.24 H new ATOM 0 HZ3 LYS A 56 -8.903 -12.974 4.882 1.00 2.24 H new ATOM 920 N ILE A 57 -11.451 -6.446 6.341 1.00 0.29 N ATOM 921 CA ILE A 57 -12.577 -6.020 7.167 1.00 0.36 C ATOM 922 C ILE A 57 -12.441 -4.603 7.797 1.00 0.30 C ATOM 923 O ILE A 57 -13.457 -4.075 8.249 1.00 0.40 O ATOM 924 CB ILE A 57 -12.850 -7.061 8.283 1.00 0.51 C ATOM 925 CG1 ILE A 57 -14.262 -6.888 8.852 1.00 1.45 C ATOM 926 CG2 ILE A 57 -11.804 -6.963 9.389 1.00 0.90 C ATOM 927 CD1 ILE A 57 -14.688 -8.015 9.767 1.00 2.06 C ATOM 0 H ILE A 57 -10.628 -5.845 6.393 1.00 0.29 H new ATOM 0 HA ILE A 57 -13.419 -5.955 6.478 1.00 0.36 H new ATOM 0 HB ILE A 57 -12.780 -8.055 7.842 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -14.311 -5.947 9.401 1.00 1.45 H new ATOM 0 HG13 ILE A 57 -14.971 -6.813 8.027 1.00 1.45 H new ATOM 0 HG21 ILE A 57 -12.018 -7.704 10.159 1.00 0.90 H new ATOM 0 HG22 ILE A 57 -10.815 -7.150 8.972 1.00 0.90 H new ATOM 0 HG23 ILE A 57 -11.831 -5.965 9.828 1.00 0.90 H new ATOM 0 HD11 ILE A 57 -15.697 -7.825 10.132 1.00 2.06 H new ATOM 0 HD12 ILE A 57 -14.672 -8.956 9.217 1.00 2.06 H new ATOM 0 HD13 ILE A 57 -14.002 -8.077 10.612 1.00 2.06 H new ATOM 939 N PRO A 58 -11.222 -3.969 7.883 1.00 0.29 N ATOM 940 CA PRO A 58 -11.053 -2.594 8.389 1.00 0.31 C ATOM 941 C PRO A 58 -12.257 -1.663 8.225 1.00 0.27 C ATOM 942 O PRO A 58 -12.697 -1.043 9.197 1.00 0.33 O ATOM 943 CB PRO A 58 -9.883 -2.118 7.547 1.00 0.40 C ATOM 944 CG PRO A 58 -8.979 -3.300 7.520 1.00 0.45 C ATOM 945 CD PRO A 58 -9.876 -4.521 7.571 1.00 0.45 C ATOM 0 HA PRO A 58 -10.913 -2.583 9.470 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -10.199 -1.830 6.544 1.00 0.40 H new ATOM 0 HB3 PRO A 58 -9.396 -1.249 7.989 1.00 0.40 H new ATOM 0 HG2 PRO A 58 -8.369 -3.303 6.617 1.00 0.45 H new ATOM 0 HG3 PRO A 58 -8.294 -3.285 8.367 1.00 0.45 H new ATOM 0 HD2 PRO A 58 -9.875 -5.056 6.622 1.00 0.45 H new ATOM 0 HD3 PRO A 58 -9.547 -5.226 8.335 1.00 0.45 H new ATOM 953 N GLY A 59 -12.794 -1.559 7.020 1.00 0.32 N ATOM 954 CA GLY A 59 -13.929 -0.682 6.820 1.00 0.44 C ATOM 955 C GLY A 59 -14.738 -1.009 5.585 1.00 0.40 C ATOM 956 O GLY A 59 -15.951 -1.206 5.661 1.00 0.47 O ATOM 0 H GLY A 59 -12.472 -2.056 6.190 1.00 0.32 H new ATOM 0 HA2 GLY A 59 -14.578 -0.737 7.694 1.00 0.44 H new ATOM 0 HA3 GLY A 59 -13.575 0.346 6.750 1.00 0.44 H new ATOM 960 N MET A 60 -14.073 -1.062 4.446 1.00 0.32 N ATOM 961 CA MET A 60 -14.752 -1.231 3.173 1.00 0.30 C ATOM 962 C MET A 60 -13.854 -2.000 2.215 1.00 0.21 C ATOM 963 O MET A 60 -12.664 -2.166 2.485 1.00 0.18 O ATOM 964 CB MET A 60 -15.094 0.149 2.599 1.00 0.37 C ATOM 965 CG MET A 60 -16.137 0.132 1.494 1.00 0.43 C ATOM 966 SD MET A 60 -16.497 1.783 0.868 1.00 1.82 S ATOM 967 CE MET A 60 -17.903 1.445 -0.186 1.00 2.23 C ATOM 0 H MET A 60 -13.058 -0.990 4.376 1.00 0.32 H new ATOM 0 HA MET A 60 -15.674 -1.795 3.314 1.00 0.30 H new ATOM 0 HB2 MET A 60 -15.451 0.787 3.408 1.00 0.37 H new ATOM 0 HB3 MET A 60 -14.182 0.604 2.213 1.00 0.37 H new ATOM 0 HG2 MET A 60 -15.786 -0.496 0.675 1.00 0.43 H new ATOM 0 HG3 MET A 60 -17.055 -0.319 1.871 1.00 0.43 H new ATOM 0 HE1 MET A 60 -17.889 2.123 -1.039 1.00 2.23 H new ATOM 0 HE2 MET A 60 -17.853 0.415 -0.540 1.00 2.23 H new ATOM 0 HE3 MET A 60 -18.824 1.591 0.378 1.00 2.23 H new ATOM 977 N ASP A 61 -14.418 -2.473 1.110 1.00 0.21 N ATOM 978 CA ASP A 61 -13.634 -3.134 0.082 1.00 0.18 C ATOM 979 C ASP A 61 -12.587 -2.187 -0.457 1.00 0.14 C ATOM 980 O ASP A 61 -12.872 -1.021 -0.759 1.00 0.17 O ATOM 981 CB ASP A 61 -14.504 -3.606 -1.086 1.00 0.26 C ATOM 982 CG ASP A 61 -15.284 -4.872 -0.790 1.00 0.48 C ATOM 983 OD1 ASP A 61 -14.736 -5.971 -1.006 1.00 0.67 O ATOM 984 OD2 ASP A 61 -16.451 -4.769 -0.368 1.00 0.64 O ATOM 0 H ASP A 61 -15.415 -2.410 0.906 1.00 0.21 H new ATOM 0 HA ASP A 61 -13.167 -4.004 0.545 1.00 0.18 H new ATOM 0 HB2 ASP A 61 -15.203 -2.813 -1.351 1.00 0.26 H new ATOM 0 HB3 ASP A 61 -13.869 -3.776 -1.956 1.00 0.26 H new ATOM 989 N GLY A 62 -11.382 -2.707 -0.597 1.00 0.16 N ATOM 990 CA GLY A 62 -10.276 -1.919 -1.085 1.00 0.20 C ATOM 991 C GLY A 62 -10.489 -1.422 -2.489 1.00 0.20 C ATOM 992 O GLY A 62 -9.747 -0.579 -2.969 1.00 0.32 O ATOM 0 H GLY A 62 -11.148 -3.675 -0.378 1.00 0.16 H new ATOM 0 HA2 GLY A 62 -10.122 -1.067 -0.422 1.00 0.20 H new ATOM 0 HA3 GLY A 62 -9.366 -2.518 -1.051 1.00 0.20 H new ATOM 996 N ILE A 63 -11.516 -1.939 -3.132 1.00 0.16 N ATOM 997 CA ILE A 63 -11.857 -1.555 -4.485 1.00 0.17 C ATOM 998 C ILE A 63 -12.673 -0.279 -4.487 1.00 0.18 C ATOM 999 O ILE A 63 -12.397 0.647 -5.243 1.00 0.22 O ATOM 1000 CB ILE A 63 -12.689 -2.650 -5.145 1.00 0.21 C ATOM 1001 CG1 ILE A 63 -12.057 -4.012 -4.907 1.00 0.26 C ATOM 1002 CG2 ILE A 63 -12.844 -2.387 -6.633 1.00 0.30 C ATOM 1003 CD1 ILE A 63 -12.954 -5.153 -5.304 1.00 1.31 C ATOM 0 H ILE A 63 -12.139 -2.639 -2.729 1.00 0.16 H new ATOM 0 HA ILE A 63 -10.928 -1.401 -5.034 1.00 0.17 H new ATOM 0 HB ILE A 63 -13.681 -2.644 -4.694 1.00 0.21 H new ATOM 0 HG12 ILE A 63 -11.125 -4.077 -5.469 1.00 0.26 H new ATOM 0 HG13 ILE A 63 -11.801 -4.108 -3.852 1.00 0.26 H new ATOM 0 HG21 ILE A 63 -13.441 -3.181 -7.083 1.00 0.30 H new ATOM 0 HG22 ILE A 63 -13.342 -1.429 -6.783 1.00 0.30 H new ATOM 0 HG23 ILE A 63 -11.861 -2.362 -7.102 1.00 0.30 H new ATOM 0 HD11 ILE A 63 -12.447 -6.098 -5.110 1.00 1.31 H new ATOM 0 HD12 ILE A 63 -13.876 -5.110 -4.724 1.00 1.31 H new ATOM 0 HD13 ILE A 63 -13.189 -5.078 -6.366 1.00 1.31 H new ATOM 1015 N GLU A 64 -13.685 -0.241 -3.636 1.00 0.15 N ATOM 1016 CA GLU A 64 -14.529 0.929 -3.520 1.00 0.17 C ATOM 1017 C GLU A 64 -13.703 2.088 -3.001 1.00 0.16 C ATOM 1018 O GLU A 64 -13.877 3.237 -3.412 1.00 0.18 O ATOM 1019 CB GLU A 64 -15.704 0.639 -2.593 1.00 0.21 C ATOM 1020 CG GLU A 64 -16.597 -0.487 -3.086 1.00 0.24 C ATOM 1021 CD GLU A 64 -17.241 -0.173 -4.419 1.00 0.32 C ATOM 1022 OE1 GLU A 64 -18.240 0.572 -4.442 1.00 0.47 O ATOM 1023 OE2 GLU A 64 -16.756 -0.680 -5.453 1.00 0.43 O ATOM 0 H GLU A 64 -13.940 -1.010 -3.016 1.00 0.15 H new ATOM 0 HA GLU A 64 -14.931 1.192 -4.499 1.00 0.17 H new ATOM 0 HB2 GLU A 64 -15.323 0.384 -1.604 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -16.301 1.544 -2.481 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -16.009 -1.400 -3.176 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -17.374 -0.680 -2.347 1.00 0.24 H new ATOM 1030 N ILE A 65 -12.775 1.769 -2.119 1.00 0.15 N ATOM 1031 CA ILE A 65 -11.845 2.758 -1.621 1.00 0.16 C ATOM 1032 C ILE A 65 -10.833 3.122 -2.707 1.00 0.15 C ATOM 1033 O ILE A 65 -10.491 4.288 -2.870 1.00 0.16 O ATOM 1034 CB ILE A 65 -11.139 2.258 -0.353 1.00 0.19 C ATOM 1035 CG1 ILE A 65 -12.193 1.809 0.661 1.00 0.24 C ATOM 1036 CG2 ILE A 65 -10.259 3.356 0.233 1.00 0.25 C ATOM 1037 CD1 ILE A 65 -11.616 1.111 1.863 1.00 0.69 C ATOM 0 H ILE A 65 -12.647 0.833 -1.734 1.00 0.15 H new ATOM 0 HA ILE A 65 -12.402 3.656 -1.355 1.00 0.16 H new ATOM 0 HB ILE A 65 -10.497 1.413 -0.601 1.00 0.19 H new ATOM 0 HG12 ILE A 65 -12.758 2.679 0.994 1.00 0.24 H new ATOM 0 HG13 ILE A 65 -12.898 1.140 0.167 1.00 0.24 H new ATOM 0 HG21 ILE A 65 -9.765 2.986 1.132 1.00 0.25 H new ATOM 0 HG22 ILE A 65 -9.507 3.649 -0.500 1.00 0.25 H new ATOM 0 HG23 ILE A 65 -10.875 4.219 0.487 1.00 0.25 H new ATOM 0 HD11 ILE A 65 -12.422 0.822 2.538 1.00 0.69 H new ATOM 0 HD12 ILE A 65 -11.075 0.221 1.542 1.00 0.69 H new ATOM 0 HD13 ILE A 65 -10.933 1.784 2.381 1.00 0.69 H new ATOM 1049 N LEU A 66 -10.405 2.118 -3.474 1.00 0.15 N ATOM 1050 CA LEU A 66 -9.538 2.322 -4.639 1.00 0.22 C ATOM 1051 C LEU A 66 -10.139 3.350 -5.571 1.00 0.16 C ATOM 1052 O LEU A 66 -9.474 4.293 -5.966 1.00 0.15 O ATOM 1053 CB LEU A 66 -9.325 0.963 -5.358 1.00 0.43 C ATOM 1054 CG LEU A 66 -8.820 0.948 -6.815 1.00 0.59 C ATOM 1055 CD1 LEU A 66 -8.311 -0.444 -7.157 1.00 0.86 C ATOM 1056 CD2 LEU A 66 -9.916 1.313 -7.808 1.00 1.47 C ATOM 0 H LEU A 66 -10.648 1.142 -3.307 1.00 0.15 H new ATOM 0 HA LEU A 66 -8.570 2.703 -4.315 1.00 0.22 H new ATOM 0 HB2 LEU A 66 -8.620 0.384 -4.761 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -10.275 0.429 -5.336 1.00 0.43 H new ATOM 0 HG LEU A 66 -8.026 1.690 -6.891 1.00 0.59 H new ATOM 0 HD11 LEU A 66 -7.953 -0.458 -8.187 1.00 0.86 H new ATOM 0 HD12 LEU A 66 -7.494 -0.708 -6.485 1.00 0.86 H new ATOM 0 HD13 LEU A 66 -9.120 -1.165 -7.044 1.00 0.86 H new ATOM 0 HD21 LEU A 66 -9.513 1.289 -8.820 1.00 1.47 H new ATOM 0 HD22 LEU A 66 -10.734 0.597 -7.726 1.00 1.47 H new ATOM 0 HD23 LEU A 66 -10.287 2.314 -7.589 1.00 1.47 H new ATOM 1068 N LYS A 67 -11.398 3.186 -5.901 1.00 0.17 N ATOM 1069 CA LYS A 67 -12.016 4.046 -6.885 1.00 0.17 C ATOM 1070 C LYS A 67 -12.265 5.438 -6.341 1.00 0.14 C ATOM 1071 O LYS A 67 -12.131 6.400 -7.081 1.00 0.15 O ATOM 1072 CB LYS A 67 -13.298 3.420 -7.413 1.00 0.22 C ATOM 1073 CG LYS A 67 -14.185 2.885 -6.314 1.00 0.19 C ATOM 1074 CD LYS A 67 -15.359 2.102 -6.872 1.00 0.27 C ATOM 1075 CE LYS A 67 -14.884 0.856 -7.606 1.00 0.42 C ATOM 1076 NZ LYS A 67 -16.018 -0.031 -7.973 1.00 0.65 N ATOM 0 H LYS A 67 -12.011 2.472 -5.507 1.00 0.17 H new ATOM 0 HA LYS A 67 -11.320 4.151 -7.717 1.00 0.17 H new ATOM 0 HB2 LYS A 67 -13.849 4.163 -7.989 1.00 0.22 H new ATOM 0 HB3 LYS A 67 -13.046 2.610 -8.097 1.00 0.22 H new ATOM 0 HG2 LYS A 67 -13.600 2.244 -5.654 1.00 0.19 H new ATOM 0 HG3 LYS A 67 -14.554 3.713 -5.709 1.00 0.19 H new ATOM 0 HD2 LYS A 67 -16.029 1.817 -6.061 1.00 0.27 H new ATOM 0 HD3 LYS A 67 -15.931 2.733 -7.552 1.00 0.27 H new ATOM 0 HE2 LYS A 67 -14.344 1.148 -8.507 1.00 0.42 H new ATOM 0 HE3 LYS A 67 -14.182 0.308 -6.977 1.00 0.42 H new ATOM 0 HZ1 LYS A 67 -15.715 -0.693 -8.715 1.00 0.65 H new ATOM 0 HZ2 LYS A 67 -16.325 -0.566 -7.136 1.00 0.65 H new ATOM 0 HZ3 LYS A 67 -16.809 0.545 -8.325 1.00 0.65 H new ATOM 1090 N ARG A 68 -12.610 5.581 -5.065 1.00 0.13 N ATOM 1091 CA ARG A 68 -12.708 6.934 -4.510 1.00 0.14 C ATOM 1092 C ARG A 68 -11.350 7.640 -4.503 1.00 0.12 C ATOM 1093 O ARG A 68 -11.277 8.852 -4.742 1.00 0.15 O ATOM 1094 CB ARG A 68 -13.354 6.956 -3.119 1.00 0.16 C ATOM 1095 CG ARG A 68 -12.918 5.838 -2.208 1.00 0.25 C ATOM 1096 CD ARG A 68 -13.890 5.650 -1.060 1.00 0.37 C ATOM 1097 NE ARG A 68 -15.278 5.599 -1.520 1.00 1.18 N ATOM 1098 CZ ARG A 68 -16.326 5.348 -0.735 1.00 1.28 C ATOM 1099 NH1 ARG A 68 -16.155 5.102 0.560 1.00 0.98 N ATOM 1100 NH2 ARG A 68 -17.545 5.343 -1.251 1.00 2.18 N ATOM 0 H ARG A 68 -12.818 4.820 -4.419 1.00 0.13 H new ATOM 0 HA ARG A 68 -13.371 7.491 -5.173 1.00 0.14 H new ATOM 0 HB2 ARG A 68 -13.123 7.908 -2.641 1.00 0.16 H new ATOM 0 HB3 ARG A 68 -14.437 6.912 -3.235 1.00 0.16 H new ATOM 0 HG2 ARG A 68 -12.841 4.912 -2.777 1.00 0.25 H new ATOM 0 HG3 ARG A 68 -11.925 6.054 -1.814 1.00 0.25 H new ATOM 0 HD2 ARG A 68 -13.650 4.729 -0.529 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -13.774 6.468 -0.349 1.00 0.37 H new ATOM 0 HE ARG A 68 -15.456 5.767 -2.510 1.00 1.18 H new ATOM 0 HH11 ARG A 68 -15.217 5.104 0.960 1.00 0.98 H new ATOM 0 HH12 ARG A 68 -16.962 4.911 1.154 1.00 0.98 H new ATOM 0 HH21 ARG A 68 -17.679 5.531 -2.245 1.00 2.18 H new ATOM 0 HH22 ARG A 68 -18.350 5.152 -0.655 1.00 2.18 H new ATOM 1114 N MET A 69 -10.259 6.901 -4.296 1.00 0.11 N ATOM 1115 CA MET A 69 -8.957 7.523 -4.330 1.00 0.12 C ATOM 1116 C MET A 69 -8.493 7.626 -5.756 1.00 0.10 C ATOM 1117 O MET A 69 -7.578 8.366 -6.063 1.00 0.12 O ATOM 1118 CB MET A 69 -7.939 6.776 -3.483 1.00 0.15 C ATOM 1119 CG MET A 69 -8.004 5.278 -3.649 1.00 0.25 C ATOM 1120 SD MET A 69 -6.615 4.435 -2.895 1.00 0.33 S ATOM 1121 CE MET A 69 -6.875 4.916 -1.189 1.00 1.28 C ATOM 0 H MET A 69 -10.259 5.898 -4.109 1.00 0.11 H new ATOM 0 HA MET A 69 -9.046 8.521 -3.900 1.00 0.12 H new ATOM 0 HB2 MET A 69 -6.938 7.120 -3.744 1.00 0.15 H new ATOM 0 HB3 MET A 69 -8.098 7.025 -2.434 1.00 0.15 H new ATOM 0 HG2 MET A 69 -8.930 4.908 -3.209 1.00 0.25 H new ATOM 0 HG3 MET A 69 -8.037 5.036 -4.711 1.00 0.25 H new ATOM 0 HE1 MET A 69 -6.148 5.679 -0.911 1.00 1.28 H new ATOM 0 HE2 MET A 69 -7.883 5.315 -1.073 1.00 1.28 H new ATOM 0 HE3 MET A 69 -6.753 4.047 -0.543 1.00 1.28 H new ATOM 1131 N LYS A 70 -9.137 6.868 -6.624 1.00 0.08 N ATOM 1132 CA LYS A 70 -8.958 7.033 -8.044 1.00 0.10 C ATOM 1133 C LYS A 70 -9.649 8.326 -8.481 1.00 0.13 C ATOM 1134 O LYS A 70 -9.134 9.079 -9.294 1.00 0.23 O ATOM 1135 CB LYS A 70 -9.530 5.831 -8.799 1.00 0.14 C ATOM 1136 CG LYS A 70 -8.462 4.918 -9.370 1.00 0.17 C ATOM 1137 CD LYS A 70 -7.733 4.187 -8.260 1.00 0.41 C ATOM 1138 CE LYS A 70 -6.890 3.041 -8.782 1.00 0.33 C ATOM 1139 NZ LYS A 70 -6.015 2.483 -7.720 1.00 1.30 N ATOM 0 H LYS A 70 -9.791 6.130 -6.363 1.00 0.08 H new ATOM 0 HA LYS A 70 -7.895 7.094 -8.275 1.00 0.10 H new ATOM 0 HB2 LYS A 70 -10.167 5.257 -8.126 1.00 0.14 H new ATOM 0 HB3 LYS A 70 -10.164 6.188 -9.610 1.00 0.14 H new ATOM 0 HG2 LYS A 70 -8.918 4.197 -10.049 1.00 0.17 H new ATOM 0 HG3 LYS A 70 -7.752 5.502 -9.955 1.00 0.17 H new ATOM 0 HD2 LYS A 70 -7.095 4.889 -7.724 1.00 0.41 H new ATOM 0 HD3 LYS A 70 -8.459 3.804 -7.543 1.00 0.41 H new ATOM 0 HE2 LYS A 70 -7.540 2.256 -9.169 1.00 0.33 H new ATOM 0 HE3 LYS A 70 -6.278 3.388 -9.615 1.00 0.33 H new ATOM 0 HZ1 LYS A 70 -5.489 1.669 -8.096 1.00 1.30 H new ATOM 0 HZ2 LYS A 70 -5.344 3.212 -7.404 1.00 1.30 H new ATOM 0 HZ3 LYS A 70 -6.598 2.177 -6.915 1.00 1.30 H new ATOM 1153 N VAL A 71 -10.810 8.599 -7.897 1.00 0.13 N ATOM 1154 CA VAL A 71 -11.553 9.816 -8.221 1.00 0.18 C ATOM 1155 C VAL A 71 -10.759 11.051 -7.821 1.00 0.15 C ATOM 1156 O VAL A 71 -10.753 12.053 -8.538 1.00 0.16 O ATOM 1157 CB VAL A 71 -12.941 9.869 -7.534 1.00 0.26 C ATOM 1158 CG1 VAL A 71 -13.673 11.156 -7.882 1.00 0.87 C ATOM 1159 CG2 VAL A 71 -13.790 8.671 -7.919 1.00 1.03 C ATOM 0 H VAL A 71 -11.256 8.001 -7.202 1.00 0.13 H new ATOM 0 HA VAL A 71 -11.709 9.800 -9.300 1.00 0.18 H new ATOM 0 HB VAL A 71 -12.773 9.843 -6.457 1.00 0.26 H new ATOM 0 HG11 VAL A 71 -14.644 11.168 -7.387 1.00 0.87 H new ATOM 0 HG12 VAL A 71 -13.085 12.011 -7.548 1.00 0.87 H new ATOM 0 HG13 VAL A 71 -13.815 11.213 -8.961 1.00 0.87 H new ATOM 0 HG21 VAL A 71 -14.758 8.736 -7.422 1.00 1.03 H new ATOM 0 HG22 VAL A 71 -13.937 8.661 -8.999 1.00 1.03 H new ATOM 0 HG23 VAL A 71 -13.286 7.754 -7.613 1.00 1.03 H new ATOM 1169 N ILE A 72 -10.077 10.980 -6.686 1.00 0.13 N ATOM 1170 CA ILE A 72 -9.213 12.077 -6.272 1.00 0.14 C ATOM 1171 C ILE A 72 -7.839 11.964 -6.942 1.00 0.15 C ATOM 1172 O ILE A 72 -7.204 12.978 -7.236 1.00 0.26 O ATOM 1173 CB ILE A 72 -9.080 12.157 -4.726 1.00 0.16 C ATOM 1174 CG1 ILE A 72 -8.602 10.826 -4.145 1.00 0.13 C ATOM 1175 CG2 ILE A 72 -10.415 12.554 -4.103 1.00 0.22 C ATOM 1176 CD1 ILE A 72 -8.596 10.796 -2.630 1.00 0.14 C ATOM 0 H ILE A 72 -10.104 10.188 -6.044 1.00 0.13 H new ATOM 0 HA ILE A 72 -9.679 13.006 -6.600 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.336 12.917 -4.489 1.00 0.16 H new ATOM 0 HG12 ILE A 72 -9.244 10.026 -4.514 1.00 0.13 H new ATOM 0 HG13 ILE A 72 -7.595 10.620 -4.509 1.00 0.13 H new ATOM 0 HG21 ILE A 72 -10.309 12.607 -3.019 1.00 0.22 H new ATOM 0 HG22 ILE A 72 -10.720 13.528 -4.486 1.00 0.22 H new ATOM 0 HG23 ILE A 72 -11.171 11.811 -4.358 1.00 0.22 H new ATOM 0 HD11 ILE A 72 -8.246 9.822 -2.287 1.00 0.14 H new ATOM 0 HD12 ILE A 72 -7.932 11.574 -2.253 1.00 0.14 H new ATOM 0 HD13 ILE A 72 -9.606 10.970 -2.259 1.00 0.14 H new ATOM 1188 N ASP A 73 -7.410 10.732 -7.230 1.00 0.11 N ATOM 1189 CA ASP A 73 -6.114 10.483 -7.872 1.00 0.12 C ATOM 1190 C ASP A 73 -6.073 9.136 -8.590 1.00 0.13 C ATOM 1191 O ASP A 73 -5.655 8.147 -8.018 1.00 0.17 O ATOM 1192 CB ASP A 73 -4.981 10.503 -6.838 1.00 0.20 C ATOM 1193 CG ASP A 73 -4.225 11.818 -6.793 1.00 0.61 C ATOM 1194 OD1 ASP A 73 -3.602 12.184 -7.813 1.00 0.76 O ATOM 1195 OD2 ASP A 73 -4.237 12.487 -5.740 1.00 1.08 O ATOM 0 H ASP A 73 -7.944 9.887 -7.028 1.00 0.11 H new ATOM 0 HA ASP A 73 -5.980 11.280 -8.603 1.00 0.12 H new ATOM 0 HB2 ASP A 73 -5.397 10.298 -5.851 1.00 0.20 H new ATOM 0 HB3 ASP A 73 -4.281 9.698 -7.062 1.00 0.20 H new ATOM 1200 N GLU A 74 -6.480 9.085 -9.850 1.00 0.13 N ATOM 1201 CA GLU A 74 -6.359 7.840 -10.626 1.00 0.16 C ATOM 1202 C GLU A 74 -4.898 7.476 -10.864 1.00 0.18 C ATOM 1203 O GLU A 74 -4.588 6.437 -11.450 1.00 0.24 O ATOM 1204 CB GLU A 74 -7.083 7.916 -11.964 1.00 0.18 C ATOM 1205 CG GLU A 74 -8.594 7.853 -11.839 1.00 0.52 C ATOM 1206 CD GLU A 74 -9.284 7.711 -13.177 1.00 1.26 C ATOM 1207 OE1 GLU A 74 -9.411 6.573 -13.668 1.00 1.67 O ATOM 1208 OE2 GLU A 74 -9.710 8.739 -13.743 1.00 1.78 O ATOM 0 H GLU A 74 -6.890 9.869 -10.357 1.00 0.13 H new ATOM 0 HA GLU A 74 -6.833 7.063 -10.026 1.00 0.16 H new ATOM 0 HB2 GLU A 74 -6.806 8.843 -12.466 1.00 0.18 H new ATOM 0 HB3 GLU A 74 -6.744 7.097 -12.598 1.00 0.18 H new ATOM 0 HG2 GLU A 74 -8.867 7.011 -11.203 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.952 8.756 -11.344 1.00 0.52 H new ATOM 1215 N ASN A 75 -4.010 8.336 -10.391 1.00 0.17 N ATOM 1216 CA ASN A 75 -2.583 8.063 -10.408 1.00 0.21 C ATOM 1217 C ASN A 75 -2.301 7.031 -9.345 1.00 0.20 C ATOM 1218 O ASN A 75 -1.349 6.254 -9.411 1.00 0.27 O ATOM 1219 CB ASN A 75 -1.797 9.341 -10.109 1.00 0.24 C ATOM 1220 CG ASN A 75 -0.508 9.077 -9.341 1.00 0.26 C ATOM 1221 OD1 ASN A 75 0.542 8.823 -9.927 1.00 0.35 O ATOM 1222 ND2 ASN A 75 -0.588 9.146 -8.017 1.00 0.22 N ATOM 0 H ASN A 75 -4.257 9.239 -9.986 1.00 0.17 H new ATOM 0 HA ASN A 75 -2.280 7.698 -11.389 1.00 0.21 H new ATOM 0 HB2 ASN A 75 -1.559 9.843 -11.047 1.00 0.24 H new ATOM 0 HB3 ASN A 75 -2.424 10.021 -9.533 1.00 0.24 H new ATOM 0 HD21 ASN A 75 0.242 8.985 -7.447 1.00 0.22 H new ATOM 0 HD22 ASN A 75 -1.480 9.360 -7.570 1.00 0.22 H new ATOM 1229 N ILE A 76 -3.183 7.038 -8.372 1.00 0.16 N ATOM 1230 CA ILE A 76 -3.049 6.220 -7.205 1.00 0.16 C ATOM 1231 C ILE A 76 -3.291 4.774 -7.544 1.00 0.17 C ATOM 1232 O ILE A 76 -3.999 4.441 -8.497 1.00 0.21 O ATOM 1233 CB ILE A 76 -4.041 6.670 -6.120 1.00 0.16 C ATOM 1234 CG1 ILE A 76 -3.399 6.596 -4.752 1.00 0.16 C ATOM 1235 CG2 ILE A 76 -5.336 5.840 -6.131 1.00 0.18 C ATOM 1236 CD1 ILE A 76 -4.234 7.276 -3.702 1.00 0.19 C ATOM 0 H ILE A 76 -4.020 7.621 -8.376 1.00 0.16 H new ATOM 0 HA ILE A 76 -2.033 6.329 -6.827 1.00 0.16 H new ATOM 0 HB ILE A 76 -4.308 7.703 -6.344 1.00 0.16 H new ATOM 0 HG12 ILE A 76 -3.250 5.552 -4.477 1.00 0.16 H new ATOM 0 HG13 ILE A 76 -2.413 7.060 -4.788 1.00 0.16 H new ATOM 0 HG21 ILE A 76 -6.003 6.197 -5.347 1.00 0.18 H new ATOM 0 HG22 ILE A 76 -5.826 5.943 -7.099 1.00 0.18 H new ATOM 0 HG23 ILE A 76 -5.097 4.791 -5.955 1.00 0.18 H new ATOM 0 HD11 ILE A 76 -3.736 7.199 -2.735 1.00 0.19 H new ATOM 0 HD12 ILE A 76 -4.361 8.327 -3.962 1.00 0.19 H new ATOM 0 HD13 ILE A 76 -5.211 6.795 -3.646 1.00 0.19 H new ATOM 1248 N ARG A 77 -2.717 3.920 -6.755 1.00 0.15 N ATOM 1249 CA ARG A 77 -2.911 2.515 -6.914 1.00 0.15 C ATOM 1250 C ARG A 77 -3.072 1.903 -5.547 1.00 0.14 C ATOM 1251 O ARG A 77 -2.917 2.593 -4.546 1.00 0.16 O ATOM 1252 CB ARG A 77 -1.736 1.901 -7.641 1.00 0.16 C ATOM 1253 CG ARG A 77 -0.432 2.066 -6.916 1.00 0.17 C ATOM 1254 CD ARG A 77 0.659 2.364 -7.904 1.00 0.28 C ATOM 1255 NE ARG A 77 0.783 3.799 -8.168 1.00 0.55 N ATOM 1256 CZ ARG A 77 1.389 4.314 -9.243 1.00 0.65 C ATOM 1257 NH1 ARG A 77 1.886 3.514 -10.177 1.00 0.96 N ATOM 1258 NH2 ARG A 77 1.476 5.632 -9.395 1.00 1.08 N ATOM 0 H ARG A 77 -2.102 4.178 -5.984 1.00 0.15 H new ATOM 0 HA ARG A 77 -3.804 2.324 -7.510 1.00 0.15 H new ATOM 0 HB2 ARG A 77 -1.927 0.839 -7.792 1.00 0.16 H new ATOM 0 HB3 ARG A 77 -1.653 2.354 -8.629 1.00 0.16 H new ATOM 0 HG2 ARG A 77 -0.508 2.874 -6.189 1.00 0.17 H new ATOM 0 HG3 ARG A 77 -0.196 1.158 -6.361 1.00 0.17 H new ATOM 0 HD2 ARG A 77 1.607 1.982 -7.524 1.00 0.28 H new ATOM 0 HD3 ARG A 77 0.456 1.840 -8.838 1.00 0.28 H new ATOM 0 HE ARG A 77 0.382 4.446 -7.489 1.00 0.55 H new ATOM 0 HH11 ARG A 77 1.807 2.502 -10.077 1.00 0.96 H new ATOM 0 HH12 ARG A 77 2.348 3.911 -10.996 1.00 0.96 H new ATOM 0 HH21 ARG A 77 1.080 6.254 -8.690 1.00 1.08 H new ATOM 0 HH22 ARG A 77 1.939 6.021 -10.216 1.00 1.08 H new ATOM 1272 N VAL A 78 -3.349 0.622 -5.484 1.00 0.14 N ATOM 1273 CA VAL A 78 -3.610 0.004 -4.203 1.00 0.15 C ATOM 1274 C VAL A 78 -3.011 -1.376 -4.137 1.00 0.16 C ATOM 1275 O VAL A 78 -2.929 -2.084 -5.129 1.00 0.31 O ATOM 1276 CB VAL A 78 -5.121 -0.074 -3.880 1.00 0.30 C ATOM 1277 CG1 VAL A 78 -5.664 1.278 -3.455 1.00 0.79 C ATOM 1278 CG2 VAL A 78 -5.889 -0.579 -5.068 1.00 0.43 C ATOM 0 H VAL A 78 -3.399 -0.004 -6.288 1.00 0.14 H new ATOM 0 HA VAL A 78 -3.139 0.642 -3.455 1.00 0.15 H new ATOM 0 HB VAL A 78 -5.245 -0.771 -3.051 1.00 0.30 H new ATOM 0 HG11 VAL A 78 -6.728 1.190 -3.235 1.00 0.79 H new ATOM 0 HG12 VAL A 78 -5.136 1.618 -2.564 1.00 0.79 H new ATOM 0 HG13 VAL A 78 -5.518 1.998 -4.260 1.00 0.79 H new ATOM 0 HG21 VAL A 78 -6.950 -0.627 -4.822 1.00 0.43 H new ATOM 0 HG22 VAL A 78 -5.742 0.097 -5.910 1.00 0.43 H new ATOM 0 HG23 VAL A 78 -5.533 -1.574 -5.335 1.00 0.43 H new ATOM 1288 N ILE A 79 -2.561 -1.733 -2.967 1.00 0.10 N ATOM 1289 CA ILE A 79 -2.090 -3.063 -2.715 1.00 0.09 C ATOM 1290 C ILE A 79 -3.076 -3.730 -1.789 1.00 0.09 C ATOM 1291 O ILE A 79 -2.864 -3.807 -0.580 1.00 0.11 O ATOM 1292 CB ILE A 79 -0.689 -3.048 -2.080 1.00 0.11 C ATOM 1293 CG1 ILE A 79 0.312 -2.373 -3.024 1.00 0.15 C ATOM 1294 CG2 ILE A 79 -0.235 -4.454 -1.720 1.00 0.15 C ATOM 1295 CD1 ILE A 79 1.721 -2.310 -2.480 1.00 0.60 C ATOM 0 H ILE A 79 -2.511 -1.109 -2.162 1.00 0.10 H new ATOM 0 HA ILE A 79 -2.011 -3.610 -3.654 1.00 0.09 H new ATOM 0 HB ILE A 79 -0.737 -2.472 -1.156 1.00 0.11 H new ATOM 0 HG12 ILE A 79 0.323 -2.912 -3.972 1.00 0.15 H new ATOM 0 HG13 ILE A 79 -0.030 -1.360 -3.237 1.00 0.15 H new ATOM 0 HG21 ILE A 79 0.758 -4.412 -1.273 1.00 0.15 H new ATOM 0 HG22 ILE A 79 -0.935 -4.891 -1.008 1.00 0.15 H new ATOM 0 HG23 ILE A 79 -0.202 -5.068 -2.620 1.00 0.15 H new ATOM 0 HD11 ILE A 79 2.369 -1.819 -3.205 1.00 0.60 H new ATOM 0 HD12 ILE A 79 1.726 -1.745 -1.548 1.00 0.60 H new ATOM 0 HD13 ILE A 79 2.085 -3.321 -2.294 1.00 0.60 H new ATOM 1307 N ILE A 80 -4.201 -4.119 -2.346 1.00 0.09 N ATOM 1308 CA ILE A 80 -5.290 -4.602 -1.511 1.00 0.10 C ATOM 1309 C ILE A 80 -4.950 -5.924 -0.817 1.00 0.12 C ATOM 1310 O ILE A 80 -4.309 -6.806 -1.388 1.00 0.14 O ATOM 1311 CB ILE A 80 -6.646 -4.705 -2.255 1.00 0.12 C ATOM 1312 CG1 ILE A 80 -6.720 -5.954 -3.151 1.00 0.13 C ATOM 1313 CG2 ILE A 80 -6.877 -3.441 -3.076 1.00 0.12 C ATOM 1314 CD1 ILE A 80 -5.812 -5.924 -4.361 1.00 0.13 C ATOM 0 H ILE A 80 -4.389 -4.114 -3.348 1.00 0.09 H new ATOM 0 HA ILE A 80 -5.412 -3.838 -0.743 1.00 0.10 H new ATOM 0 HB ILE A 80 -7.434 -4.803 -1.508 1.00 0.12 H new ATOM 0 HG12 ILE A 80 -6.472 -6.829 -2.551 1.00 0.13 H new ATOM 0 HG13 ILE A 80 -7.748 -6.080 -3.489 1.00 0.13 H new ATOM 0 HG21 ILE A 80 -7.831 -3.516 -3.598 1.00 0.12 H new ATOM 0 HG22 ILE A 80 -6.892 -2.575 -2.414 1.00 0.12 H new ATOM 0 HG23 ILE A 80 -6.073 -3.328 -3.803 1.00 0.12 H new ATOM 0 HD11 ILE A 80 -5.934 -6.845 -4.930 1.00 0.13 H new ATOM 0 HD12 ILE A 80 -6.071 -5.072 -4.989 1.00 0.13 H new ATOM 0 HD13 ILE A 80 -4.776 -5.833 -4.036 1.00 0.13 H new ATOM 1326 N MET A 81 -5.359 -6.022 0.439 1.00 0.15 N ATOM 1327 CA MET A 81 -5.081 -7.201 1.261 1.00 0.21 C ATOM 1328 C MET A 81 -6.305 -8.097 1.341 1.00 0.20 C ATOM 1329 O MET A 81 -7.359 -7.678 1.799 1.00 0.36 O ATOM 1330 CB MET A 81 -4.655 -6.800 2.667 1.00 0.31 C ATOM 1331 CG MET A 81 -3.590 -5.713 2.686 1.00 0.43 C ATOM 1332 SD MET A 81 -2.339 -5.964 3.963 1.00 0.80 S ATOM 1333 CE MET A 81 -1.710 -7.583 3.528 1.00 1.88 C ATOM 0 H MET A 81 -5.889 -5.295 0.919 1.00 0.15 H new ATOM 0 HA MET A 81 -4.265 -7.747 0.788 1.00 0.21 H new ATOM 0 HB2 MET A 81 -5.529 -6.453 3.219 1.00 0.31 H new ATOM 0 HB3 MET A 81 -4.277 -7.679 3.189 1.00 0.31 H new ATOM 0 HG2 MET A 81 -3.103 -5.674 1.712 1.00 0.43 H new ATOM 0 HG3 MET A 81 -4.069 -4.747 2.841 1.00 0.43 H new ATOM 0 HE1 MET A 81 -0.654 -7.645 3.790 1.00 1.88 H new ATOM 0 HE2 MET A 81 -2.265 -8.347 4.072 1.00 1.88 H new ATOM 0 HE3 MET A 81 -1.828 -7.743 2.456 1.00 1.88 H new ATOM 1343 N THR A 82 -6.174 -9.326 0.890 1.00 0.25 N ATOM 1344 CA THR A 82 -7.312 -10.218 0.811 1.00 0.30 C ATOM 1345 C THR A 82 -7.010 -11.595 1.376 1.00 0.31 C ATOM 1346 O THR A 82 -5.854 -11.940 1.620 1.00 0.35 O ATOM 1347 CB THR A 82 -7.808 -10.317 -0.641 1.00 0.47 C ATOM 1348 OG1 THR A 82 -8.851 -11.294 -0.765 1.00 1.13 O ATOM 1349 CG2 THR A 82 -6.661 -10.636 -1.586 1.00 0.91 C ATOM 0 H THR A 82 -5.293 -9.730 0.573 1.00 0.25 H new ATOM 0 HA THR A 82 -8.103 -9.794 1.430 1.00 0.30 H new ATOM 0 HB THR A 82 -8.219 -9.346 -0.918 1.00 0.47 H new ATOM 0 HG1 THR A 82 -9.700 -10.906 -0.466 1.00 1.13 H new ATOM 0 HG21 THR A 82 -7.038 -10.701 -2.607 1.00 0.91 H new ATOM 0 HG22 THR A 82 -5.910 -9.848 -1.526 1.00 0.91 H new ATOM 0 HG23 THR A 82 -6.211 -11.588 -1.304 1.00 0.91 H new ATOM 1357 N ALA A 83 -8.075 -12.349 1.629 1.00 0.33 N ATOM 1358 CA ALA A 83 -7.988 -13.768 1.982 1.00 0.40 C ATOM 1359 C ALA A 83 -7.410 -14.596 0.832 1.00 0.45 C ATOM 1360 O ALA A 83 -8.041 -15.540 0.354 1.00 0.54 O ATOM 1361 CB ALA A 83 -9.369 -14.288 2.344 1.00 0.47 C ATOM 0 H ALA A 83 -9.030 -11.993 1.596 1.00 0.33 H new ATOM 0 HA ALA A 83 -7.319 -13.865 2.837 1.00 0.40 H new ATOM 0 HB1 ALA A 83 -9.303 -15.344 2.606 1.00 0.47 H new ATOM 0 HB2 ALA A 83 -9.758 -13.727 3.193 1.00 0.47 H new ATOM 0 HB3 ALA A 83 -10.038 -14.167 1.492 1.00 0.47 H new ATOM 1367 N TYR A 84 -6.211 -14.215 0.399 1.00 0.45 N ATOM 1368 CA TYR A 84 -5.502 -14.861 -0.704 1.00 0.55 C ATOM 1369 C TYR A 84 -6.200 -14.588 -2.041 1.00 0.56 C ATOM 1370 O TYR A 84 -5.816 -15.106 -3.088 1.00 0.77 O ATOM 1371 CB TYR A 84 -5.333 -16.369 -0.435 1.00 0.69 C ATOM 1372 CG TYR A 84 -4.597 -17.129 -1.520 1.00 1.26 C ATOM 1373 CD1 TYR A 84 -3.241 -16.926 -1.747 1.00 1.92 C ATOM 1374 CD2 TYR A 84 -5.267 -18.047 -2.321 1.00 2.03 C ATOM 1375 CE1 TYR A 84 -2.575 -17.616 -2.744 1.00 2.83 C ATOM 1376 CE2 TYR A 84 -4.608 -18.740 -3.315 1.00 2.97 C ATOM 1377 CZ TYR A 84 -3.265 -18.522 -3.525 1.00 3.26 C ATOM 1378 OH TYR A 84 -2.612 -19.206 -4.526 1.00 4.30 O ATOM 0 H TYR A 84 -5.696 -13.437 0.811 1.00 0.45 H new ATOM 0 HA TYR A 84 -4.503 -14.430 -0.772 1.00 0.55 H new ATOM 0 HB2 TYR A 84 -4.799 -16.498 0.506 1.00 0.69 H new ATOM 0 HB3 TYR A 84 -6.320 -16.813 -0.305 1.00 0.69 H new ATOM 0 HD1 TYR A 84 -2.699 -16.219 -1.136 1.00 1.92 H new ATOM 0 HD2 TYR A 84 -6.321 -18.220 -2.162 1.00 2.03 H new ATOM 0 HE1 TYR A 84 -1.521 -17.447 -2.911 1.00 2.83 H new ATOM 0 HE2 TYR A 84 -5.144 -19.451 -3.926 1.00 2.97 H new ATOM 0 HH TYR A 84 -3.243 -19.804 -4.979 1.00 4.30 H new ATOM 1388 N GLY A 85 -7.200 -13.731 -2.001 1.00 0.52 N ATOM 1389 CA GLY A 85 -7.911 -13.377 -3.198 1.00 0.56 C ATOM 1390 C GLY A 85 -9.173 -14.183 -3.361 1.00 0.55 C ATOM 1391 O GLY A 85 -9.157 -15.286 -3.910 1.00 0.62 O ATOM 0 H GLY A 85 -7.533 -13.272 -1.153 1.00 0.52 H new ATOM 0 HA2 GLY A 85 -8.159 -12.316 -3.173 1.00 0.56 H new ATOM 0 HA3 GLY A 85 -7.266 -13.533 -4.063 1.00 0.56 H new ATOM 1395 N GLU A 86 -10.271 -13.626 -2.880 1.00 0.55 N ATOM 1396 CA GLU A 86 -11.589 -14.230 -3.031 1.00 0.62 C ATOM 1397 C GLU A 86 -12.075 -14.131 -4.486 1.00 0.68 C ATOM 1398 O GLU A 86 -13.228 -14.432 -4.796 1.00 1.05 O ATOM 1399 CB GLU A 86 -12.557 -13.535 -2.071 1.00 0.72 C ATOM 1400 CG GLU A 86 -12.025 -13.477 -0.643 1.00 0.74 C ATOM 1401 CD GLU A 86 -12.929 -12.717 0.304 1.00 1.04 C ATOM 1402 OE1 GLU A 86 -14.106 -13.095 0.452 1.00 1.33 O ATOM 1403 OE2 GLU A 86 -12.458 -11.743 0.922 1.00 1.17 O ATOM 0 H GLU A 86 -10.277 -12.741 -2.373 1.00 0.55 H new ATOM 0 HA GLU A 86 -11.538 -15.291 -2.786 1.00 0.62 H new ATOM 0 HB2 GLU A 86 -12.749 -12.522 -2.425 1.00 0.72 H new ATOM 0 HB3 GLU A 86 -13.511 -14.062 -2.078 1.00 0.72 H new ATOM 0 HG2 GLU A 86 -11.893 -14.493 -0.271 1.00 0.74 H new ATOM 0 HG3 GLU A 86 -11.041 -13.009 -0.648 1.00 0.74 H new ATOM 1410 N LEU A 87 -11.158 -13.714 -5.362 1.00 0.71 N ATOM 1411 CA LEU A 87 -11.385 -13.626 -6.806 1.00 0.73 C ATOM 1412 C LEU A 87 -12.546 -12.702 -7.173 1.00 0.74 C ATOM 1413 O LEU A 87 -13.044 -11.947 -6.336 1.00 0.72 O ATOM 1414 CB LEU A 87 -11.587 -15.019 -7.408 1.00 0.85 C ATOM 1415 CG LEU A 87 -10.312 -15.857 -7.534 1.00 1.14 C ATOM 1416 CD1 LEU A 87 -10.617 -17.209 -8.158 1.00 1.48 C ATOM 1417 CD2 LEU A 87 -9.266 -15.113 -8.354 1.00 1.73 C ATOM 0 H LEU A 87 -10.221 -13.423 -5.083 1.00 0.71 H new ATOM 0 HA LEU A 87 -10.488 -13.181 -7.236 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -12.304 -15.564 -6.794 1.00 0.85 H new ATOM 0 HB3 LEU A 87 -12.032 -14.911 -8.397 1.00 0.85 H new ATOM 0 HG LEU A 87 -9.912 -16.026 -6.534 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -9.697 -17.788 -8.238 1.00 1.48 H new ATOM 0 HD12 LEU A 87 -11.331 -17.746 -7.533 1.00 1.48 H new ATOM 0 HD13 LEU A 87 -11.042 -17.064 -9.151 1.00 1.48 H new ATOM 0 HD21 LEU A 87 -8.366 -15.722 -8.434 1.00 1.73 H new ATOM 0 HD22 LEU A 87 -9.659 -14.914 -9.351 1.00 1.73 H new ATOM 0 HD23 LEU A 87 -9.023 -14.170 -7.865 1.00 1.73 H new ATOM 1429 N ASP A 88 -12.931 -12.759 -8.451 1.00 0.80 N ATOM 1430 CA ASP A 88 -13.959 -11.889 -9.031 1.00 0.85 C ATOM 1431 C ASP A 88 -13.630 -10.411 -8.806 1.00 0.74 C ATOM 1432 O ASP A 88 -12.888 -9.814 -9.586 1.00 0.67 O ATOM 1433 CB ASP A 88 -15.348 -12.238 -8.490 1.00 1.01 C ATOM 1434 CG ASP A 88 -16.448 -11.401 -9.113 1.00 1.03 C ATOM 1435 OD1 ASP A 88 -16.901 -11.741 -10.226 1.00 1.38 O ATOM 1436 OD2 ASP A 88 -16.851 -10.395 -8.499 1.00 1.38 O ATOM 0 H ASP A 88 -12.533 -13.418 -9.120 1.00 0.80 H new ATOM 0 HA ASP A 88 -13.969 -12.062 -10.107 1.00 0.85 H new ATOM 0 HB2 ASP A 88 -15.551 -13.293 -8.676 1.00 1.01 H new ATOM 0 HB3 ASP A 88 -15.358 -12.097 -7.409 1.00 1.01 H new ATOM 1441 N MET A 89 -14.152 -9.830 -7.728 1.00 0.76 N ATOM 1442 CA MET A 89 -13.844 -8.451 -7.378 1.00 0.73 C ATOM 1443 C MET A 89 -12.371 -8.311 -7.027 1.00 0.57 C ATOM 1444 O MET A 89 -11.807 -7.238 -7.133 1.00 0.53 O ATOM 1445 CB MET A 89 -14.705 -7.965 -6.209 1.00 0.87 C ATOM 1446 CG MET A 89 -16.171 -7.778 -6.564 1.00 1.58 C ATOM 1447 SD MET A 89 -17.139 -7.089 -5.207 1.00 1.63 S ATOM 1448 CE MET A 89 -16.448 -5.442 -5.083 1.00 2.72 C ATOM 0 H MET A 89 -14.790 -10.296 -7.083 1.00 0.76 H new ATOM 0 HA MET A 89 -14.068 -7.832 -8.246 1.00 0.73 H new ATOM 0 HB2 MET A 89 -14.627 -8.681 -5.390 1.00 0.87 H new ATOM 0 HB3 MET A 89 -14.305 -7.019 -5.844 1.00 0.87 H new ATOM 0 HG2 MET A 89 -16.249 -7.120 -7.430 1.00 1.58 H new ATOM 0 HG3 MET A 89 -16.595 -8.739 -6.855 1.00 1.58 H new ATOM 0 HE1 MET A 89 -15.916 -5.341 -4.137 1.00 2.72 H new ATOM 0 HE2 MET A 89 -15.756 -5.275 -5.908 1.00 2.72 H new ATOM 0 HE3 MET A 89 -17.251 -4.706 -5.128 1.00 2.72 H new ATOM 1458 N ILE A 90 -11.748 -9.403 -6.614 1.00 0.53 N ATOM 1459 CA ILE A 90 -10.315 -9.401 -6.349 1.00 0.45 C ATOM 1460 C ILE A 90 -9.537 -9.192 -7.641 1.00 0.42 C ATOM 1461 O ILE A 90 -8.561 -8.440 -7.678 1.00 0.51 O ATOM 1462 CB ILE A 90 -9.872 -10.712 -5.675 1.00 0.48 C ATOM 1463 CG1 ILE A 90 -10.499 -10.809 -4.285 1.00 0.58 C ATOM 1464 CG2 ILE A 90 -8.354 -10.801 -5.593 1.00 0.49 C ATOM 1465 CD1 ILE A 90 -9.946 -9.811 -3.295 1.00 0.67 C ATOM 0 H ILE A 90 -12.208 -10.299 -6.455 1.00 0.53 H new ATOM 0 HA ILE A 90 -10.103 -8.577 -5.667 1.00 0.45 H new ATOM 0 HB ILE A 90 -10.216 -11.551 -6.280 1.00 0.48 H new ATOM 0 HG12 ILE A 90 -11.576 -10.662 -4.371 1.00 0.58 H new ATOM 0 HG13 ILE A 90 -10.345 -11.816 -3.897 1.00 0.58 H new ATOM 0 HG21 ILE A 90 -8.070 -11.737 -5.112 1.00 0.49 H new ATOM 0 HG22 ILE A 90 -7.933 -10.766 -6.598 1.00 0.49 H new ATOM 0 HG23 ILE A 90 -7.971 -9.963 -5.010 1.00 0.49 H new ATOM 0 HD11 ILE A 90 -10.440 -9.942 -2.332 1.00 0.67 H new ATOM 0 HD12 ILE A 90 -8.874 -9.971 -3.178 1.00 0.67 H new ATOM 0 HD13 ILE A 90 -10.124 -8.799 -3.660 1.00 0.67 H new ATOM 1477 N GLN A 91 -9.988 -9.842 -8.708 1.00 0.48 N ATOM 1478 CA GLN A 91 -9.383 -9.654 -10.019 1.00 0.52 C ATOM 1479 C GLN A 91 -9.663 -8.235 -10.490 1.00 0.44 C ATOM 1480 O GLN A 91 -8.838 -7.586 -11.130 1.00 0.40 O ATOM 1481 CB GLN A 91 -9.950 -10.646 -11.027 1.00 0.67 C ATOM 1482 CG GLN A 91 -9.901 -12.080 -10.551 1.00 0.79 C ATOM 1483 CD GLN A 91 -10.574 -13.039 -11.514 1.00 1.78 C ATOM 1484 OE1 GLN A 91 -10.209 -14.211 -11.595 1.00 2.50 O ATOM 1485 NE2 GLN A 91 -11.560 -12.547 -12.253 1.00 2.49 N ATOM 0 H GLN A 91 -10.767 -10.500 -8.690 1.00 0.48 H new ATOM 0 HA GLN A 91 -8.309 -9.823 -9.941 1.00 0.52 H new ATOM 0 HB2 GLN A 91 -10.984 -10.379 -11.246 1.00 0.67 H new ATOM 0 HB3 GLN A 91 -9.394 -10.562 -11.961 1.00 0.67 H new ATOM 0 HG2 GLN A 91 -8.861 -12.378 -10.415 1.00 0.79 H new ATOM 0 HG3 GLN A 91 -10.384 -12.152 -9.576 1.00 0.79 H new ATOM 0 HE21 GLN A 91 -11.832 -11.569 -12.155 1.00 2.49 H new ATOM 0 HE22 GLN A 91 -12.046 -13.147 -12.919 1.00 2.49 H new ATOM 1494 N GLU A 92 -10.846 -7.774 -10.131 1.00 0.47 N ATOM 1495 CA GLU A 92 -11.339 -6.467 -10.501 1.00 0.46 C ATOM 1496 C GLU A 92 -10.626 -5.360 -9.724 1.00 0.37 C ATOM 1497 O GLU A 92 -10.429 -4.262 -10.231 1.00 0.37 O ATOM 1498 CB GLU A 92 -12.833 -6.454 -10.238 1.00 0.58 C ATOM 1499 CG GLU A 92 -13.510 -5.129 -10.465 1.00 0.65 C ATOM 1500 CD GLU A 92 -14.992 -5.194 -10.161 1.00 0.83 C ATOM 1501 OE1 GLU A 92 -15.718 -5.910 -10.878 1.00 0.94 O ATOM 1502 OE2 GLU A 92 -15.437 -4.539 -9.198 1.00 1.27 O ATOM 0 H GLU A 92 -11.502 -8.310 -9.563 1.00 0.47 H new ATOM 0 HA GLU A 92 -11.140 -6.274 -11.555 1.00 0.46 H new ATOM 0 HB2 GLU A 92 -13.305 -7.200 -10.877 1.00 0.58 H new ATOM 0 HB3 GLU A 92 -13.007 -6.762 -9.207 1.00 0.58 H new ATOM 0 HG2 GLU A 92 -13.043 -4.370 -9.837 1.00 0.65 H new ATOM 0 HG3 GLU A 92 -13.365 -4.819 -11.500 1.00 0.65 H new ATOM 1509 N SER A 93 -10.234 -5.660 -8.498 1.00 0.34 N ATOM 1510 CA SER A 93 -9.513 -4.711 -7.673 1.00 0.34 C ATOM 1511 C SER A 93 -8.223 -4.302 -8.369 1.00 0.33 C ATOM 1512 O SER A 93 -8.032 -3.136 -8.728 1.00 0.32 O ATOM 1513 CB SER A 93 -9.208 -5.330 -6.308 1.00 0.43 C ATOM 1514 OG SER A 93 -8.715 -4.360 -5.404 1.00 1.28 O ATOM 0 H SER A 93 -10.405 -6.561 -8.051 1.00 0.34 H new ATOM 0 HA SER A 93 -10.129 -3.825 -7.523 1.00 0.34 H new ATOM 0 HB2 SER A 93 -10.112 -5.783 -5.901 1.00 0.43 H new ATOM 0 HB3 SER A 93 -8.475 -6.129 -6.424 1.00 0.43 H new ATOM 0 HG SER A 93 -8.963 -3.465 -5.717 1.00 1.28 H new ATOM 1520 N LYS A 94 -7.335 -5.270 -8.568 1.00 0.33 N ATOM 1521 CA LYS A 94 -6.115 -5.035 -9.320 1.00 0.34 C ATOM 1522 C LYS A 94 -6.409 -4.463 -10.715 1.00 0.32 C ATOM 1523 O LYS A 94 -5.694 -3.575 -11.174 1.00 0.33 O ATOM 1524 CB LYS A 94 -5.281 -6.307 -9.437 1.00 0.36 C ATOM 1525 CG LYS A 94 -6.066 -7.517 -9.880 1.00 0.37 C ATOM 1526 CD LYS A 94 -5.144 -8.682 -10.176 1.00 0.43 C ATOM 1527 CE LYS A 94 -5.922 -9.914 -10.595 1.00 1.37 C ATOM 1528 NZ LYS A 94 -5.025 -11.051 -10.923 1.00 1.91 N ATOM 0 H LYS A 94 -7.440 -6.222 -8.218 1.00 0.33 H new ATOM 0 HA LYS A 94 -5.539 -4.294 -8.765 1.00 0.34 H new ATOM 0 HB2 LYS A 94 -4.470 -6.134 -10.145 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -4.822 -6.518 -8.471 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -6.776 -7.799 -9.103 1.00 0.37 H new ATOM 0 HG3 LYS A 94 -6.647 -7.273 -10.769 1.00 0.37 H new ATOM 0 HD2 LYS A 94 -4.447 -8.404 -10.967 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.548 -8.910 -9.292 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -6.599 -10.206 -9.792 1.00 1.37 H new ATOM 0 HE3 LYS A 94 -6.539 -9.676 -11.462 1.00 1.37 H new ATOM 0 HZ1 LYS A 94 -5.596 -11.873 -11.205 1.00 1.91 H new ATOM 0 HZ2 LYS A 94 -4.396 -10.782 -11.706 1.00 1.91 H new ATOM 0 HZ3 LYS A 94 -4.454 -11.295 -10.088 1.00 1.91 H new ATOM 1542 N GLU A 95 -7.472 -4.944 -11.379 1.00 0.33 N ATOM 1543 CA GLU A 95 -7.805 -4.464 -12.724 1.00 0.35 C ATOM 1544 C GLU A 95 -8.187 -2.984 -12.704 1.00 0.31 C ATOM 1545 O GLU A 95 -8.025 -2.280 -13.702 1.00 0.37 O ATOM 1546 CB GLU A 95 -8.936 -5.297 -13.358 1.00 0.49 C ATOM 1547 CG GLU A 95 -10.332 -4.726 -13.147 1.00 0.56 C ATOM 1548 CD GLU A 95 -11.394 -5.435 -13.962 1.00 1.32 C ATOM 1549 OE1 GLU A 95 -11.607 -6.646 -13.745 1.00 1.84 O ATOM 1550 OE2 GLU A 95 -12.022 -4.790 -14.828 1.00 1.72 O ATOM 0 H GLU A 95 -8.105 -5.654 -11.011 1.00 0.33 H new ATOM 0 HA GLU A 95 -6.911 -4.582 -13.337 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -8.750 -5.384 -14.429 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -8.903 -6.305 -12.946 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -10.589 -4.793 -12.090 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -10.328 -3.668 -13.408 1.00 0.56 H new ATOM 1557 N LEU A 96 -8.675 -2.514 -11.564 1.00 0.28 N ATOM 1558 CA LEU A 96 -9.100 -1.128 -11.432 1.00 0.28 C ATOM 1559 C LEU A 96 -7.939 -0.222 -11.063 1.00 0.28 C ATOM 1560 O LEU A 96 -8.005 0.995 -11.237 1.00 0.47 O ATOM 1561 CB LEU A 96 -10.198 -0.999 -10.388 1.00 0.34 C ATOM 1562 CG LEU A 96 -11.592 -1.414 -10.848 1.00 0.55 C ATOM 1563 CD1 LEU A 96 -12.607 -1.094 -9.772 1.00 1.16 C ATOM 1564 CD2 LEU A 96 -11.952 -0.719 -12.152 1.00 1.25 C ATOM 0 H LEU A 96 -8.786 -3.072 -10.718 1.00 0.28 H new ATOM 0 HA LEU A 96 -9.487 -0.815 -12.402 1.00 0.28 H new ATOM 0 HB2 LEU A 96 -9.925 -1.603 -9.522 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -10.238 0.038 -10.054 1.00 0.34 H new ATOM 0 HG LEU A 96 -11.599 -2.489 -11.025 1.00 0.55 H new ATOM 0 HD11 LEU A 96 -13.600 -1.393 -10.108 1.00 1.16 H new ATOM 0 HD12 LEU A 96 -12.354 -1.635 -8.860 1.00 1.16 H new ATOM 0 HD13 LEU A 96 -12.599 -0.023 -9.572 1.00 1.16 H new ATOM 0 HD21 LEU A 96 -12.950 -1.027 -12.465 1.00 1.25 H new ATOM 0 HD22 LEU A 96 -11.935 0.361 -12.005 1.00 1.25 H new ATOM 0 HD23 LEU A 96 -11.230 -0.992 -12.921 1.00 1.25 H new ATOM 1576 N GLY A 97 -6.880 -0.813 -10.545 1.00 0.20 N ATOM 1577 CA GLY A 97 -5.724 -0.033 -10.178 1.00 0.21 C ATOM 1578 C GLY A 97 -5.051 -0.529 -8.917 1.00 0.20 C ATOM 1579 O GLY A 97 -4.345 0.230 -8.255 1.00 0.35 O ATOM 0 H GLY A 97 -6.800 -1.815 -10.372 1.00 0.20 H new ATOM 0 HA2 GLY A 97 -5.006 -0.051 -10.998 1.00 0.21 H new ATOM 0 HA3 GLY A 97 -6.023 1.006 -10.039 1.00 0.21 H new ATOM 1583 N ALA A 98 -5.305 -1.771 -8.541 1.00 0.15 N ATOM 1584 CA ALA A 98 -4.530 -2.404 -7.497 1.00 0.13 C ATOM 1585 C ALA A 98 -3.362 -3.136 -8.125 1.00 0.14 C ATOM 1586 O ALA A 98 -3.487 -3.716 -9.200 1.00 0.21 O ATOM 1587 CB ALA A 98 -5.388 -3.350 -6.664 1.00 0.17 C ATOM 0 H ALA A 98 -6.038 -2.355 -8.943 1.00 0.15 H new ATOM 0 HA ALA A 98 -4.153 -1.638 -6.819 1.00 0.13 H new ATOM 0 HB1 ALA A 98 -4.775 -3.809 -5.888 1.00 0.17 H new ATOM 0 HB2 ALA A 98 -6.201 -2.791 -6.201 1.00 0.17 H new ATOM 0 HB3 ALA A 98 -5.802 -4.127 -7.307 1.00 0.17 H new ATOM 1593 N LEU A 99 -2.220 -3.079 -7.482 1.00 0.15 N ATOM 1594 CA LEU A 99 -1.043 -3.715 -8.014 1.00 0.16 C ATOM 1595 C LEU A 99 -1.045 -5.172 -7.655 1.00 0.15 C ATOM 1596 O LEU A 99 -0.863 -6.051 -8.501 1.00 0.17 O ATOM 1597 CB LEU A 99 0.199 -3.098 -7.415 1.00 0.18 C ATOM 1598 CG LEU A 99 0.191 -1.585 -7.367 1.00 0.17 C ATOM 1599 CD1 LEU A 99 1.388 -1.072 -6.589 1.00 0.17 C ATOM 1600 CD2 LEU A 99 0.170 -1.010 -8.776 1.00 0.18 C ATOM 0 H LEU A 99 -2.083 -2.600 -6.592 1.00 0.15 H new ATOM 0 HA LEU A 99 -1.047 -3.585 -9.096 1.00 0.16 H new ATOM 0 HB2 LEU A 99 0.326 -3.480 -6.402 1.00 0.18 H new ATOM 0 HB3 LEU A 99 1.065 -3.426 -7.990 1.00 0.18 H new ATOM 0 HG LEU A 99 -0.712 -1.257 -6.852 1.00 0.17 H new ATOM 0 HD11 LEU A 99 1.366 0.018 -6.565 1.00 0.17 H new ATOM 0 HD12 LEU A 99 1.353 -1.459 -5.570 1.00 0.17 H new ATOM 0 HD13 LEU A 99 2.306 -1.406 -7.072 1.00 0.17 H new ATOM 0 HD21 LEU A 99 0.164 0.079 -8.725 1.00 0.18 H new ATOM 0 HD22 LEU A 99 1.055 -1.343 -9.318 1.00 0.18 H new ATOM 0 HD23 LEU A 99 -0.725 -1.353 -9.296 1.00 0.18 H new ATOM 1612 N THR A 100 -1.280 -5.410 -6.381 1.00 0.14 N ATOM 1613 CA THR A 100 -1.146 -6.727 -5.822 1.00 0.14 C ATOM 1614 C THR A 100 -2.204 -6.999 -4.766 1.00 0.15 C ATOM 1615 O THR A 100 -2.668 -6.084 -4.084 1.00 0.13 O ATOM 1616 CB THR A 100 0.240 -6.893 -5.178 1.00 0.16 C ATOM 1617 OG1 THR A 100 0.429 -5.861 -4.209 1.00 0.19 O ATOM 1618 CG2 THR A 100 1.347 -6.809 -6.215 1.00 0.16 C ATOM 0 H THR A 100 -1.568 -4.696 -5.712 1.00 0.14 H new ATOM 0 HA THR A 100 -1.272 -7.437 -6.639 1.00 0.14 H new ATOM 0 HB THR A 100 0.285 -7.876 -4.709 1.00 0.16 H new ATOM 0 HG1 THR A 100 0.895 -6.227 -3.428 1.00 0.19 H new ATOM 0 HG21 THR A 100 2.314 -6.930 -5.726 1.00 0.16 H new ATOM 0 HG22 THR A 100 1.213 -7.598 -6.955 1.00 0.16 H new ATOM 0 HG23 THR A 100 1.310 -5.838 -6.709 1.00 0.16 H new ATOM 1626 N ALA A 101 -2.558 -8.267 -4.644 1.00 0.26 N ATOM 1627 CA ALA A 101 -3.451 -8.726 -3.605 1.00 0.27 C ATOM 1628 C ALA A 101 -2.681 -9.606 -2.632 1.00 0.36 C ATOM 1629 O ALA A 101 -2.449 -10.787 -2.895 1.00 0.52 O ATOM 1630 CB ALA A 101 -4.625 -9.481 -4.211 1.00 0.36 C ATOM 0 H ALA A 101 -2.231 -9.006 -5.267 1.00 0.26 H new ATOM 0 HA ALA A 101 -3.851 -7.868 -3.064 1.00 0.27 H new ATOM 0 HB1 ALA A 101 -5.289 -9.820 -3.416 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -5.173 -8.822 -4.884 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -4.255 -10.342 -4.767 1.00 0.36 H new ATOM 1636 N PHE A 102 -2.246 -9.019 -1.532 1.00 0.41 N ATOM 1637 CA PHE A 102 -1.463 -9.745 -0.545 1.00 0.58 C ATOM 1638 C PHE A 102 -2.366 -10.378 0.499 1.00 0.39 C ATOM 1639 O PHE A 102 -3.450 -9.869 0.787 1.00 0.46 O ATOM 1640 CB PHE A 102 -0.435 -8.828 0.117 1.00 0.92 C ATOM 1641 CG PHE A 102 0.807 -8.639 -0.707 1.00 1.68 C ATOM 1642 CD1 PHE A 102 1.622 -9.719 -1.008 1.00 2.38 C ATOM 1643 CD2 PHE A 102 1.154 -7.391 -1.190 1.00 2.35 C ATOM 1644 CE1 PHE A 102 2.761 -9.553 -1.771 1.00 3.38 C ATOM 1645 CE2 PHE A 102 2.293 -7.220 -1.954 1.00 3.44 C ATOM 1646 CZ PHE A 102 3.096 -8.302 -2.246 1.00 3.86 C ATOM 0 H PHE A 102 -2.421 -8.042 -1.298 1.00 0.41 H new ATOM 0 HA PHE A 102 -0.926 -10.541 -1.060 1.00 0.58 H new ATOM 0 HB2 PHE A 102 -0.891 -7.856 0.303 1.00 0.92 H new ATOM 0 HB3 PHE A 102 -0.160 -9.242 1.087 1.00 0.92 H new ATOM 0 HD1 PHE A 102 1.363 -10.701 -0.642 1.00 2.38 H new ATOM 0 HD2 PHE A 102 0.528 -6.540 -0.968 1.00 2.35 H new ATOM 0 HE1 PHE A 102 3.389 -10.402 -1.996 1.00 3.38 H new ATOM 0 HE2 PHE A 102 2.554 -6.239 -2.322 1.00 3.44 H new ATOM 0 HZ PHE A 102 3.985 -8.170 -2.845 1.00 3.86 H new ATOM 1656 N ALA A 103 -1.922 -11.497 1.052 1.00 0.40 N ATOM 1657 CA ALA A 103 -2.712 -12.240 2.011 1.00 0.44 C ATOM 1658 C ALA A 103 -1.975 -12.393 3.336 1.00 0.65 C ATOM 1659 O ALA A 103 -0.922 -11.788 3.539 1.00 0.76 O ATOM 1660 CB ALA A 103 -3.041 -13.599 1.429 1.00 0.57 C ATOM 0 H ALA A 103 -1.012 -11.909 0.848 1.00 0.40 H new ATOM 0 HA ALA A 103 -3.632 -11.691 2.212 1.00 0.44 H new ATOM 0 HB1 ALA A 103 -3.636 -14.167 2.144 1.00 0.57 H new ATOM 0 HB2 ALA A 103 -3.607 -13.472 0.506 1.00 0.57 H new ATOM 0 HB3 ALA A 103 -2.117 -14.138 1.217 1.00 0.57 H new ATOM 1666 N LYS A 104 -2.541 -13.210 4.226 1.00 0.84 N ATOM 1667 CA LYS A 104 -1.938 -13.486 5.529 1.00 1.12 C ATOM 1668 C LYS A 104 -0.516 -14.043 5.392 1.00 1.08 C ATOM 1669 O LYS A 104 0.388 -13.601 6.099 1.00 1.13 O ATOM 1670 CB LYS A 104 -2.816 -14.447 6.339 1.00 1.55 C ATOM 1671 CG LYS A 104 -2.204 -14.847 7.674 1.00 1.83 C ATOM 1672 CD LYS A 104 -3.153 -15.702 8.498 1.00 2.48 C ATOM 1673 CE LYS A 104 -4.378 -14.910 8.936 1.00 2.95 C ATOM 1674 NZ LYS A 104 -5.286 -15.719 9.791 1.00 3.35 N ATOM 0 H LYS A 104 -3.424 -13.695 4.065 1.00 0.84 H new ATOM 0 HA LYS A 104 -1.870 -12.539 6.064 1.00 1.12 H new ATOM 0 HB2 LYS A 104 -3.784 -13.979 6.517 1.00 1.55 H new ATOM 0 HB3 LYS A 104 -2.999 -15.345 5.749 1.00 1.55 H new ATOM 0 HG2 LYS A 104 -1.279 -15.396 7.499 1.00 1.83 H new ATOM 0 HG3 LYS A 104 -1.941 -13.951 8.236 1.00 1.83 H new ATOM 0 HD2 LYS A 104 -3.467 -16.566 7.913 1.00 2.48 H new ATOM 0 HD3 LYS A 104 -2.632 -16.084 9.376 1.00 2.48 H new ATOM 0 HE2 LYS A 104 -4.060 -14.023 9.483 1.00 2.95 H new ATOM 0 HE3 LYS A 104 -4.920 -14.565 8.056 1.00 2.95 H new ATOM 0 HZ1 LYS A 104 -6.107 -15.143 10.067 1.00 3.35 H new ATOM 0 HZ2 LYS A 104 -5.611 -16.553 9.261 1.00 3.35 H new ATOM 0 HZ3 LYS A 104 -4.777 -16.028 10.644 1.00 3.35 H new ATOM 1688 N PRO A 105 -0.276 -15.040 4.514 1.00 1.09 N ATOM 1689 CA PRO A 105 1.087 -15.452 4.214 1.00 1.13 C ATOM 1690 C PRO A 105 1.792 -14.418 3.345 1.00 0.95 C ATOM 1691 O PRO A 105 1.625 -14.389 2.124 1.00 0.91 O ATOM 1692 CB PRO A 105 0.917 -16.775 3.465 1.00 1.28 C ATOM 1693 CG PRO A 105 -0.445 -16.704 2.863 1.00 1.36 C ATOM 1694 CD PRO A 105 -1.276 -15.857 3.792 1.00 1.17 C ATOM 0 HA PRO A 105 1.700 -15.554 5.109 1.00 1.13 H new ATOM 0 HB2 PRO A 105 1.682 -16.896 2.698 1.00 1.28 H new ATOM 0 HB3 PRO A 105 1.006 -17.626 4.141 1.00 1.28 H new ATOM 0 HG2 PRO A 105 -0.407 -16.265 1.866 1.00 1.36 H new ATOM 0 HG3 PRO A 105 -0.875 -17.700 2.756 1.00 1.36 H new ATOM 0 HD2 PRO A 105 -1.980 -15.233 3.242 1.00 1.17 H new ATOM 0 HD3 PRO A 105 -1.861 -16.471 4.477 1.00 1.17 H new ATOM 1702 N PHE A 106 2.554 -13.549 3.987 1.00 0.92 N ATOM 1703 CA PHE A 106 3.312 -12.530 3.282 1.00 0.81 C ATOM 1704 C PHE A 106 4.709 -12.413 3.868 1.00 0.81 C ATOM 1705 O PHE A 106 4.894 -12.439 5.082 1.00 0.86 O ATOM 1706 CB PHE A 106 2.588 -11.171 3.316 1.00 0.76 C ATOM 1707 CG PHE A 106 2.441 -10.558 4.686 1.00 0.80 C ATOM 1708 CD1 PHE A 106 1.381 -10.909 5.508 1.00 0.98 C ATOM 1709 CD2 PHE A 106 3.366 -9.642 5.156 1.00 0.76 C ATOM 1710 CE1 PHE A 106 1.251 -10.357 6.768 1.00 1.10 C ATOM 1711 CE2 PHE A 106 3.240 -9.086 6.414 1.00 0.85 C ATOM 1712 CZ PHE A 106 2.160 -9.413 7.205 1.00 1.02 C ATOM 0 H PHE A 106 2.664 -13.529 5.001 1.00 0.92 H new ATOM 0 HA PHE A 106 3.397 -12.831 2.238 1.00 0.81 H new ATOM 0 HB2 PHE A 106 3.130 -10.472 2.679 1.00 0.76 H new ATOM 0 HB3 PHE A 106 1.596 -11.295 2.882 1.00 0.76 H new ATOM 0 HD1 PHE A 106 0.649 -11.622 5.159 1.00 0.98 H new ATOM 0 HD2 PHE A 106 4.199 -9.358 4.530 1.00 0.76 H new ATOM 0 HE1 PHE A 106 0.439 -10.663 7.411 1.00 1.10 H new ATOM 0 HE2 PHE A 106 3.987 -8.396 6.777 1.00 0.85 H new ATOM 0 HZ PHE A 106 2.025 -8.933 8.163 1.00 1.02 H new ATOM 1722 N ASP A 107 5.687 -12.275 2.995 1.00 0.79 N ATOM 1723 CA ASP A 107 7.087 -12.234 3.390 1.00 0.82 C ATOM 1724 C ASP A 107 7.448 -10.873 3.987 1.00 0.73 C ATOM 1725 O ASP A 107 8.552 -10.672 4.482 1.00 0.72 O ATOM 1726 CB ASP A 107 7.938 -12.543 2.159 1.00 0.88 C ATOM 1727 CG ASP A 107 9.427 -12.414 2.401 1.00 1.35 C ATOM 1728 OD1 ASP A 107 10.017 -13.346 2.982 1.00 1.63 O ATOM 1729 OD2 ASP A 107 10.007 -11.372 2.025 1.00 1.77 O ATOM 0 H ASP A 107 5.537 -12.188 1.990 1.00 0.79 H new ATOM 0 HA ASP A 107 7.278 -12.977 4.164 1.00 0.82 H new ATOM 0 HB2 ASP A 107 7.720 -13.557 1.823 1.00 0.88 H new ATOM 0 HB3 ASP A 107 7.650 -11.870 1.351 1.00 0.88 H new ATOM 1734 N ILE A 108 6.451 -9.984 4.003 1.00 0.73 N ATOM 1735 CA ILE A 108 6.598 -8.553 4.345 1.00 0.71 C ATOM 1736 C ILE A 108 7.631 -7.839 3.459 1.00 0.66 C ATOM 1737 O ILE A 108 7.325 -6.800 2.869 1.00 0.63 O ATOM 1738 CB ILE A 108 6.824 -8.255 5.876 1.00 0.77 C ATOM 1739 CG1 ILE A 108 8.134 -7.487 6.153 1.00 0.67 C ATOM 1740 CG2 ILE A 108 6.749 -9.519 6.727 1.00 1.33 C ATOM 1741 CD1 ILE A 108 9.346 -8.364 6.417 1.00 1.39 C ATOM 0 H ILE A 108 5.491 -10.239 3.773 1.00 0.73 H new ATOM 0 HA ILE A 108 5.621 -8.124 4.122 1.00 0.71 H new ATOM 0 HB ILE A 108 6.001 -7.603 6.170 1.00 0.77 H new ATOM 0 HG12 ILE A 108 8.348 -6.844 5.300 1.00 0.67 H new ATOM 0 HG13 ILE A 108 7.981 -6.835 7.013 1.00 0.67 H new ATOM 0 HG21 ILE A 108 6.911 -9.263 7.774 1.00 1.33 H new ATOM 0 HG22 ILE A 108 5.766 -9.976 6.613 1.00 1.33 H new ATOM 0 HG23 ILE A 108 7.516 -10.222 6.403 1.00 1.33 H new ATOM 0 HD11 ILE A 108 10.217 -7.735 6.601 1.00 1.39 H new ATOM 0 HD12 ILE A 108 9.159 -8.989 7.290 1.00 1.39 H new ATOM 0 HD13 ILE A 108 9.532 -8.998 5.550 1.00 1.39 H new ATOM 1753 N ASP A 109 8.824 -8.404 3.319 1.00 0.68 N ATOM 1754 CA ASP A 109 9.845 -7.807 2.477 1.00 0.67 C ATOM 1755 C ASP A 109 9.446 -7.938 1.024 1.00 0.62 C ATOM 1756 O ASP A 109 9.846 -7.136 0.198 1.00 0.58 O ATOM 1757 CB ASP A 109 11.206 -8.459 2.689 1.00 0.73 C ATOM 1758 CG ASP A 109 12.343 -7.466 2.574 1.00 0.95 C ATOM 1759 OD1 ASP A 109 12.543 -6.669 3.515 1.00 1.16 O ATOM 1760 OD2 ASP A 109 13.038 -7.471 1.536 1.00 1.08 O ATOM 0 H ASP A 109 9.105 -9.271 3.777 1.00 0.68 H new ATOM 0 HA ASP A 109 9.929 -6.755 2.751 1.00 0.67 H new ATOM 0 HB2 ASP A 109 11.233 -8.927 3.673 1.00 0.73 H new ATOM 0 HB3 ASP A 109 11.344 -9.253 1.955 1.00 0.73 H new ATOM 1765 N GLU A 110 8.645 -8.954 0.715 1.00 0.65 N ATOM 1766 CA GLU A 110 8.108 -9.099 -0.629 1.00 0.64 C ATOM 1767 C GLU A 110 7.122 -7.974 -0.913 1.00 0.59 C ATOM 1768 O GLU A 110 6.888 -7.619 -2.061 1.00 0.58 O ATOM 1769 CB GLU A 110 7.409 -10.448 -0.813 1.00 0.68 C ATOM 1770 CG GLU A 110 6.039 -10.532 -0.154 1.00 0.67 C ATOM 1771 CD GLU A 110 5.299 -11.797 -0.516 1.00 0.72 C ATOM 1772 OE1 GLU A 110 5.147 -12.073 -1.722 1.00 0.72 O ATOM 1773 OE2 GLU A 110 4.871 -12.522 0.406 1.00 0.84 O ATOM 0 H GLU A 110 8.358 -9.680 1.371 1.00 0.65 H new ATOM 0 HA GLU A 110 8.942 -9.050 -1.329 1.00 0.64 H new ATOM 0 HB2 GLU A 110 7.300 -10.647 -1.879 1.00 0.68 H new ATOM 0 HB3 GLU A 110 8.045 -11.234 -0.406 1.00 0.68 H new ATOM 0 HG2 GLU A 110 6.157 -10.481 0.928 1.00 0.67 H new ATOM 0 HG3 GLU A 110 5.443 -9.669 -0.451 1.00 0.67 H new ATOM 1780 N ILE A 111 6.544 -7.424 0.151 1.00 0.57 N ATOM 1781 CA ILE A 111 5.600 -6.322 0.040 1.00 0.54 C ATOM 1782 C ILE A 111 6.338 -5.001 -0.120 1.00 0.48 C ATOM 1783 O ILE A 111 5.944 -4.163 -0.929 1.00 0.46 O ATOM 1784 CB ILE A 111 4.663 -6.289 1.263 1.00 0.58 C ATOM 1785 CG1 ILE A 111 3.930 -7.629 1.383 1.00 0.69 C ATOM 1786 CG2 ILE A 111 3.674 -5.148 1.147 1.00 0.56 C ATOM 1787 CD1 ILE A 111 2.858 -7.656 2.452 1.00 0.74 C ATOM 0 H ILE A 111 6.717 -7.729 1.109 1.00 0.57 H new ATOM 0 HA ILE A 111 4.989 -6.476 -0.849 1.00 0.54 H new ATOM 0 HB ILE A 111 5.257 -6.127 2.162 1.00 0.58 H new ATOM 0 HG12 ILE A 111 3.475 -7.869 0.422 1.00 0.69 H new ATOM 0 HG13 ILE A 111 4.659 -8.411 1.595 1.00 0.69 H new ATOM 0 HG21 ILE A 111 3.021 -5.142 2.020 1.00 0.56 H new ATOM 0 HG22 ILE A 111 4.214 -4.203 1.091 1.00 0.56 H new ATOM 0 HG23 ILE A 111 3.074 -5.277 0.246 1.00 0.56 H new ATOM 0 HD11 ILE A 111 2.388 -8.639 2.471 1.00 0.74 H new ATOM 0 HD12 ILE A 111 3.307 -7.449 3.423 1.00 0.74 H new ATOM 0 HD13 ILE A 111 2.106 -6.899 2.232 1.00 0.74 H new ATOM 1799 N ARG A 112 7.427 -4.816 0.619 1.00 0.48 N ATOM 1800 CA ARG A 112 8.256 -3.637 0.402 1.00 0.46 C ATOM 1801 C ARG A 112 8.941 -3.751 -0.945 1.00 0.47 C ATOM 1802 O ARG A 112 9.085 -2.774 -1.674 1.00 0.47 O ATOM 1803 CB ARG A 112 9.284 -3.424 1.530 1.00 0.48 C ATOM 1804 CG ARG A 112 10.450 -4.405 1.567 1.00 0.51 C ATOM 1805 CD ARG A 112 11.563 -4.016 0.599 1.00 0.50 C ATOM 1806 NE ARG A 112 12.741 -4.858 0.774 1.00 0.56 N ATOM 1807 CZ ARG A 112 13.982 -4.398 0.883 1.00 0.62 C ATOM 1808 NH1 ARG A 112 14.226 -3.094 0.815 1.00 0.64 N ATOM 1809 NH2 ARG A 112 14.980 -5.252 1.074 1.00 0.72 N ATOM 0 H ARG A 112 7.749 -5.447 1.353 1.00 0.48 H new ATOM 0 HA ARG A 112 7.609 -2.760 0.411 1.00 0.46 H new ATOM 0 HB2 ARG A 112 9.687 -2.415 1.441 1.00 0.48 H new ATOM 0 HB3 ARG A 112 8.761 -3.476 2.485 1.00 0.48 H new ATOM 0 HG2 ARG A 112 10.851 -4.451 2.579 1.00 0.51 H new ATOM 0 HG3 ARG A 112 10.090 -5.404 1.321 1.00 0.51 H new ATOM 0 HD2 ARG A 112 11.202 -4.102 -0.426 1.00 0.50 H new ATOM 0 HD3 ARG A 112 11.834 -2.972 0.755 1.00 0.50 H new ATOM 0 HE ARG A 112 12.602 -5.868 0.815 1.00 0.56 H new ATOM 0 HH11 ARG A 112 13.457 -2.438 0.678 1.00 0.64 H new ATOM 0 HH12 ARG A 112 15.182 -2.749 0.900 1.00 0.64 H new ATOM 0 HH21 ARG A 112 14.790 -6.252 1.136 1.00 0.72 H new ATOM 0 HH22 ARG A 112 15.936 -4.908 1.159 1.00 0.72 H new ATOM 1823 N ASP A 113 9.343 -4.963 -1.289 1.00 0.50 N ATOM 1824 CA ASP A 113 10.004 -5.185 -2.544 1.00 0.53 C ATOM 1825 C ASP A 113 8.999 -4.970 -3.666 1.00 0.54 C ATOM 1826 O ASP A 113 9.342 -4.502 -4.747 1.00 0.59 O ATOM 1827 CB ASP A 113 10.605 -6.590 -2.622 1.00 0.58 C ATOM 1828 CG ASP A 113 11.277 -6.865 -3.954 1.00 0.67 C ATOM 1829 OD1 ASP A 113 12.426 -6.416 -4.151 1.00 0.77 O ATOM 1830 OD2 ASP A 113 10.658 -7.524 -4.812 1.00 0.78 O ATOM 0 H ASP A 113 9.220 -5.797 -0.715 1.00 0.50 H new ATOM 0 HA ASP A 113 10.829 -4.480 -2.641 1.00 0.53 H new ATOM 0 HB2 ASP A 113 11.332 -6.715 -1.820 1.00 0.58 H new ATOM 0 HB3 ASP A 113 9.819 -7.327 -2.457 1.00 0.58 H new ATOM 1835 N ALA A 114 7.741 -5.299 -3.374 1.00 0.54 N ATOM 1836 CA ALA A 114 6.646 -5.069 -4.302 1.00 0.57 C ATOM 1837 C ALA A 114 6.448 -3.582 -4.554 1.00 0.52 C ATOM 1838 O ALA A 114 6.278 -3.156 -5.697 1.00 0.57 O ATOM 1839 CB ALA A 114 5.354 -5.686 -3.789 1.00 0.59 C ATOM 0 H ALA A 114 7.459 -5.729 -2.493 1.00 0.54 H new ATOM 0 HA ALA A 114 6.909 -5.550 -5.244 1.00 0.57 H new ATOM 0 HB1 ALA A 114 4.552 -5.498 -4.503 1.00 0.59 H new ATOM 0 HB2 ALA A 114 5.487 -6.761 -3.667 1.00 0.59 H new ATOM 0 HB3 ALA A 114 5.095 -5.242 -2.828 1.00 0.59 H new ATOM 1845 N VAL A 115 6.483 -2.777 -3.502 1.00 0.46 N ATOM 1846 CA VAL A 115 6.262 -1.361 -3.695 1.00 0.41 C ATOM 1847 C VAL A 115 7.379 -0.747 -4.542 1.00 0.45 C ATOM 1848 O VAL A 115 7.113 0.073 -5.417 1.00 0.47 O ATOM 1849 CB VAL A 115 6.077 -0.563 -2.385 1.00 0.34 C ATOM 1850 CG1 VAL A 115 4.927 -1.134 -1.583 1.00 0.36 C ATOM 1851 CG2 VAL A 115 7.342 -0.511 -1.550 1.00 0.37 C ATOM 0 H VAL A 115 6.656 -3.070 -2.541 1.00 0.46 H new ATOM 0 HA VAL A 115 5.314 -1.285 -4.227 1.00 0.41 H new ATOM 0 HB VAL A 115 5.845 0.465 -2.663 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.807 -0.563 -0.662 1.00 0.36 H new ATOM 0 HG12 VAL A 115 4.010 -1.075 -2.169 1.00 0.36 H new ATOM 0 HG13 VAL A 115 5.135 -2.176 -1.339 1.00 0.36 H new ATOM 0 HG21 VAL A 115 7.155 0.062 -0.642 1.00 0.37 H new ATOM 0 HG22 VAL A 115 7.645 -1.524 -1.285 1.00 0.37 H new ATOM 0 HG23 VAL A 115 8.137 -0.033 -2.123 1.00 0.37 H new ATOM 1861 N LYS A 116 8.626 -1.179 -4.310 1.00 0.50 N ATOM 1862 CA LYS A 116 9.762 -0.657 -5.074 1.00 0.59 C ATOM 1863 C LYS A 116 9.864 -1.285 -6.468 1.00 0.69 C ATOM 1864 O LYS A 116 10.503 -0.727 -7.351 1.00 0.85 O ATOM 1865 CB LYS A 116 11.090 -0.824 -4.306 1.00 0.76 C ATOM 1866 CG LYS A 116 11.262 -2.172 -3.621 1.00 1.16 C ATOM 1867 CD LYS A 116 12.409 -2.990 -4.201 1.00 0.92 C ATOM 1868 CE LYS A 116 12.115 -3.454 -5.616 1.00 0.80 C ATOM 1869 NZ LYS A 116 12.975 -4.598 -6.009 1.00 1.04 N ATOM 0 H LYS A 116 8.870 -1.879 -3.609 1.00 0.50 H new ATOM 0 HA LYS A 116 9.577 0.409 -5.207 1.00 0.59 H new ATOM 0 HB2 LYS A 116 11.917 -0.676 -5.001 1.00 0.76 H new ATOM 0 HB3 LYS A 116 11.161 -0.038 -3.554 1.00 0.76 H new ATOM 0 HG2 LYS A 116 11.437 -2.013 -2.557 1.00 1.16 H new ATOM 0 HG3 LYS A 116 10.336 -2.740 -3.710 1.00 1.16 H new ATOM 0 HD2 LYS A 116 13.320 -2.391 -4.197 1.00 0.92 H new ATOM 0 HD3 LYS A 116 12.594 -3.856 -3.566 1.00 0.92 H new ATOM 0 HE2 LYS A 116 11.067 -3.743 -5.694 1.00 0.80 H new ATOM 0 HE3 LYS A 116 12.270 -2.627 -6.309 1.00 0.80 H new ATOM 0 HZ1 LYS A 116 12.769 -4.865 -6.993 1.00 1.04 H new ATOM 0 HZ2 LYS A 116 13.975 -4.325 -5.926 1.00 1.04 H new ATOM 0 HZ3 LYS A 116 12.784 -5.407 -5.384 1.00 1.04 H new ATOM 1883 N LYS A 117 9.272 -2.455 -6.675 1.00 0.71 N ATOM 1884 CA LYS A 117 9.253 -3.034 -8.015 1.00 0.81 C ATOM 1885 C LYS A 117 8.168 -2.385 -8.877 1.00 0.79 C ATOM 1886 O LYS A 117 8.256 -2.394 -10.105 1.00 0.90 O ATOM 1887 CB LYS A 117 9.062 -4.557 -7.982 1.00 0.89 C ATOM 1888 CG LYS A 117 7.793 -5.001 -7.279 1.00 0.85 C ATOM 1889 CD LYS A 117 7.396 -6.433 -7.623 1.00 1.09 C ATOM 1890 CE LYS A 117 8.239 -7.473 -6.891 1.00 1.08 C ATOM 1891 NZ LYS A 117 9.651 -7.508 -7.360 1.00 1.48 N ATOM 0 H LYS A 117 8.810 -3.010 -5.955 1.00 0.71 H new ATOM 0 HA LYS A 117 10.227 -2.831 -8.461 1.00 0.81 H new ATOM 0 HB2 LYS A 117 9.051 -4.934 -9.005 1.00 0.89 H new ATOM 0 HB3 LYS A 117 9.919 -5.010 -7.484 1.00 0.89 H new ATOM 0 HG2 LYS A 117 7.932 -4.916 -6.201 1.00 0.85 H new ATOM 0 HG3 LYS A 117 6.979 -4.328 -7.549 1.00 0.85 H new ATOM 0 HD2 LYS A 117 6.345 -6.583 -7.374 1.00 1.09 H new ATOM 0 HD3 LYS A 117 7.494 -6.584 -8.698 1.00 1.09 H new ATOM 0 HE2 LYS A 117 8.222 -7.260 -5.822 1.00 1.08 H new ATOM 0 HE3 LYS A 117 7.792 -8.458 -7.028 1.00 1.08 H new ATOM 0 HZ1 LYS A 117 9.916 -8.487 -7.590 1.00 1.48 H new ATOM 0 HZ2 LYS A 117 9.750 -6.914 -8.208 1.00 1.48 H new ATOM 0 HZ3 LYS A 117 10.275 -7.148 -6.610 1.00 1.48 H new ATOM 1905 N TYR A 118 7.141 -1.831 -8.239 1.00 0.69 N ATOM 1906 CA TYR A 118 6.093 -1.130 -8.975 1.00 0.68 C ATOM 1907 C TYR A 118 6.386 0.361 -9.097 1.00 0.69 C ATOM 1908 O TYR A 118 6.703 0.848 -10.186 1.00 0.77 O ATOM 1909 CB TYR A 118 4.721 -1.359 -8.337 1.00 0.64 C ATOM 1910 CG TYR A 118 4.118 -2.698 -8.694 1.00 0.88 C ATOM 1911 CD1 TYR A 118 4.363 -3.824 -7.921 1.00 1.04 C ATOM 1912 CD2 TYR A 118 3.315 -2.837 -9.818 1.00 1.48 C ATOM 1913 CE1 TYR A 118 3.824 -5.051 -8.255 1.00 1.43 C ATOM 1914 CE2 TYR A 118 2.768 -4.059 -10.158 1.00 1.86 C ATOM 1915 CZ TYR A 118 3.029 -5.162 -9.374 1.00 1.73 C ATOM 1916 OH TYR A 118 2.494 -6.383 -9.715 1.00 2.21 O ATOM 0 H TYR A 118 7.012 -1.853 -7.227 1.00 0.69 H new ATOM 0 HA TYR A 118 6.077 -1.547 -9.982 1.00 0.68 H new ATOM 0 HB2 TYR A 118 4.814 -1.286 -7.253 1.00 0.64 H new ATOM 0 HB3 TYR A 118 4.043 -0.566 -8.653 1.00 0.64 H new ATOM 0 HD1 TYR A 118 4.986 -3.739 -7.043 1.00 1.04 H new ATOM 0 HD2 TYR A 118 3.115 -1.975 -10.437 1.00 1.48 H new ATOM 0 HE1 TYR A 118 4.025 -5.918 -7.643 1.00 1.43 H new ATOM 0 HE2 TYR A 118 2.140 -4.149 -11.032 1.00 1.86 H new ATOM 0 HH TYR A 118 1.957 -6.289 -10.529 1.00 2.21 H new ATOM 1926 N LEU A 119 6.290 1.082 -7.994 1.00 0.66 N ATOM 1927 CA LEU A 119 6.549 2.513 -8.002 1.00 0.69 C ATOM 1928 C LEU A 119 7.577 2.823 -6.927 1.00 0.72 C ATOM 1929 O LEU A 119 7.238 3.067 -5.768 1.00 0.79 O ATOM 1930 CB LEU A 119 5.248 3.307 -7.788 1.00 0.71 C ATOM 1931 CG LEU A 119 5.280 4.798 -8.177 1.00 1.34 C ATOM 1932 CD1 LEU A 119 6.078 5.624 -7.177 1.00 2.00 C ATOM 1933 CD2 LEU A 119 5.853 4.968 -9.574 1.00 2.09 C ATOM 0 H LEU A 119 6.035 0.702 -7.082 1.00 0.66 H new ATOM 0 HA LEU A 119 6.944 2.814 -8.972 1.00 0.69 H new ATOM 0 HB2 LEU A 119 4.455 2.823 -8.358 1.00 0.71 H new ATOM 0 HB3 LEU A 119 4.974 3.235 -6.736 1.00 0.71 H new ATOM 0 HG LEU A 119 4.253 5.163 -8.165 1.00 1.34 H new ATOM 0 HD11 LEU A 119 6.077 6.669 -7.486 1.00 2.00 H new ATOM 0 HD12 LEU A 119 5.625 5.537 -6.189 1.00 2.00 H new ATOM 0 HD13 LEU A 119 7.104 5.258 -7.139 1.00 2.00 H new ATOM 0 HD21 LEU A 119 5.869 6.026 -9.834 1.00 2.09 H new ATOM 0 HD22 LEU A 119 6.868 4.572 -9.602 1.00 2.09 H new ATOM 0 HD23 LEU A 119 5.233 4.428 -10.290 1.00 2.09 H new ATOM 1945 N PRO A 120 8.855 2.773 -7.306 1.00 0.72 N ATOM 1946 CA PRO A 120 9.959 2.881 -6.371 1.00 0.75 C ATOM 1947 C PRO A 120 10.404 4.310 -6.103 1.00 0.77 C ATOM 1948 O PRO A 120 10.219 5.210 -6.928 1.00 0.92 O ATOM 1949 CB PRO A 120 11.062 2.124 -7.100 1.00 0.79 C ATOM 1950 CG PRO A 120 10.818 2.408 -8.543 1.00 0.78 C ATOM 1951 CD PRO A 120 9.328 2.592 -8.691 1.00 0.75 C ATOM 0 HA PRO A 120 9.693 2.498 -5.386 1.00 0.75 H new ATOM 0 HB2 PRO A 120 12.050 2.465 -6.790 1.00 0.79 H new ATOM 0 HB3 PRO A 120 11.014 1.055 -6.892 1.00 0.79 H new ATOM 0 HG2 PRO A 120 11.354 3.303 -8.859 1.00 0.78 H new ATOM 0 HG3 PRO A 120 11.172 1.587 -9.166 1.00 0.78 H new ATOM 0 HD2 PRO A 120 9.092 3.457 -9.310 1.00 0.75 H new ATOM 0 HD3 PRO A 120 8.863 1.726 -9.162 1.00 0.75 H new ATOM 1959 N LEU A 121 11.002 4.505 -4.942 1.00 0.70 N ATOM 1960 CA LEU A 121 11.716 5.723 -4.659 1.00 0.69 C ATOM 1961 C LEU A 121 13.133 5.516 -5.127 1.00 0.82 C ATOM 1962 O LEU A 121 13.574 6.089 -6.120 1.00 1.00 O ATOM 1963 CB LEU A 121 11.696 6.028 -3.159 1.00 0.55 C ATOM 1964 CG LEU A 121 12.785 6.988 -2.675 1.00 0.58 C ATOM 1965 CD1 LEU A 121 12.676 8.327 -3.381 1.00 1.23 C ATOM 1966 CD2 LEU A 121 12.708 7.161 -1.167 1.00 1.25 C ATOM 0 H LEU A 121 11.003 3.827 -4.180 1.00 0.70 H new ATOM 0 HA LEU A 121 11.251 6.567 -5.168 1.00 0.69 H new ATOM 0 HB2 LEU A 121 10.723 6.448 -2.903 1.00 0.55 H new ATOM 0 HB3 LEU A 121 11.792 5.090 -2.612 1.00 0.55 H new ATOM 0 HG LEU A 121 13.756 6.559 -2.920 1.00 0.58 H new ATOM 0 HD11 LEU A 121 13.460 8.993 -3.021 1.00 1.23 H new ATOM 0 HD12 LEU A 121 12.788 8.182 -4.455 1.00 1.23 H new ATOM 0 HD13 LEU A 121 11.701 8.769 -3.174 1.00 1.23 H new ATOM 0 HD21 LEU A 121 13.489 7.847 -0.839 1.00 1.25 H new ATOM 0 HD22 LEU A 121 11.733 7.566 -0.897 1.00 1.25 H new ATOM 0 HD23 LEU A 121 12.847 6.195 -0.682 1.00 1.25 H new ATOM 1978 N LYS A 122 13.805 4.624 -4.425 1.00 0.82 N ATOM 1979 CA LYS A 122 15.185 4.273 -4.707 1.00 1.05 C ATOM 1980 C LYS A 122 15.392 2.820 -4.319 1.00 1.07 C ATOM 1981 O LYS A 122 15.594 1.962 -5.175 1.00 1.32 O ATOM 1982 CB LYS A 122 16.168 5.168 -3.920 1.00 1.11 C ATOM 1983 CG LYS A 122 16.028 6.664 -4.189 1.00 1.18 C ATOM 1984 CD LYS A 122 16.311 7.010 -5.644 1.00 1.87 C ATOM 1985 CE LYS A 122 15.869 8.428 -5.970 1.00 2.07 C ATOM 1986 NZ LYS A 122 15.868 8.691 -7.434 1.00 2.78 N ATOM 0 H LYS A 122 13.405 4.117 -3.635 1.00 0.82 H new ATOM 0 HA LYS A 122 15.382 4.423 -5.768 1.00 1.05 H new ATOM 0 HB2 LYS A 122 16.026 4.990 -2.854 1.00 1.11 H new ATOM 0 HB3 LYS A 122 17.187 4.864 -4.161 1.00 1.11 H new ATOM 0 HG2 LYS A 122 15.020 6.986 -3.929 1.00 1.18 H new ATOM 0 HG3 LYS A 122 16.714 7.214 -3.545 1.00 1.18 H new ATOM 0 HD2 LYS A 122 17.377 6.904 -5.845 1.00 1.87 H new ATOM 0 HD3 LYS A 122 15.792 6.306 -6.295 1.00 1.87 H new ATOM 0 HE2 LYS A 122 14.869 8.596 -5.571 1.00 2.07 H new ATOM 0 HE3 LYS A 122 16.533 9.137 -5.475 1.00 2.07 H new ATOM 0 HZ1 LYS A 122 15.561 9.669 -7.611 1.00 2.78 H new ATOM 0 HZ2 LYS A 122 16.828 8.556 -7.812 1.00 2.78 H new ATOM 0 HZ3 LYS A 122 15.215 8.032 -7.905 1.00 2.78 H new ATOM 2000 N SER A 123 15.270 2.564 -3.014 1.00 0.92 N ATOM 2001 CA SER A 123 15.482 1.240 -2.421 1.00 1.00 C ATOM 2002 C SER A 123 16.955 0.819 -2.545 1.00 1.56 C ATOM 2003 O SER A 123 17.638 0.646 -1.534 1.00 2.17 O ATOM 2004 CB SER A 123 14.546 0.194 -3.049 1.00 0.86 C ATOM 2005 OG SER A 123 14.510 -0.995 -2.277 1.00 1.48 O ATOM 0 H SER A 123 15.018 3.278 -2.331 1.00 0.92 H new ATOM 0 HA SER A 123 15.239 1.301 -1.360 1.00 1.00 H new ATOM 0 HB2 SER A 123 13.540 0.606 -3.133 1.00 0.86 H new ATOM 0 HB3 SER A 123 14.881 -0.036 -4.060 1.00 0.86 H new ATOM 0 HG SER A 123 13.592 -1.336 -2.244 1.00 1.48 H new ATOM 2011 N ASN A 124 17.427 0.688 -3.786 1.00 2.15 N ATOM 2012 CA ASN A 124 18.821 0.354 -4.088 1.00 2.87 C ATOM 2013 C ASN A 124 19.289 -0.891 -3.347 1.00 3.13 C ATOM 2014 O ASN A 124 19.901 -0.802 -2.282 1.00 3.71 O ATOM 2015 CB ASN A 124 19.753 1.535 -3.780 1.00 3.66 C ATOM 2016 CG ASN A 124 19.639 2.664 -4.789 1.00 4.66 C ATOM 2017 OD1 ASN A 124 18.577 2.908 -5.361 1.00 5.26 O ATOM 2018 ND2 ASN A 124 20.742 3.354 -5.027 1.00 5.20 N ATOM 0 H ASN A 124 16.848 0.812 -4.617 1.00 2.15 H new ATOM 0 HA ASN A 124 18.866 0.140 -5.156 1.00 2.87 H new ATOM 0 HB2 ASN A 124 19.525 1.920 -2.786 1.00 3.66 H new ATOM 0 HB3 ASN A 124 20.783 1.180 -3.756 1.00 3.66 H new ATOM 0 HD21 ASN A 124 20.730 4.117 -5.704 1.00 5.20 H new ATOM 0 HD22 ASN A 124 21.604 3.123 -4.534 1.00 5.20 H new ATOM 2025 N LEU A 125 18.995 -2.050 -3.912 1.00 3.30 N ATOM 2026 CA LEU A 125 19.395 -3.310 -3.310 1.00 4.11 C ATOM 2027 C LEU A 125 20.581 -3.891 -4.065 1.00 4.82 C ATOM 2028 O LEU A 125 21.633 -4.163 -3.485 1.00 5.53 O ATOM 2029 CB LEU A 125 18.225 -4.299 -3.312 1.00 4.53 C ATOM 2030 CG LEU A 125 16.971 -3.820 -2.577 1.00 5.13 C ATOM 2031 CD1 LEU A 125 15.879 -4.875 -2.645 1.00 5.75 C ATOM 2032 CD2 LEU A 125 17.297 -3.482 -1.132 1.00 5.59 C ATOM 0 H LEU A 125 18.480 -2.144 -4.788 1.00 3.30 H new ATOM 0 HA LEU A 125 19.689 -3.129 -2.276 1.00 4.11 H new ATOM 0 HB2 LEU A 125 17.959 -4.522 -4.345 1.00 4.53 H new ATOM 0 HB3 LEU A 125 18.558 -5.233 -2.860 1.00 4.53 H new ATOM 0 HG LEU A 125 16.608 -2.917 -3.067 1.00 5.13 H new ATOM 0 HD11 LEU A 125 14.995 -4.518 -2.117 1.00 5.75 H new ATOM 0 HD12 LEU A 125 15.626 -5.070 -3.687 1.00 5.75 H new ATOM 0 HD13 LEU A 125 16.232 -5.795 -2.179 1.00 5.75 H new ATOM 0 HD21 LEU A 125 16.394 -3.143 -0.625 1.00 5.59 H new ATOM 0 HD22 LEU A 125 17.685 -4.368 -0.630 1.00 5.59 H new ATOM 0 HD23 LEU A 125 18.047 -2.692 -1.104 1.00 5.59 H new ATOM 2044 N GLU A 126 20.412 -4.054 -5.368 1.00 5.03 N ATOM 2045 CA GLU A 126 21.465 -4.587 -6.216 1.00 6.01 C ATOM 2046 C GLU A 126 21.536 -3.817 -7.525 1.00 6.63 C ATOM 2047 O GLU A 126 20.549 -3.213 -7.956 1.00 6.74 O ATOM 2048 CB GLU A 126 21.243 -6.089 -6.474 1.00 6.68 C ATOM 2049 CG GLU A 126 19.895 -6.443 -7.102 1.00 7.19 C ATOM 2050 CD GLU A 126 19.934 -6.543 -8.621 1.00 8.09 C ATOM 2051 OE1 GLU A 126 20.653 -7.415 -9.153 1.00 8.65 O ATOM 2052 OE2 GLU A 126 19.264 -5.729 -9.293 1.00 8.43 O ATOM 0 H GLU A 126 19.550 -3.823 -5.863 1.00 5.03 H new ATOM 0 HA GLU A 126 22.418 -4.469 -5.700 1.00 6.01 H new ATOM 0 HB2 GLU A 126 22.037 -6.452 -7.126 1.00 6.68 H new ATOM 0 HB3 GLU A 126 21.338 -6.623 -5.528 1.00 6.68 H new ATOM 0 HG2 GLU A 126 19.552 -7.393 -6.693 1.00 7.19 H new ATOM 0 HG3 GLU A 126 19.162 -5.689 -6.815 1.00 7.19 H new ATOM 2059 N HIS A 127 22.710 -3.805 -8.133 1.00 7.33 N ATOM 2060 CA HIS A 127 22.857 -3.231 -9.459 1.00 8.24 C ATOM 2061 C HIS A 127 22.596 -4.312 -10.482 1.00 8.84 C ATOM 2062 O HIS A 127 22.756 -5.500 -10.189 1.00 8.87 O ATOM 2063 CB HIS A 127 24.239 -2.618 -9.676 1.00 8.80 C ATOM 2064 CG HIS A 127 24.503 -1.409 -8.831 1.00 9.00 C ATOM 2065 ND1 HIS A 127 24.222 -0.124 -9.246 1.00 9.40 N ATOM 2066 CD2 HIS A 127 25.019 -1.291 -7.584 1.00 9.14 C ATOM 2067 CE1 HIS A 127 24.550 0.727 -8.294 1.00 9.73 C ATOM 2068 NE2 HIS A 127 25.035 0.047 -7.274 1.00 9.58 N ATOM 0 H HIS A 127 23.569 -4.183 -7.733 1.00 7.33 H new ATOM 0 HA HIS A 127 22.136 -2.421 -9.566 1.00 8.24 H new ATOM 0 HB2 HIS A 127 24.998 -3.371 -9.464 1.00 8.80 H new ATOM 0 HB3 HIS A 127 24.345 -2.346 -10.726 1.00 8.80 H new ATOM 0 HD2 HIS A 127 25.355 -2.099 -6.951 1.00 9.14 H new ATOM 0 HE1 HIS A 127 24.440 1.800 -8.342 1.00 9.73 H new ATOM 0 HE2 HIS A 127 25.368 0.449 -6.398 1.00 9.58 H new ATOM 2077 N HIS A 128 22.232 -3.923 -11.683 1.00 9.55 N ATOM 2078 CA HIS A 128 21.663 -4.883 -12.606 1.00 10.37 C ATOM 2079 C HIS A 128 22.323 -4.848 -13.977 1.00 10.87 C ATOM 2080 O HIS A 128 21.718 -4.437 -14.964 1.00 11.49 O ATOM 2081 CB HIS A 128 20.155 -4.671 -12.732 1.00 11.23 C ATOM 2082 CG HIS A 128 19.401 -5.950 -12.907 1.00 11.65 C ATOM 2083 ND1 HIS A 128 18.946 -6.696 -11.841 1.00 12.20 N ATOM 2084 CD2 HIS A 128 19.041 -6.629 -14.021 1.00 11.83 C ATOM 2085 CE1 HIS A 128 18.342 -7.778 -12.290 1.00 12.67 C ATOM 2086 NE2 HIS A 128 18.387 -7.763 -13.611 1.00 12.47 N ATOM 0 H HIS A 128 22.316 -2.971 -12.040 1.00 9.55 H new ATOM 0 HA HIS A 128 21.855 -5.872 -12.191 1.00 10.37 H new ATOM 0 HB2 HIS A 128 19.790 -4.158 -11.842 1.00 11.23 H new ATOM 0 HB3 HIS A 128 19.955 -4.018 -13.581 1.00 11.23 H new ATOM 0 HD1 HIS A 128 19.059 -6.449 -10.858 1.00 12.20 H new ATOM 0 HD2 HIS A 128 19.233 -6.333 -15.042 1.00 11.83 H new ATOM 0 HE1 HIS A 128 17.888 -8.546 -11.682 1.00 12.67 H new ATOM 2095 N HIS A 129 23.580 -5.254 -14.018 1.00 10.78 N ATOM 2096 CA HIS A 129 24.235 -5.588 -15.273 1.00 11.47 C ATOM 2097 C HIS A 129 24.422 -7.094 -15.313 1.00 12.43 C ATOM 2098 O HIS A 129 23.916 -7.772 -16.206 1.00 12.92 O ATOM 2099 CB HIS A 129 25.593 -4.888 -15.413 1.00 11.24 C ATOM 2100 CG HIS A 129 25.509 -3.419 -15.702 1.00 11.36 C ATOM 2101 ND1 HIS A 129 26.622 -2.609 -15.798 1.00 11.57 N ATOM 2102 CD2 HIS A 129 24.442 -2.611 -15.919 1.00 11.54 C ATOM 2103 CE1 HIS A 129 26.246 -1.373 -16.061 1.00 11.86 C ATOM 2104 NE2 HIS A 129 24.929 -1.347 -16.141 1.00 11.85 N ATOM 0 H HIS A 129 24.171 -5.361 -13.193 1.00 10.78 H new ATOM 0 HA HIS A 129 23.614 -5.248 -16.102 1.00 11.47 H new ATOM 0 HB2 HIS A 129 26.158 -5.032 -14.492 1.00 11.24 H new ATOM 0 HB3 HIS A 129 26.156 -5.371 -16.212 1.00 11.24 H new ATOM 0 HD2 HIS A 129 23.403 -2.907 -15.917 1.00 11.54 H new ATOM 0 HE1 HIS A 129 26.904 -0.526 -16.189 1.00 11.86 H new ATOM 0 HE2 HIS A 129 24.364 -0.521 -16.336 1.00 11.85 H new ATOM 2113 N HIS A 130 25.128 -7.603 -14.302 1.00 12.86 N ATOM 2114 CA HIS A 130 25.332 -9.039 -14.117 1.00 13.91 C ATOM 2115 C HIS A 130 26.017 -9.664 -15.327 1.00 14.53 C ATOM 2116 O HIS A 130 26.657 -8.974 -16.124 1.00 14.74 O ATOM 2117 CB HIS A 130 23.996 -9.743 -13.834 1.00 14.42 C ATOM 2118 CG HIS A 130 23.402 -9.405 -12.499 1.00 15.19 C ATOM 2119 ND1 HIS A 130 23.438 -10.263 -11.419 1.00 15.61 N ATOM 2120 CD2 HIS A 130 22.750 -8.297 -12.071 1.00 15.79 C ATOM 2121 CE1 HIS A 130 22.838 -9.697 -10.389 1.00 16.39 C ATOM 2122 NE2 HIS A 130 22.413 -8.506 -10.757 1.00 16.51 N ATOM 0 H HIS A 130 25.575 -7.029 -13.587 1.00 12.86 H new ATOM 0 HA HIS A 130 25.987 -9.172 -13.256 1.00 13.91 H new ATOM 0 HB2 HIS A 130 23.284 -9.477 -14.615 1.00 14.42 H new ATOM 0 HB3 HIS A 130 24.145 -10.821 -13.892 1.00 14.42 H new ATOM 0 HD2 HIS A 130 22.536 -7.414 -12.655 1.00 15.79 H new ATOM 0 HE1 HIS A 130 22.716 -10.136 -9.410 1.00 16.39 H new ATOM 0 HE2 HIS A 130 21.914 -7.845 -10.161 1.00 16.51 H new ATOM 2131 N HIS A 131 25.904 -10.977 -15.448 1.00 14.97 N ATOM 2132 CA HIS A 131 26.484 -11.681 -16.574 1.00 15.74 C ATOM 2133 C HIS A 131 25.394 -12.362 -17.385 1.00 16.72 C ATOM 2134 O HIS A 131 24.701 -13.249 -16.888 1.00 17.05 O ATOM 2135 CB HIS A 131 27.518 -12.708 -16.102 1.00 15.86 C ATOM 2136 CG HIS A 131 28.272 -13.354 -17.224 1.00 16.30 C ATOM 2137 ND1 HIS A 131 29.295 -12.723 -17.901 1.00 16.54 N ATOM 2138 CD2 HIS A 131 28.148 -14.578 -17.792 1.00 16.69 C ATOM 2139 CE1 HIS A 131 29.764 -13.527 -18.835 1.00 17.06 C ATOM 2140 NE2 HIS A 131 29.088 -14.656 -18.790 1.00 17.15 N ATOM 0 H HIS A 131 25.416 -11.574 -14.780 1.00 14.97 H new ATOM 0 HA HIS A 131 26.992 -10.954 -17.208 1.00 15.74 H new ATOM 0 HB2 HIS A 131 28.226 -12.218 -15.433 1.00 15.86 H new ATOM 0 HB3 HIS A 131 27.013 -13.480 -15.522 1.00 15.86 H new ATOM 0 HD2 HIS A 131 27.443 -15.347 -17.513 1.00 16.69 H new ATOM 0 HE1 HIS A 131 30.567 -13.298 -19.521 1.00 17.06 H new ATOM 0 HE2 HIS A 131 29.239 -15.460 -19.399 1.00 17.15 H new ATOM 2149 N HIS A 132 25.232 -11.922 -18.619 1.00 17.28 N ATOM 2150 CA HIS A 132 24.279 -12.530 -19.532 1.00 18.32 C ATOM 2151 C HIS A 132 24.792 -12.394 -20.959 1.00 19.08 C ATOM 2152 O HIS A 132 24.093 -11.815 -21.813 1.00 19.24 O ATOM 2153 CB HIS A 132 22.876 -11.909 -19.375 1.00 18.50 C ATOM 2154 CG HIS A 132 22.826 -10.415 -19.535 1.00 18.62 C ATOM 2155 ND1 HIS A 132 22.366 -9.797 -20.675 1.00 18.99 N ATOM 2156 CD2 HIS A 132 23.154 -9.419 -18.679 1.00 18.56 C ATOM 2157 CE1 HIS A 132 22.421 -8.487 -20.519 1.00 19.14 C ATOM 2158 NE2 HIS A 132 22.896 -8.231 -19.315 1.00 18.89 N ATOM 2159 OXT HIS A 132 25.929 -12.836 -21.210 1.00 19.60 O ATOM 0 H HIS A 132 25.752 -11.139 -19.015 1.00 17.28 H new ATOM 0 HA HIS A 132 24.182 -13.589 -19.291 1.00 18.32 H new ATOM 0 HB2 HIS A 132 22.210 -12.361 -20.109 1.00 18.50 H new ATOM 0 HB3 HIS A 132 22.488 -12.168 -18.390 1.00 18.50 H new ATOM 0 HD2 HIS A 132 23.546 -9.538 -17.680 1.00 18.56 H new ATOM 0 HE1 HIS A 132 22.127 -7.750 -21.252 1.00 19.14 H new ATOM 0 HE2 HIS A 132 23.047 -7.302 -18.922 1.00 18.89 H new TER 2168 HIS A 132