USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1248 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 151 LYS NZ :NH3+ 162:sc= -0.351 (180deg=-0.636) USER MOD Set 1.2: A 155 GLN : amide:sc= -0.172 K(o=-0.52,f=0.62) USER MOD Set 2.1: A 125 GLN : amide:sc= 0.0476 X(o=0.096,f=-0.066) USER MOD Set 2.2: A 129 LYS NZ :NH3+ 168:sc= 0.0482 (180deg=0) USER MOD Set 3.1: A 103 GLN : amide:sc= -1.94 K(o=-3.3,f=-5.2!) USER MOD Set 3.2: A 117 GLN : amide:sc= -1.14 K(o=-3.3,f=-8.5!) USER MOD Set 3.3: A 118 MET CE :methyl 153:sc= -0.217 (180deg=0) USER MOD Set 4.1: A 101 TYR OH : rot 141:sc= -1.29 USER MOD Set 4.2: A 160 GLN : amide:sc= 0 X(o=-1.3,f=-1.5) USER MOD Set 5.1: A 62 ASN : amide:sc= -4.53! K(o=-20!,f=-21) USER MOD Set 5.2: A 162 MET CE :methyl -120:sc= -16.4! (180deg=-29.2!) USER MOD Set 5.3: A 163 THR OG1 : rot -20:sc= 1.17 USER MOD Set 6.1: A 44 THR OG1 : rot -59:sc= -0.61 USER MOD Set 6.2: A 164 THR OG1 : rot 170:sc= -0.145 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00659 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -5.09! C(o=-5.1!,f=-6.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -77:sc= 0.946 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 65:sc= -2.94 USER MOD Single : A 46 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 24:sc= 0.0579 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 156:sc= -0.299 (180deg=-2.44) USER MOD Single : A 64 ASN : amide:sc= -0.728 K(o=-0.73,f=-0.13) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 162:sc= -0.185 (180deg=-0.722) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 104 ASN : amide:sc= -0.0233 K(o=-0.023,f=-0.79) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 170:sc= -0.496 USER MOD Single : A 112 GLN : amide:sc= -0.298 K(o=-0.3,f=-3.1!) USER MOD Single : A 119 SER OG : rot 80:sc= -2.39 USER MOD Single : A 120 THR OG1 : rot -8:sc= -4.03! USER MOD Single : A 121 LYS NZ :NH3+ -140:sc= -0.922 (180deg=-3.16!) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 130 LYS NZ :NH3+ -122:sc= -0.633 (180deg=-2.05) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0489 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -2.77! K(o=-2.8!,f=-1.7) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.4!) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 165 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.2) USER MOD Single : A 170 SER OG : rot 120:sc= -0.108 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= -0.641 X(o=-0.64,f=-0.15) USER MOD Single : A 177 SER OG : rot 180:sc= 0.00185 USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 185 MET CE :methyl -146:sc= -0.0767 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 19.945 11.701 1.082 1.00 0.10 N ATOM 21 CA THR A 21 20.437 10.454 0.430 1.00 0.43 C ATOM 22 C THR A 21 19.269 9.726 -0.241 1.00 0.58 C ATOM 23 O THR A 21 18.120 10.090 -0.079 1.00 0.48 O ATOM 24 CB THR A 21 21.074 9.544 1.483 1.00 0.74 C ATOM 25 OG1 THR A 21 21.465 8.320 0.876 1.00 0.92 O ATOM 26 CG2 THR A 21 20.064 9.265 2.596 1.00 0.86 C ATOM 0 HA THR A 21 21.180 10.710 -0.325 1.00 0.43 H new ATOM 0 HB THR A 21 21.950 10.035 1.906 1.00 0.74 H new ATOM 0 HG1 THR A 21 21.875 7.737 1.549 1.00 0.92 H new ATOM 0 HG21 THR A 21 20.518 8.617 3.345 1.00 0.86 H new ATOM 0 HG22 THR A 21 19.766 10.205 3.061 1.00 0.86 H new ATOM 0 HG23 THR A 21 19.186 8.774 2.176 1.00 0.86 H new ATOM 34 N SER A 22 19.555 8.702 -1.000 1.00 0.87 N ATOM 35 CA SER A 22 18.467 7.950 -1.692 1.00 1.06 C ATOM 36 C SER A 22 17.373 7.565 -0.692 1.00 0.87 C ATOM 37 O SER A 22 16.200 7.775 -0.932 1.00 0.74 O ATOM 38 CB SER A 22 19.048 6.681 -2.320 1.00 1.48 C ATOM 39 OG SER A 22 20.246 7.006 -3.012 1.00 2.02 O ATOM 0 H SER A 22 20.498 8.353 -1.171 1.00 0.87 H new ATOM 0 HA SER A 22 18.035 8.583 -2.467 1.00 1.06 H new ATOM 0 HB2 SER A 22 19.250 5.939 -1.548 1.00 1.48 H new ATOM 0 HB3 SER A 22 18.327 6.238 -3.007 1.00 1.48 H new ATOM 0 HG SER A 22 20.622 6.195 -3.414 1.00 2.02 H new ATOM 45 N SER A 23 17.743 7.000 0.423 1.00 0.89 N ATOM 46 CA SER A 23 16.720 6.596 1.431 1.00 0.81 C ATOM 47 C SER A 23 15.886 7.815 1.835 1.00 0.46 C ATOM 48 O SER A 23 14.680 7.740 1.950 1.00 0.35 O ATOM 49 CB SER A 23 17.420 6.025 2.666 1.00 1.03 C ATOM 50 OG SER A 23 17.706 4.650 2.447 1.00 0.86 O ATOM 0 H SER A 23 18.709 6.800 0.681 1.00 0.89 H new ATOM 0 HA SER A 23 16.066 5.838 0.999 1.00 0.81 H new ATOM 0 HB2 SER A 23 18.341 6.574 2.863 1.00 1.03 H new ATOM 0 HB3 SER A 23 16.786 6.141 3.545 1.00 1.03 H new ATOM 0 HG SER A 23 18.156 4.280 3.235 1.00 0.86 H new ATOM 56 N GLU A 24 16.517 8.939 2.046 1.00 0.31 N ATOM 57 CA GLU A 24 15.753 10.160 2.435 1.00 0.18 C ATOM 58 C GLU A 24 14.667 10.424 1.392 1.00 0.23 C ATOM 59 O GLU A 24 13.585 10.879 1.708 1.00 0.36 O ATOM 60 CB GLU A 24 16.702 11.359 2.499 1.00 0.35 C ATOM 61 CG GLU A 24 16.051 12.483 3.306 1.00 1.46 C ATOM 62 CD GLU A 24 16.568 12.443 4.746 1.00 0.67 C ATOM 63 OE1 GLU A 24 16.108 11.597 5.495 1.00 1.35 O ATOM 64 OE2 GLU A 24 17.412 13.259 5.074 1.00 1.46 O ATOM 0 H GLU A 24 17.526 9.065 1.966 1.00 0.31 H new ATOM 0 HA GLU A 24 15.295 10.011 3.413 1.00 0.18 H new ATOM 0 HB2 GLU A 24 17.645 11.065 2.960 1.00 0.35 H new ATOM 0 HB3 GLU A 24 16.934 11.707 1.492 1.00 0.35 H new ATOM 0 HG2 GLU A 24 16.278 13.448 2.854 1.00 1.46 H new ATOM 0 HG3 GLU A 24 14.967 12.372 3.294 1.00 1.46 H new ATOM 71 N ARG A 25 14.946 10.135 0.152 1.00 0.42 N ATOM 72 CA ARG A 25 13.928 10.361 -0.911 1.00 0.69 C ATOM 73 C ARG A 25 12.816 9.319 -0.769 1.00 0.63 C ATOM 74 O ARG A 25 11.662 9.586 -1.037 1.00 0.68 O ATOM 75 CB ARG A 25 14.583 10.221 -2.287 1.00 1.01 C ATOM 76 CG ARG A 25 15.281 11.529 -2.659 1.00 1.04 C ATOM 77 CD ARG A 25 15.911 11.393 -4.046 1.00 1.83 C ATOM 78 NE ARG A 25 17.362 11.083 -3.905 1.00 2.96 N ATOM 79 CZ ARG A 25 18.253 12.001 -4.158 1.00 3.34 C ATOM 80 NH1 ARG A 25 18.165 12.714 -5.247 1.00 3.21 N ATOM 81 NH2 ARG A 25 19.235 12.203 -3.323 1.00 4.24 N ATOM 0 H ARG A 25 15.834 9.752 -0.171 1.00 0.42 H new ATOM 0 HA ARG A 25 13.510 11.363 -0.811 1.00 0.69 H new ATOM 0 HB2 ARG A 25 15.303 9.403 -2.276 1.00 1.01 H new ATOM 0 HB3 ARG A 25 13.830 9.973 -3.036 1.00 1.01 H new ATOM 0 HG2 ARG A 25 14.565 12.351 -2.652 1.00 1.04 H new ATOM 0 HG3 ARG A 25 16.047 11.768 -1.921 1.00 1.04 H new ATOM 0 HD2 ARG A 25 15.412 10.603 -4.608 1.00 1.83 H new ATOM 0 HD3 ARG A 25 15.779 12.317 -4.609 1.00 1.83 H new ATOM 0 HE ARG A 25 17.658 10.152 -3.611 1.00 2.96 H new ATOM 0 HH11 ARG A 25 17.399 12.554 -5.901 1.00 3.21 H new ATOM 0 HH12 ARG A 25 18.862 13.432 -5.444 1.00 3.21 H new ATOM 0 HH21 ARG A 25 19.305 11.643 -2.473 1.00 4.24 H new ATOM 0 HH22 ARG A 25 19.932 12.921 -3.520 1.00 4.24 H new ATOM 95 N ILE A 26 13.158 8.132 -0.351 1.00 0.60 N ATOM 96 CA ILE A 26 12.129 7.064 -0.191 1.00 0.68 C ATOM 97 C ILE A 26 11.106 7.486 0.871 1.00 0.41 C ATOM 98 O ILE A 26 9.923 7.574 0.611 1.00 0.14 O ATOM 99 CB ILE A 26 12.817 5.766 0.248 1.00 0.91 C ATOM 100 CG1 ILE A 26 13.788 5.299 -0.846 1.00 1.26 C ATOM 101 CG2 ILE A 26 11.766 4.680 0.502 1.00 0.77 C ATOM 102 CD1 ILE A 26 13.011 4.912 -2.110 1.00 0.40 C ATOM 0 H ILE A 26 14.110 7.854 -0.112 1.00 0.60 H new ATOM 0 HA ILE A 26 11.616 6.907 -1.140 1.00 0.68 H new ATOM 0 HB ILE A 26 13.372 5.950 1.168 1.00 0.91 H new ATOM 0 HG12 ILE A 26 14.499 6.093 -1.075 1.00 1.26 H new ATOM 0 HG13 ILE A 26 14.366 4.446 -0.490 1.00 1.26 H new ATOM 0 HG21 ILE A 26 12.261 3.760 0.814 1.00 0.77 H new ATOM 0 HG22 ILE A 26 11.085 5.009 1.287 1.00 0.77 H new ATOM 0 HG23 ILE A 26 11.203 4.497 -0.413 1.00 0.77 H new ATOM 0 HD11 ILE A 26 13.709 4.582 -2.880 1.00 0.40 H new ATOM 0 HD12 ILE A 26 12.318 4.103 -1.878 1.00 0.40 H new ATOM 0 HD13 ILE A 26 12.453 5.775 -2.472 1.00 0.40 H new ATOM 114 N ASP A 27 11.559 7.734 2.069 1.00 0.52 N ATOM 115 CA ASP A 27 10.628 8.134 3.164 1.00 0.35 C ATOM 116 C ASP A 27 9.784 9.340 2.737 1.00 0.20 C ATOM 117 O ASP A 27 8.625 9.451 3.091 1.00 0.11 O ATOM 118 CB ASP A 27 11.447 8.505 4.405 1.00 0.38 C ATOM 119 CG ASP A 27 10.514 8.969 5.527 1.00 0.54 C ATOM 120 OD1 ASP A 27 10.098 10.115 5.489 1.00 0.85 O ATOM 121 OD2 ASP A 27 10.232 8.169 6.405 1.00 1.21 O ATOM 0 H ASP A 27 12.541 7.677 2.339 1.00 0.52 H new ATOM 0 HA ASP A 27 9.962 7.300 3.386 1.00 0.35 H new ATOM 0 HB2 ASP A 27 12.030 7.646 4.737 1.00 0.38 H new ATOM 0 HB3 ASP A 27 12.156 9.296 4.160 1.00 0.38 H new ATOM 126 N LYS A 28 10.353 10.252 2.004 1.00 0.44 N ATOM 127 CA LYS A 28 9.581 11.456 1.588 1.00 0.54 C ATOM 128 C LYS A 28 8.479 11.076 0.601 1.00 0.48 C ATOM 129 O LYS A 28 7.400 11.634 0.624 1.00 0.43 O ATOM 130 CB LYS A 28 10.526 12.463 0.929 1.00 0.82 C ATOM 131 CG LYS A 28 11.217 13.301 2.007 1.00 1.23 C ATOM 132 CD LYS A 28 10.160 14.028 2.837 1.00 1.76 C ATOM 133 CE LYS A 28 10.791 15.237 3.530 1.00 2.71 C ATOM 134 NZ LYS A 28 9.721 16.181 3.956 1.00 3.27 N ATOM 0 H LYS A 28 11.318 10.218 1.674 1.00 0.44 H new ATOM 0 HA LYS A 28 9.122 11.898 2.472 1.00 0.54 H new ATOM 0 HB2 LYS A 28 11.270 11.940 0.329 1.00 0.82 H new ATOM 0 HB3 LYS A 28 9.969 13.111 0.252 1.00 0.82 H new ATOM 0 HG2 LYS A 28 11.823 12.661 2.649 1.00 1.23 H new ATOM 0 HG3 LYS A 28 11.893 14.021 1.546 1.00 1.23 H new ATOM 0 HD2 LYS A 28 9.339 14.351 2.196 1.00 1.76 H new ATOM 0 HD3 LYS A 28 9.737 13.351 3.579 1.00 1.76 H new ATOM 0 HE2 LYS A 28 11.370 14.913 4.395 1.00 2.71 H new ATOM 0 HE3 LYS A 28 11.483 15.737 2.853 1.00 2.71 H new ATOM 0 HZ1 LYS A 28 10.150 17.003 4.427 1.00 3.27 H new ATOM 0 HZ2 LYS A 28 9.187 16.500 3.122 1.00 3.27 H new ATOM 0 HZ3 LYS A 28 9.077 15.701 4.617 1.00 3.27 H new ATOM 148 N GLN A 29 8.735 10.148 -0.272 1.00 0.52 N ATOM 149 CA GLN A 29 7.691 9.763 -1.257 1.00 0.51 C ATOM 150 C GLN A 29 6.572 8.983 -0.556 1.00 0.42 C ATOM 151 O GLN A 29 5.441 8.971 -1.005 1.00 0.58 O ATOM 152 CB GLN A 29 8.318 8.907 -2.357 1.00 0.60 C ATOM 153 CG GLN A 29 9.486 9.670 -2.986 1.00 0.74 C ATOM 154 CD GLN A 29 8.962 10.585 -4.095 1.00 0.32 C ATOM 155 OE1 GLN A 29 7.963 11.255 -3.923 1.00 0.84 O ATOM 156 NE2 GLN A 29 9.599 10.646 -5.232 1.00 1.30 N ATOM 0 H GLN A 29 9.617 9.641 -0.347 1.00 0.52 H new ATOM 0 HA GLN A 29 7.265 10.663 -1.702 1.00 0.51 H new ATOM 0 HB2 GLN A 29 8.667 7.961 -1.943 1.00 0.60 H new ATOM 0 HB3 GLN A 29 7.574 8.668 -3.116 1.00 0.60 H new ATOM 0 HG2 GLN A 29 10.000 10.259 -2.227 1.00 0.74 H new ATOM 0 HG3 GLN A 29 10.215 8.969 -3.393 1.00 0.74 H new ATOM 0 HE21 GLN A 29 10.438 10.084 -5.377 1.00 1.30 H new ATOM 0 HE22 GLN A 29 9.258 11.256 -5.975 1.00 1.30 H new ATOM 165 N ILE A 30 6.861 8.345 0.550 1.00 0.22 N ATOM 166 CA ILE A 30 5.783 7.593 1.259 1.00 0.23 C ATOM 167 C ILE A 30 4.869 8.601 1.948 1.00 0.15 C ATOM 168 O ILE A 30 3.665 8.456 1.961 1.00 0.15 O ATOM 169 CB ILE A 30 6.369 6.652 2.311 1.00 0.28 C ATOM 170 CG1 ILE A 30 7.518 5.819 1.701 1.00 0.44 C ATOM 171 CG2 ILE A 30 5.262 5.742 2.847 1.00 0.27 C ATOM 172 CD1 ILE A 30 6.975 4.596 0.945 1.00 0.33 C ATOM 0 H ILE A 30 7.782 8.312 0.987 1.00 0.22 H new ATOM 0 HA ILE A 30 5.231 6.995 0.534 1.00 0.23 H new ATOM 0 HB ILE A 30 6.778 7.235 3.136 1.00 0.28 H new ATOM 0 HG12 ILE A 30 8.101 6.441 1.022 1.00 0.44 H new ATOM 0 HG13 ILE A 30 8.193 5.491 2.492 1.00 0.44 H new ATOM 0 HG21 ILE A 30 5.676 5.069 3.598 1.00 0.27 H new ATOM 0 HG22 ILE A 30 4.478 6.350 3.298 1.00 0.27 H new ATOM 0 HG23 ILE A 30 4.843 5.158 2.028 1.00 0.27 H new ATOM 0 HD11 ILE A 30 7.806 4.029 0.526 1.00 0.33 H new ATOM 0 HD12 ILE A 30 6.413 3.963 1.632 1.00 0.33 H new ATOM 0 HD13 ILE A 30 6.320 4.928 0.139 1.00 0.33 H new ATOM 184 N ARG A 31 5.435 9.636 2.514 1.00 0.14 N ATOM 185 CA ARG A 31 4.600 10.668 3.191 1.00 0.19 C ATOM 186 C ARG A 31 3.519 11.142 2.217 1.00 0.23 C ATOM 187 O ARG A 31 2.458 11.584 2.614 1.00 0.22 O ATOM 188 CB ARG A 31 5.484 11.850 3.595 1.00 0.28 C ATOM 189 CG ARG A 31 4.723 12.746 4.574 1.00 0.43 C ATOM 190 CD ARG A 31 5.621 13.911 4.997 1.00 0.69 C ATOM 191 NE ARG A 31 5.169 14.435 6.317 1.00 0.59 N ATOM 192 CZ ARG A 31 5.615 15.583 6.747 1.00 1.03 C ATOM 193 NH1 ARG A 31 6.836 15.954 6.468 1.00 1.67 N ATOM 194 NH2 ARG A 31 4.842 16.359 7.457 1.00 1.54 N ATOM 0 H ARG A 31 6.440 9.809 2.536 1.00 0.14 H new ATOM 0 HA ARG A 31 4.135 10.248 4.083 1.00 0.19 H new ATOM 0 HB2 ARG A 31 6.404 11.489 4.056 1.00 0.28 H new ATOM 0 HB3 ARG A 31 5.772 12.421 2.712 1.00 0.28 H new ATOM 0 HG2 ARG A 31 3.813 13.124 4.107 1.00 0.43 H new ATOM 0 HG3 ARG A 31 4.417 12.171 5.448 1.00 0.43 H new ATOM 0 HD2 ARG A 31 6.658 13.580 5.061 1.00 0.69 H new ATOM 0 HD3 ARG A 31 5.585 14.702 4.248 1.00 0.69 H new ATOM 0 HE ARG A 31 4.512 13.897 6.883 1.00 0.59 H new ATOM 0 HH11 ARG A 31 7.440 15.346 5.914 1.00 1.67 H new ATOM 0 HH12 ARG A 31 7.186 16.851 6.804 1.00 1.67 H new ATOM 0 HH21 ARG A 31 3.889 16.068 7.676 1.00 1.54 H new ATOM 0 HH22 ARG A 31 5.191 17.257 7.793 1.00 1.54 H new ATOM 208 N TYR A 32 3.779 11.030 0.941 1.00 0.35 N ATOM 209 CA TYR A 32 2.771 11.445 -0.068 1.00 0.44 C ATOM 210 C TYR A 32 1.780 10.301 -0.251 1.00 0.43 C ATOM 211 O TYR A 32 0.590 10.506 -0.387 1.00 0.47 O ATOM 212 CB TYR A 32 3.470 11.734 -1.398 1.00 0.50 C ATOM 213 CG TYR A 32 3.024 13.076 -1.923 1.00 0.35 C ATOM 214 CD1 TYR A 32 3.674 14.242 -1.503 1.00 1.26 C ATOM 215 CD2 TYR A 32 1.962 13.152 -2.830 1.00 1.72 C ATOM 216 CE1 TYR A 32 3.261 15.487 -1.992 1.00 1.39 C ATOM 217 CE2 TYR A 32 1.548 14.397 -3.319 1.00 1.58 C ATOM 218 CZ TYR A 32 2.198 15.565 -2.900 1.00 0.10 C ATOM 219 OH TYR A 32 1.790 16.791 -3.383 1.00 0.10 O ATOM 0 H TYR A 32 4.651 10.667 0.556 1.00 0.35 H new ATOM 0 HA TYR A 32 2.252 12.344 0.264 1.00 0.44 H new ATOM 0 HB2 TYR A 32 4.551 11.727 -1.261 1.00 0.50 H new ATOM 0 HB3 TYR A 32 3.235 10.953 -2.121 1.00 0.50 H new ATOM 0 HD1 TYR A 32 4.494 14.181 -0.802 1.00 1.26 H new ATOM 0 HD2 TYR A 32 1.462 12.251 -3.153 1.00 1.72 H new ATOM 0 HE1 TYR A 32 3.762 16.387 -1.669 1.00 1.39 H new ATOM 0 HE2 TYR A 32 0.728 14.457 -4.019 1.00 1.58 H new ATOM 0 HH TYR A 32 1.042 16.666 -4.003 1.00 0.10 H new ATOM 229 N ILE A 33 2.266 9.088 -0.244 1.00 0.40 N ATOM 230 CA ILE A 33 1.359 7.917 -0.405 1.00 0.42 C ATOM 231 C ILE A 33 0.232 7.998 0.626 1.00 0.38 C ATOM 232 O ILE A 33 -0.928 7.835 0.306 1.00 0.38 O ATOM 233 CB ILE A 33 2.149 6.624 -0.190 1.00 0.40 C ATOM 234 CG1 ILE A 33 3.295 6.555 -1.201 1.00 0.44 C ATOM 235 CG2 ILE A 33 1.224 5.423 -0.388 1.00 0.45 C ATOM 236 CD1 ILE A 33 4.071 5.250 -1.008 1.00 0.59 C ATOM 0 H ILE A 33 3.254 8.859 -0.133 1.00 0.40 H new ATOM 0 HA ILE A 33 0.936 7.923 -1.410 1.00 0.42 H new ATOM 0 HB ILE A 33 2.554 6.609 0.822 1.00 0.40 H new ATOM 0 HG12 ILE A 33 2.902 6.609 -2.216 1.00 0.44 H new ATOM 0 HG13 ILE A 33 3.960 7.408 -1.071 1.00 0.44 H new ATOM 0 HG21 ILE A 33 1.786 4.502 -0.235 1.00 0.45 H new ATOM 0 HG22 ILE A 33 0.405 5.472 0.330 1.00 0.45 H new ATOM 0 HG23 ILE A 33 0.820 5.438 -1.400 1.00 0.45 H new ATOM 0 HD11 ILE A 33 4.887 5.202 -1.729 1.00 0.59 H new ATOM 0 HD12 ILE A 33 4.477 5.214 0.003 1.00 0.59 H new ATOM 0 HD13 ILE A 33 3.402 4.403 -1.160 1.00 0.59 H new ATOM 248 N LEU A 34 0.565 8.250 1.862 1.00 0.35 N ATOM 249 CA LEU A 34 -0.482 8.341 2.918 1.00 0.32 C ATOM 250 C LEU A 34 -1.294 9.622 2.732 1.00 0.27 C ATOM 251 O LEU A 34 -2.504 9.619 2.833 1.00 0.24 O ATOM 252 CB LEU A 34 0.190 8.368 4.291 1.00 0.34 C ATOM 253 CG LEU A 34 0.128 6.980 4.925 1.00 0.38 C ATOM 254 CD1 LEU A 34 1.501 6.317 4.822 1.00 0.37 C ATOM 255 CD2 LEU A 34 -0.266 7.109 6.398 1.00 0.71 C ATOM 0 H LEU A 34 1.521 8.397 2.187 1.00 0.35 H new ATOM 0 HA LEU A 34 -1.145 7.479 2.845 1.00 0.32 H new ATOM 0 HB2 LEU A 34 1.228 8.686 4.192 1.00 0.34 H new ATOM 0 HB3 LEU A 34 -0.306 9.094 4.935 1.00 0.34 H new ATOM 0 HG LEU A 34 -0.612 6.373 4.404 1.00 0.38 H new ATOM 0 HD11 LEU A 34 1.461 5.326 5.274 1.00 0.37 H new ATOM 0 HD12 LEU A 34 1.784 6.227 3.773 1.00 0.37 H new ATOM 0 HD13 LEU A 34 2.239 6.925 5.346 1.00 0.37 H new ATOM 0 HD21 LEU A 34 -0.310 6.119 6.851 1.00 0.71 H new ATOM 0 HD22 LEU A 34 0.474 7.714 6.921 1.00 0.71 H new ATOM 0 HD23 LEU A 34 -1.243 7.586 6.473 1.00 0.71 H new ATOM 267 N ASP A 35 -0.641 10.724 2.456 1.00 0.26 N ATOM 268 CA ASP A 35 -1.388 12.003 2.258 1.00 0.22 C ATOM 269 C ASP A 35 -2.497 11.766 1.237 1.00 0.19 C ATOM 270 O ASP A 35 -3.531 12.403 1.258 1.00 0.13 O ATOM 271 CB ASP A 35 -0.433 13.087 1.747 1.00 0.26 C ATOM 272 CG ASP A 35 0.207 13.815 2.934 1.00 1.02 C ATOM 273 OD1 ASP A 35 -0.016 13.392 4.058 1.00 1.72 O ATOM 274 OD2 ASP A 35 0.908 14.784 2.699 1.00 1.17 O ATOM 0 H ASP A 35 0.372 10.793 2.360 1.00 0.26 H new ATOM 0 HA ASP A 35 -1.819 12.333 3.203 1.00 0.22 H new ATOM 0 HB2 ASP A 35 0.340 12.639 1.123 1.00 0.26 H new ATOM 0 HB3 ASP A 35 -0.975 13.797 1.122 1.00 0.26 H new ATOM 279 N GLY A 36 -2.291 10.825 0.360 1.00 0.27 N ATOM 280 CA GLY A 36 -3.331 10.506 -0.646 1.00 0.26 C ATOM 281 C GLY A 36 -4.398 9.648 0.029 1.00 0.24 C ATOM 282 O GLY A 36 -5.577 9.910 -0.069 1.00 0.22 O ATOM 0 H GLY A 36 -1.442 10.263 0.299 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -3.772 11.421 -1.040 1.00 0.26 H new ATOM 0 HA3 GLY A 36 -2.893 9.974 -1.490 1.00 0.26 H new ATOM 286 N ILE A 37 -3.979 8.620 0.713 1.00 0.27 N ATOM 287 CA ILE A 37 -4.940 7.714 1.407 1.00 0.26 C ATOM 288 C ILE A 37 -5.878 8.508 2.320 1.00 0.24 C ATOM 289 O ILE A 37 -6.958 8.054 2.648 1.00 0.24 O ATOM 290 CB ILE A 37 -4.167 6.697 2.246 1.00 0.27 C ATOM 291 CG1 ILE A 37 -3.227 5.889 1.339 1.00 0.33 C ATOM 292 CG2 ILE A 37 -5.155 5.756 2.942 1.00 0.25 C ATOM 293 CD1 ILE A 37 -4.040 5.022 0.380 1.00 0.45 C ATOM 0 H ILE A 37 -2.998 8.365 0.823 1.00 0.27 H new ATOM 0 HA ILE A 37 -5.537 7.203 0.652 1.00 0.26 H new ATOM 0 HB ILE A 37 -3.575 7.219 2.998 1.00 0.27 H new ATOM 0 HG12 ILE A 37 -2.584 6.564 0.775 1.00 0.33 H new ATOM 0 HG13 ILE A 37 -2.575 5.261 1.946 1.00 0.33 H new ATOM 0 HG21 ILE A 37 -4.605 5.030 3.541 1.00 0.25 H new ATOM 0 HG22 ILE A 37 -5.815 6.335 3.589 1.00 0.25 H new ATOM 0 HG23 ILE A 37 -5.749 5.233 2.192 1.00 0.25 H new ATOM 0 HD11 ILE A 37 -3.364 4.453 -0.258 1.00 0.45 H new ATOM 0 HD12 ILE A 37 -4.664 4.335 0.951 1.00 0.45 H new ATOM 0 HD13 ILE A 37 -4.673 5.659 -0.238 1.00 0.45 H new ATOM 305 N SER A 38 -5.496 9.688 2.730 1.00 0.23 N ATOM 306 CA SER A 38 -6.396 10.480 3.607 1.00 0.22 C ATOM 307 C SER A 38 -7.596 10.878 2.768 1.00 0.20 C ATOM 308 O SER A 38 -8.738 10.742 3.168 1.00 0.21 O ATOM 309 CB SER A 38 -5.673 11.732 4.103 1.00 0.22 C ATOM 310 OG SER A 38 -5.367 12.568 2.995 1.00 1.95 O ATOM 0 H SER A 38 -4.608 10.132 2.497 1.00 0.23 H new ATOM 0 HA SER A 38 -6.702 9.898 4.476 1.00 0.22 H new ATOM 0 HB2 SER A 38 -6.299 12.269 4.816 1.00 0.22 H new ATOM 0 HB3 SER A 38 -4.759 11.454 4.627 1.00 0.22 H new ATOM 0 HG SER A 38 -4.593 12.205 2.515 1.00 1.95 H new ATOM 316 N ALA A 39 -7.336 11.338 1.581 1.00 0.18 N ATOM 317 CA ALA A 39 -8.442 11.717 0.683 1.00 0.17 C ATOM 318 C ALA A 39 -9.065 10.440 0.112 1.00 0.18 C ATOM 319 O ALA A 39 -10.150 10.460 -0.435 1.00 0.18 O ATOM 320 CB ALA A 39 -7.909 12.589 -0.456 1.00 0.17 C ATOM 0 H ALA A 39 -6.400 11.466 1.197 1.00 0.18 H new ATOM 0 HA ALA A 39 -9.193 12.283 1.235 1.00 0.17 H new ATOM 0 HB1 ALA A 39 -8.730 12.866 -1.117 1.00 0.17 H new ATOM 0 HB2 ALA A 39 -7.456 13.490 -0.043 1.00 0.17 H new ATOM 0 HB3 ALA A 39 -7.161 12.033 -1.021 1.00 0.17 H new ATOM 326 N LEU A 40 -8.387 9.324 0.243 1.00 0.20 N ATOM 327 CA LEU A 40 -8.943 8.052 -0.284 1.00 0.21 C ATOM 328 C LEU A 40 -9.557 7.236 0.852 1.00 0.20 C ATOM 329 O LEU A 40 -10.077 6.163 0.633 1.00 0.22 O ATOM 330 CB LEU A 40 -7.842 7.230 -0.952 1.00 0.18 C ATOM 331 CG LEU A 40 -7.056 8.114 -1.917 1.00 0.19 C ATOM 332 CD1 LEU A 40 -5.682 7.492 -2.171 1.00 0.29 C ATOM 333 CD2 LEU A 40 -7.820 8.221 -3.234 1.00 0.27 C ATOM 0 H LEU A 40 -7.475 9.246 0.692 1.00 0.20 H new ATOM 0 HA LEU A 40 -9.712 8.291 -1.018 1.00 0.21 H new ATOM 0 HB2 LEU A 40 -7.174 6.816 -0.196 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -8.278 6.387 -1.488 1.00 0.18 H new ATOM 0 HG LEU A 40 -6.929 9.107 -1.487 1.00 0.19 H new ATOM 0 HD11 LEU A 40 -5.119 8.122 -2.860 1.00 0.29 H new ATOM 0 HD12 LEU A 40 -5.140 7.410 -1.229 1.00 0.29 H new ATOM 0 HD13 LEU A 40 -5.806 6.500 -2.605 1.00 0.29 H new ATOM 0 HD21 LEU A 40 -7.263 8.851 -3.927 1.00 0.27 H new ATOM 0 HD22 LEU A 40 -7.943 7.227 -3.665 1.00 0.27 H new ATOM 0 HD23 LEU A 40 -8.800 8.661 -3.051 1.00 0.27 H new ATOM 345 N ARG A 41 -9.513 7.726 2.061 1.00 0.19 N ATOM 346 CA ARG A 41 -10.116 6.959 3.180 1.00 0.20 C ATOM 347 C ARG A 41 -11.003 7.875 4.027 1.00 0.23 C ATOM 348 O ARG A 41 -11.556 7.464 5.025 1.00 0.28 O ATOM 349 CB ARG A 41 -9.025 6.354 4.057 1.00 0.19 C ATOM 350 CG ARG A 41 -9.636 5.214 4.870 1.00 0.24 C ATOM 351 CD ARG A 41 -8.629 4.726 5.911 1.00 0.21 C ATOM 352 NE ARG A 41 -9.231 4.837 7.270 1.00 0.57 N ATOM 353 CZ ARG A 41 -9.088 5.935 7.961 1.00 1.04 C ATOM 354 NH1 ARG A 41 -9.697 7.027 7.587 1.00 2.37 N ATOM 355 NH2 ARG A 41 -8.334 5.942 9.027 1.00 0.96 N ATOM 0 H ARG A 41 -9.089 8.617 2.318 1.00 0.19 H new ATOM 0 HA ARG A 41 -10.722 6.156 2.761 1.00 0.20 H new ATOM 0 HB2 ARG A 41 -8.205 5.984 3.441 1.00 0.19 H new ATOM 0 HB3 ARG A 41 -8.608 7.112 4.720 1.00 0.19 H new ATOM 0 HG2 ARG A 41 -10.547 5.554 5.363 1.00 0.24 H new ATOM 0 HG3 ARG A 41 -9.917 4.394 4.210 1.00 0.24 H new ATOM 0 HD2 ARG A 41 -8.351 3.692 5.708 1.00 0.21 H new ATOM 0 HD3 ARG A 41 -7.716 5.319 5.856 1.00 0.21 H new ATOM 0 HE ARG A 41 -9.755 4.054 7.660 1.00 0.57 H new ATOM 0 HH11 ARG A 41 -10.285 7.023 6.754 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -9.585 7.884 8.128 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -7.857 5.089 9.320 1.00 0.96 H new ATOM 0 HH22 ARG A 41 -8.222 6.800 9.567 1.00 0.96 H new ATOM 369 N LYS A 42 -11.157 9.109 3.640 1.00 0.24 N ATOM 370 CA LYS A 42 -12.031 10.016 4.423 1.00 0.27 C ATOM 371 C LYS A 42 -13.455 9.867 3.897 1.00 0.25 C ATOM 372 O LYS A 42 -14.413 9.809 4.645 1.00 0.27 O ATOM 373 CB LYS A 42 -11.559 11.458 4.239 1.00 0.30 C ATOM 374 CG LYS A 42 -12.363 12.380 5.156 1.00 0.41 C ATOM 375 CD LYS A 42 -11.712 12.417 6.541 1.00 1.87 C ATOM 376 CE LYS A 42 -12.437 13.442 7.416 1.00 1.89 C ATOM 377 NZ LYS A 42 -13.019 12.758 8.606 1.00 3.61 N ATOM 0 H LYS A 42 -10.717 9.525 2.819 1.00 0.24 H new ATOM 0 HA LYS A 42 -11.993 9.766 5.483 1.00 0.27 H new ATOM 0 HB2 LYS A 42 -10.496 11.536 4.469 1.00 0.30 H new ATOM 0 HB3 LYS A 42 -11.684 11.763 3.200 1.00 0.30 H new ATOM 0 HG2 LYS A 42 -12.403 13.384 4.735 1.00 0.41 H new ATOM 0 HG3 LYS A 42 -13.391 12.026 5.235 1.00 0.41 H new ATOM 0 HD2 LYS A 42 -11.758 11.431 7.003 1.00 1.87 H new ATOM 0 HD3 LYS A 42 -10.658 12.679 6.453 1.00 1.87 H new ATOM 0 HE2 LYS A 42 -11.743 14.220 7.734 1.00 1.89 H new ATOM 0 HE3 LYS A 42 -13.225 13.932 6.844 1.00 1.89 H new ATOM 0 HZ1 LYS A 42 -13.512 13.455 9.200 1.00 3.61 H new ATOM 0 HZ2 LYS A 42 -13.694 12.031 8.293 1.00 3.61 H new ATOM 0 HZ3 LYS A 42 -12.258 12.310 9.156 1.00 3.61 H new ATOM 391 N GLU A 43 -13.590 9.785 2.603 1.00 0.23 N ATOM 392 CA GLU A 43 -14.930 9.630 1.993 1.00 0.20 C ATOM 393 C GLU A 43 -15.316 8.156 2.006 1.00 0.15 C ATOM 394 O GLU A 43 -16.369 7.784 2.501 1.00 0.20 O ATOM 395 CB GLU A 43 -14.877 10.129 0.547 1.00 0.20 C ATOM 396 CG GLU A 43 -16.175 10.868 0.214 1.00 0.31 C ATOM 397 CD GLU A 43 -16.094 11.433 -1.206 1.00 0.58 C ATOM 398 OE1 GLU A 43 -15.090 12.052 -1.518 1.00 1.49 O ATOM 399 OE2 GLU A 43 -17.036 11.238 -1.955 1.00 0.73 O ATOM 0 H GLU A 43 -12.817 9.820 1.938 1.00 0.23 H new ATOM 0 HA GLU A 43 -15.666 10.205 2.555 1.00 0.20 H new ATOM 0 HB2 GLU A 43 -14.023 10.793 0.411 1.00 0.20 H new ATOM 0 HB3 GLU A 43 -14.739 9.289 -0.134 1.00 0.20 H new ATOM 0 HG2 GLU A 43 -17.024 10.189 0.298 1.00 0.31 H new ATOM 0 HG3 GLU A 43 -16.340 11.675 0.928 1.00 0.31 H new ATOM 406 N THR A 44 -14.467 7.319 1.457 1.00 0.12 N ATOM 407 CA THR A 44 -14.764 5.861 1.413 1.00 0.15 C ATOM 408 C THR A 44 -14.297 5.180 2.699 1.00 0.23 C ATOM 409 O THR A 44 -13.535 4.233 2.682 1.00 0.48 O ATOM 410 CB THR A 44 -14.076 5.228 0.200 1.00 0.38 C ATOM 411 OG1 THR A 44 -14.488 3.874 0.076 1.00 0.56 O ATOM 412 CG2 THR A 44 -12.561 5.288 0.373 1.00 0.30 C ATOM 0 H THR A 44 -13.578 7.590 1.037 1.00 0.12 H new ATOM 0 HA THR A 44 -15.842 5.725 1.324 1.00 0.15 H new ATOM 0 HB THR A 44 -14.355 5.778 -0.699 1.00 0.38 H new ATOM 0 HG1 THR A 44 -14.249 3.383 0.890 1.00 0.56 H new ATOM 0 HG21 THR A 44 -12.078 4.836 -0.493 1.00 0.30 H new ATOM 0 HG22 THR A 44 -12.246 6.328 0.463 1.00 0.30 H new ATOM 0 HG23 THR A 44 -12.276 4.743 1.273 1.00 0.30 H new ATOM 420 N CYS A 45 -14.775 5.652 3.806 1.00 0.27 N ATOM 421 CA CYS A 45 -14.415 5.057 5.115 1.00 0.39 C ATOM 422 C CYS A 45 -15.232 5.790 6.173 1.00 0.42 C ATOM 423 O CYS A 45 -15.762 5.197 7.092 1.00 0.53 O ATOM 424 CB CYS A 45 -12.921 5.223 5.384 1.00 0.55 C ATOM 425 SG CYS A 45 -12.204 3.628 5.866 1.00 1.28 S ATOM 0 H CYS A 45 -15.415 6.444 3.861 1.00 0.27 H new ATOM 0 HA CYS A 45 -14.630 3.989 5.129 1.00 0.39 H new ATOM 0 HB2 CYS A 45 -12.421 5.602 4.493 1.00 0.55 H new ATOM 0 HB3 CYS A 45 -12.764 5.957 6.174 1.00 0.55 H new ATOM 0 HG CYS A 45 -12.276 2.800 4.866 1.00 1.28 H new ATOM 430 N ASN A 46 -15.372 7.083 6.023 1.00 0.39 N ATOM 431 CA ASN A 46 -16.193 7.852 6.988 1.00 0.51 C ATOM 432 C ASN A 46 -17.662 7.681 6.599 1.00 0.44 C ATOM 433 O ASN A 46 -18.477 7.251 7.389 1.00 0.49 O ATOM 434 CB ASN A 46 -15.812 9.333 6.926 1.00 0.61 C ATOM 435 CG ASN A 46 -16.381 10.059 8.147 1.00 0.56 C ATOM 436 OD1 ASN A 46 -15.660 10.371 9.073 1.00 1.19 O ATOM 437 ND2 ASN A 46 -17.654 10.343 8.186 1.00 1.51 N ATOM 0 H ASN A 46 -14.952 7.632 5.274 1.00 0.39 H new ATOM 0 HA ASN A 46 -16.024 7.491 8.002 1.00 0.51 H new ATOM 0 HB2 ASN A 46 -14.728 9.439 6.899 1.00 0.61 H new ATOM 0 HB3 ASN A 46 -16.199 9.781 6.011 1.00 0.61 H new ATOM 0 HD21 ASN A 46 -18.044 10.827 8.995 1.00 1.51 H new ATOM 0 HD22 ASN A 46 -18.259 10.081 7.408 1.00 1.51 H new ATOM 444 N LYS A 47 -18.004 8.004 5.375 1.00 0.39 N ATOM 445 CA LYS A 47 -19.418 7.841 4.936 1.00 0.48 C ATOM 446 C LYS A 47 -19.606 6.477 4.259 1.00 0.35 C ATOM 447 O LYS A 47 -20.621 6.220 3.644 1.00 0.54 O ATOM 448 CB LYS A 47 -19.780 8.950 3.945 1.00 0.73 C ATOM 449 CG LYS A 47 -20.583 10.038 4.661 1.00 1.28 C ATOM 450 CD LYS A 47 -21.459 10.774 3.645 1.00 1.07 C ATOM 451 CE LYS A 47 -21.340 12.283 3.861 1.00 2.15 C ATOM 452 NZ LYS A 47 -22.624 12.809 4.402 1.00 2.55 N ATOM 0 H LYS A 47 -17.367 8.371 4.668 1.00 0.39 H new ATOM 0 HA LYS A 47 -20.067 7.902 5.809 1.00 0.48 H new ATOM 0 HB2 LYS A 47 -18.874 9.377 3.515 1.00 0.73 H new ATOM 0 HB3 LYS A 47 -20.362 8.538 3.120 1.00 0.73 H new ATOM 0 HG2 LYS A 47 -21.204 9.595 5.439 1.00 1.28 H new ATOM 0 HG3 LYS A 47 -19.909 10.740 5.152 1.00 1.28 H new ATOM 0 HD2 LYS A 47 -21.152 10.516 2.631 1.00 1.07 H new ATOM 0 HD3 LYS A 47 -22.498 10.462 3.752 1.00 1.07 H new ATOM 0 HE2 LYS A 47 -20.526 12.499 4.553 1.00 2.15 H new ATOM 0 HE3 LYS A 47 -21.099 12.778 2.920 1.00 2.15 H new ATOM 0 HZ1 LYS A 47 -22.544 13.835 4.549 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -23.391 12.615 3.727 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -22.835 12.345 5.308 1.00 2.55 H new ATOM 466 N SER A 48 -18.634 5.607 4.343 1.00 0.16 N ATOM 467 CA SER A 48 -18.765 4.279 3.676 1.00 0.41 C ATOM 468 C SER A 48 -19.661 3.342 4.495 1.00 0.78 C ATOM 469 O SER A 48 -19.853 2.199 4.137 1.00 1.33 O ATOM 470 CB SER A 48 -17.379 3.648 3.530 1.00 0.20 C ATOM 471 OG SER A 48 -17.426 2.638 2.531 1.00 1.10 O ATOM 0 H SER A 48 -17.758 5.758 4.843 1.00 0.16 H new ATOM 0 HA SER A 48 -19.218 4.427 2.696 1.00 0.41 H new ATOM 0 HB2 SER A 48 -16.647 4.409 3.260 1.00 0.20 H new ATOM 0 HB3 SER A 48 -17.059 3.221 4.480 1.00 0.20 H new ATOM 0 HG SER A 48 -18.172 2.816 1.921 1.00 1.10 H new ATOM 477 N ASN A 49 -20.202 3.797 5.594 1.00 0.70 N ATOM 478 CA ASN A 49 -21.081 2.912 6.425 1.00 1.01 C ATOM 479 C ASN A 49 -20.419 1.541 6.645 1.00 1.11 C ATOM 480 O ASN A 49 -21.077 0.571 6.963 1.00 1.59 O ATOM 481 CB ASN A 49 -22.419 2.714 5.709 1.00 1.35 C ATOM 482 CG ASN A 49 -23.563 3.105 6.647 1.00 1.51 C ATOM 483 OD1 ASN A 49 -24.077 2.280 7.375 1.00 1.87 O ATOM 484 ND2 ASN A 49 -23.987 4.340 6.660 1.00 2.11 N ATOM 0 H ASN A 49 -20.075 4.743 5.955 1.00 0.70 H new ATOM 0 HA ASN A 49 -21.238 3.386 7.394 1.00 1.01 H new ATOM 0 HB2 ASN A 49 -22.453 3.321 4.804 1.00 1.35 H new ATOM 0 HB3 ASN A 49 -22.528 1.675 5.399 1.00 1.35 H new ATOM 0 HD21 ASN A 49 -24.749 4.611 7.281 1.00 2.11 H new ATOM 0 HD22 ASN A 49 -23.556 5.034 6.049 1.00 2.11 H new ATOM 491 N MET A 50 -19.126 1.454 6.482 1.00 0.78 N ATOM 492 CA MET A 50 -18.424 0.156 6.683 1.00 0.86 C ATOM 493 C MET A 50 -16.979 0.444 7.084 1.00 0.57 C ATOM 494 O MET A 50 -16.054 -0.214 6.651 1.00 0.59 O ATOM 495 CB MET A 50 -18.441 -0.646 5.378 1.00 1.06 C ATOM 496 CG MET A 50 -19.672 -1.556 5.352 1.00 1.66 C ATOM 497 SD MET A 50 -20.587 -1.298 3.811 1.00 2.74 S ATOM 498 CE MET A 50 -19.420 -2.139 2.712 1.00 1.76 C ATOM 0 H MET A 50 -18.523 2.233 6.216 1.00 0.78 H new ATOM 0 HA MET A 50 -18.923 -0.421 7.462 1.00 0.86 H new ATOM 0 HB2 MET A 50 -18.458 0.031 4.524 1.00 1.06 H new ATOM 0 HB3 MET A 50 -17.533 -1.243 5.294 1.00 1.06 H new ATOM 0 HG2 MET A 50 -19.367 -2.599 5.435 1.00 1.66 H new ATOM 0 HG3 MET A 50 -20.313 -1.342 6.207 1.00 1.66 H new ATOM 0 HE1 MET A 50 -19.943 -2.479 1.818 1.00 1.76 H new ATOM 0 HE2 MET A 50 -18.626 -1.449 2.428 1.00 1.76 H new ATOM 0 HE3 MET A 50 -18.988 -2.997 3.228 1.00 1.76 H new ATOM 660 N ASN A 62 -12.288 -10.422 3.384 1.00 3.43 N ATOM 661 CA ASN A 62 -12.007 -9.478 2.266 1.00 4.45 C ATOM 662 C ASN A 62 -10.511 -9.477 1.996 1.00 2.96 C ATOM 663 O ASN A 62 -9.777 -8.781 2.664 1.00 2.30 O ATOM 664 CB ASN A 62 -12.429 -8.064 2.662 1.00 5.66 C ATOM 665 CG ASN A 62 -13.463 -7.543 1.662 1.00 7.70 C ATOM 666 OD1 ASN A 62 -13.121 -7.177 0.555 1.00 8.42 O ATOM 667 ND2 ASN A 62 -14.722 -7.490 2.003 1.00 8.90 N ATOM 0 HA ASN A 62 -12.560 -9.790 1.380 1.00 4.45 H new ATOM 0 HB2 ASN A 62 -12.849 -8.066 3.668 1.00 5.66 H new ATOM 0 HB3 ASN A 62 -11.561 -7.405 2.680 1.00 5.66 H new ATOM 0 HD21 ASN A 62 -15.415 -7.142 1.341 1.00 8.90 H new ATOM 0 HD22 ASN A 62 -15.012 -7.797 2.932 1.00 8.90 H new ATOM 674 N LEU A 63 -10.062 -10.248 1.026 1.00 3.17 N ATOM 675 CA LEU A 63 -8.596 -10.323 0.691 1.00 1.86 C ATOM 676 C LEU A 63 -7.768 -10.292 1.980 1.00 1.13 C ATOM 677 O LEU A 63 -8.289 -10.520 3.056 1.00 1.88 O ATOM 678 CB LEU A 63 -8.164 -9.175 -0.250 1.00 2.00 C ATOM 679 CG LEU A 63 -9.015 -7.921 -0.060 1.00 1.04 C ATOM 680 CD1 LEU A 63 -8.480 -7.111 1.124 1.00 1.39 C ATOM 681 CD2 LEU A 63 -8.934 -7.065 -1.326 1.00 1.33 C ATOM 0 H LEU A 63 -10.658 -10.837 0.444 1.00 3.17 H new ATOM 0 HA LEU A 63 -8.418 -11.261 0.166 1.00 1.86 H new ATOM 0 HB2 LEU A 63 -7.117 -8.932 -0.067 1.00 2.00 H new ATOM 0 HB3 LEU A 63 -8.238 -9.509 -1.285 1.00 2.00 H new ATOM 0 HG LEU A 63 -10.049 -8.209 0.132 1.00 1.04 H new ATOM 0 HD11 LEU A 63 -9.089 -6.217 1.258 1.00 1.39 H new ATOM 0 HD12 LEU A 63 -8.523 -7.718 2.029 1.00 1.39 H new ATOM 0 HD13 LEU A 63 -7.447 -6.821 0.930 1.00 1.39 H new ATOM 0 HD21 LEU A 63 -9.539 -6.168 -1.198 1.00 1.33 H new ATOM 0 HD22 LEU A 63 -7.897 -6.781 -1.507 1.00 1.33 H new ATOM 0 HD23 LEU A 63 -9.307 -7.636 -2.176 1.00 1.33 H new ATOM 693 N ASN A 64 -6.496 -10.026 1.905 1.00 0.99 N ATOM 694 CA ASN A 64 -5.712 -9.993 3.172 1.00 2.42 C ATOM 695 C ASN A 64 -4.543 -9.013 3.107 1.00 2.84 C ATOM 696 O ASN A 64 -3.961 -8.686 4.122 1.00 4.63 O ATOM 697 CB ASN A 64 -5.196 -11.392 3.498 1.00 3.27 C ATOM 698 CG ASN A 64 -4.526 -11.992 2.260 1.00 2.37 C ATOM 699 OD1 ASN A 64 -3.315 -12.041 2.172 1.00 2.26 O ATOM 700 ND2 ASN A 64 -5.269 -12.456 1.292 1.00 2.17 N ATOM 0 H ASN A 64 -5.975 -9.835 1.049 1.00 0.99 H new ATOM 0 HA ASN A 64 -6.382 -9.649 3.960 1.00 2.42 H new ATOM 0 HB2 ASN A 64 -4.485 -11.345 4.323 1.00 3.27 H new ATOM 0 HB3 ASN A 64 -6.019 -12.028 3.823 1.00 3.27 H new ATOM 0 HD21 ASN A 64 -4.833 -12.859 0.463 1.00 2.17 H new ATOM 0 HD22 ASN A 64 -6.286 -12.415 1.365 1.00 2.17 H new ATOM 707 N LEU A 65 -4.203 -8.528 1.954 1.00 1.32 N ATOM 708 CA LEU A 65 -3.085 -7.558 1.860 1.00 1.63 C ATOM 709 C LEU A 65 -1.793 -8.190 2.409 1.00 0.86 C ATOM 710 O LEU A 65 -1.845 -9.174 3.119 1.00 2.08 O ATOM 711 CB LEU A 65 -3.439 -6.305 2.684 1.00 2.61 C ATOM 712 CG LEU A 65 -4.472 -5.408 1.962 1.00 1.53 C ATOM 713 CD1 LEU A 65 -3.739 -4.363 1.120 1.00 1.19 C ATOM 714 CD2 LEU A 65 -5.406 -6.221 1.052 1.00 0.70 C ATOM 0 H LEU A 65 -4.652 -8.761 1.068 1.00 1.32 H new ATOM 0 HA LEU A 65 -2.927 -7.283 0.817 1.00 1.63 H new ATOM 0 HB2 LEU A 65 -3.837 -6.609 3.652 1.00 2.61 H new ATOM 0 HB3 LEU A 65 -2.533 -5.731 2.878 1.00 2.61 H new ATOM 0 HG LEU A 65 -5.082 -4.927 2.727 1.00 1.53 H new ATOM 0 HD11 LEU A 65 -4.466 -3.731 0.611 1.00 1.19 H new ATOM 0 HD12 LEU A 65 -3.113 -3.748 1.767 1.00 1.19 H new ATOM 0 HD13 LEU A 65 -3.114 -4.864 0.381 1.00 1.19 H new ATOM 0 HD21 LEU A 65 -6.114 -5.550 0.566 1.00 0.70 H new ATOM 0 HD22 LEU A 65 -4.817 -6.738 0.294 1.00 0.70 H new ATOM 0 HD23 LEU A 65 -5.950 -6.952 1.650 1.00 0.70 H new ATOM 726 N PRO A 66 -0.660 -7.605 2.073 1.00 0.90 N ATOM 727 CA PRO A 66 0.647 -8.102 2.539 1.00 1.04 C ATOM 728 C PRO A 66 0.905 -7.638 3.978 1.00 0.81 C ATOM 729 O PRO A 66 1.551 -6.635 4.209 1.00 2.26 O ATOM 730 CB PRO A 66 1.644 -7.457 1.573 1.00 3.00 C ATOM 731 CG PRO A 66 0.941 -6.209 0.986 1.00 3.87 C ATOM 732 CD PRO A 66 -0.572 -6.411 1.199 1.00 2.76 C ATOM 0 HA PRO A 66 0.716 -9.190 2.548 1.00 1.04 H new ATOM 0 HB2 PRO A 66 2.561 -7.178 2.091 1.00 3.00 H new ATOM 0 HB3 PRO A 66 1.924 -8.153 0.782 1.00 3.00 H new ATOM 0 HG2 PRO A 66 1.284 -5.302 1.484 1.00 3.87 H new ATOM 0 HG3 PRO A 66 1.171 -6.098 -0.074 1.00 3.87 H new ATOM 0 HD2 PRO A 66 -1.028 -5.539 1.668 1.00 2.76 H new ATOM 0 HD3 PRO A 66 -1.090 -6.571 0.253 1.00 2.76 H new ATOM 740 N LYS A 67 0.399 -8.355 4.944 1.00 1.46 N ATOM 741 CA LYS A 67 0.607 -7.950 6.364 1.00 2.64 C ATOM 742 C LYS A 67 2.093 -8.041 6.721 1.00 1.96 C ATOM 743 O LYS A 67 2.845 -8.777 6.115 1.00 2.15 O ATOM 744 CB LYS A 67 -0.192 -8.877 7.281 1.00 4.28 C ATOM 745 CG LYS A 67 -1.631 -8.371 7.387 1.00 5.50 C ATOM 746 CD LYS A 67 -2.334 -9.062 8.557 1.00 6.94 C ATOM 747 CE LYS A 67 -1.733 -8.573 9.875 1.00 7.71 C ATOM 748 NZ LYS A 67 -2.710 -7.686 10.568 1.00 9.07 N ATOM 0 H LYS A 67 -0.150 -9.204 4.811 1.00 1.46 H new ATOM 0 HA LYS A 67 0.269 -6.922 6.495 1.00 2.64 H new ATOM 0 HB2 LYS A 67 -0.181 -9.894 6.888 1.00 4.28 H new ATOM 0 HB3 LYS A 67 0.266 -8.912 8.269 1.00 4.28 H new ATOM 0 HG2 LYS A 67 -1.637 -7.291 7.533 1.00 5.50 H new ATOM 0 HG3 LYS A 67 -2.167 -8.571 6.459 1.00 5.50 H new ATOM 0 HD2 LYS A 67 -3.402 -8.848 8.531 1.00 6.94 H new ATOM 0 HD3 LYS A 67 -2.224 -10.143 8.474 1.00 6.94 H new ATOM 0 HE2 LYS A 67 -1.483 -9.423 10.510 1.00 7.71 H new ATOM 0 HE3 LYS A 67 -0.806 -8.033 9.686 1.00 7.71 H new ATOM 0 HZ1 LYS A 67 -2.301 -7.353 11.465 1.00 9.07 H new ATOM 0 HZ2 LYS A 67 -2.928 -6.869 9.962 1.00 9.07 H new ATOM 0 HZ3 LYS A 67 -3.584 -8.216 10.761 1.00 9.07 H new ATOM 762 N MET A 68 2.517 -7.296 7.705 1.00 1.49 N ATOM 763 CA MET A 68 3.951 -7.333 8.112 1.00 0.84 C ATOM 764 C MET A 68 4.156 -8.442 9.146 1.00 0.86 C ATOM 765 O MET A 68 3.247 -9.183 9.462 1.00 1.27 O ATOM 766 CB MET A 68 4.337 -5.988 8.728 1.00 1.13 C ATOM 767 CG MET A 68 5.326 -5.268 7.811 1.00 0.56 C ATOM 768 SD MET A 68 6.679 -4.584 8.800 1.00 1.79 S ATOM 769 CE MET A 68 6.959 -3.099 7.807 1.00 0.81 C ATOM 0 H MET A 68 1.930 -6.661 8.246 1.00 1.49 H new ATOM 0 HA MET A 68 4.574 -7.528 7.239 1.00 0.84 H new ATOM 0 HB2 MET A 68 3.448 -5.375 8.873 1.00 1.13 H new ATOM 0 HB3 MET A 68 4.782 -6.141 9.711 1.00 1.13 H new ATOM 0 HG2 MET A 68 5.719 -5.961 7.067 1.00 0.56 H new ATOM 0 HG3 MET A 68 4.820 -4.470 7.267 1.00 0.56 H new ATOM 0 HE1 MET A 68 7.522 -2.371 8.391 1.00 0.81 H new ATOM 0 HE2 MET A 68 7.523 -3.361 6.912 1.00 0.81 H new ATOM 0 HE3 MET A 68 6.000 -2.668 7.518 1.00 0.81 H new ATOM 779 N ALA A 69 5.342 -8.561 9.678 1.00 0.87 N ATOM 780 CA ALA A 69 5.597 -9.620 10.693 1.00 1.57 C ATOM 781 C ALA A 69 6.943 -9.360 11.369 1.00 1.67 C ATOM 782 O ALA A 69 7.802 -8.692 10.826 1.00 1.91 O ATOM 783 CB ALA A 69 5.630 -10.989 10.009 1.00 1.95 C ATOM 0 H ALA A 69 6.143 -7.971 9.454 1.00 0.87 H new ATOM 0 HA ALA A 69 4.802 -9.606 11.439 1.00 1.57 H new ATOM 0 HB1 ALA A 69 5.817 -11.763 10.753 1.00 1.95 H new ATOM 0 HB2 ALA A 69 4.672 -11.176 9.523 1.00 1.95 H new ATOM 0 HB3 ALA A 69 6.424 -11.004 9.263 1.00 1.95 H new ATOM 789 N GLU A 70 7.137 -9.882 12.548 1.00 1.62 N ATOM 790 CA GLU A 70 8.431 -9.665 13.255 1.00 1.73 C ATOM 791 C GLU A 70 9.572 -10.253 12.420 1.00 1.76 C ATOM 792 O GLU A 70 10.721 -9.893 12.585 1.00 1.77 O ATOM 793 CB GLU A 70 8.390 -10.355 14.619 1.00 2.15 C ATOM 794 CG GLU A 70 8.050 -11.835 14.433 1.00 3.44 C ATOM 795 CD GLU A 70 9.102 -12.694 15.135 1.00 5.00 C ATOM 796 OE1 GLU A 70 10.268 -12.560 14.800 1.00 5.80 O ATOM 797 OE2 GLU A 70 8.724 -13.473 15.995 1.00 5.69 O ATOM 0 H GLU A 70 6.456 -10.449 13.053 1.00 1.62 H new ATOM 0 HA GLU A 70 8.594 -8.596 13.394 1.00 1.73 H new ATOM 0 HB2 GLU A 70 9.353 -10.252 15.119 1.00 2.15 H new ATOM 0 HB3 GLU A 70 7.647 -9.878 15.258 1.00 2.15 H new ATOM 0 HG2 GLU A 70 7.062 -12.046 14.842 1.00 3.44 H new ATOM 0 HG3 GLU A 70 8.015 -12.080 13.371 1.00 3.44 H new ATOM 804 N LYS A 71 9.267 -11.155 11.526 1.00 1.85 N ATOM 805 CA LYS A 71 10.335 -11.763 10.686 1.00 2.05 C ATOM 806 C LYS A 71 10.944 -10.695 9.773 1.00 1.72 C ATOM 807 O LYS A 71 12.126 -10.708 9.494 1.00 1.81 O ATOM 808 CB LYS A 71 9.738 -12.884 9.834 1.00 2.43 C ATOM 809 CG LYS A 71 10.784 -13.981 9.628 1.00 3.24 C ATOM 810 CD LYS A 71 10.649 -15.030 10.733 1.00 2.65 C ATOM 811 CE LYS A 71 9.490 -15.976 10.402 1.00 2.68 C ATOM 812 NZ LYS A 71 8.770 -16.350 11.655 1.00 1.88 N ATOM 0 H LYS A 71 8.323 -11.496 11.342 1.00 1.85 H new ATOM 0 HA LYS A 71 11.113 -12.171 11.331 1.00 2.05 H new ATOM 0 HB2 LYS A 71 8.855 -13.296 10.323 1.00 2.43 H new ATOM 0 HB3 LYS A 71 9.414 -12.490 8.871 1.00 2.43 H new ATOM 0 HG2 LYS A 71 10.650 -14.447 8.652 1.00 3.24 H new ATOM 0 HG3 LYS A 71 11.785 -13.550 9.641 1.00 3.24 H new ATOM 0 HD2 LYS A 71 11.577 -15.594 10.829 1.00 2.65 H new ATOM 0 HD3 LYS A 71 10.472 -14.543 11.692 1.00 2.65 H new ATOM 0 HE2 LYS A 71 8.803 -15.495 9.706 1.00 2.68 H new ATOM 0 HE3 LYS A 71 9.868 -16.871 9.908 1.00 2.68 H new ATOM 0 HZ1 LYS A 71 7.985 -16.992 11.426 1.00 1.88 H new ATOM 0 HZ2 LYS A 71 9.428 -16.826 12.304 1.00 1.88 H new ATOM 0 HZ3 LYS A 71 8.395 -15.493 12.109 1.00 1.88 H new ATOM 826 N ASP A 72 10.148 -9.768 9.306 1.00 1.43 N ATOM 827 CA ASP A 72 10.689 -8.701 8.413 1.00 1.29 C ATOM 828 C ASP A 72 11.894 -8.039 9.083 1.00 1.29 C ATOM 829 O ASP A 72 12.940 -7.875 8.487 1.00 1.64 O ATOM 830 CB ASP A 72 9.610 -7.647 8.158 1.00 1.24 C ATOM 831 CG ASP A 72 8.412 -8.296 7.461 1.00 1.08 C ATOM 832 OD1 ASP A 72 8.603 -9.323 6.833 1.00 1.34 O ATOM 833 OD2 ASP A 72 7.325 -7.752 7.567 1.00 1.72 O ATOM 0 H ASP A 72 9.149 -9.704 9.504 1.00 1.43 H new ATOM 0 HA ASP A 72 10.994 -9.145 7.465 1.00 1.29 H new ATOM 0 HB2 ASP A 72 9.296 -7.198 9.100 1.00 1.24 H new ATOM 0 HB3 ASP A 72 10.011 -6.843 7.540 1.00 1.24 H new ATOM 838 N GLY A 73 11.754 -7.660 10.325 1.00 1.06 N ATOM 839 CA GLY A 73 12.890 -7.011 11.040 1.00 1.38 C ATOM 840 C GLY A 73 12.639 -5.507 11.152 1.00 1.18 C ATOM 841 O GLY A 73 13.558 -4.721 11.261 1.00 1.39 O ATOM 0 H GLY A 73 10.902 -7.772 10.875 1.00 1.06 H new ATOM 0 HA2 GLY A 73 13.002 -7.445 12.033 1.00 1.38 H new ATOM 0 HA3 GLY A 73 13.821 -7.195 10.505 1.00 1.38 H new ATOM 845 N CYS A 74 11.400 -5.095 11.125 1.00 0.81 N ATOM 846 CA CYS A 74 11.097 -3.640 11.228 1.00 0.66 C ATOM 847 C CYS A 74 10.649 -3.311 12.652 1.00 0.68 C ATOM 848 O CYS A 74 9.815 -2.454 12.868 1.00 0.65 O ATOM 849 CB CYS A 74 9.979 -3.281 10.246 1.00 0.58 C ATOM 850 SG CYS A 74 10.700 -2.854 8.640 1.00 0.60 S ATOM 0 H CYS A 74 10.586 -5.703 11.036 1.00 0.81 H new ATOM 0 HA CYS A 74 11.991 -3.065 10.987 1.00 0.66 H new ATOM 0 HB2 CYS A 74 9.293 -4.121 10.137 1.00 0.58 H new ATOM 0 HB3 CYS A 74 9.398 -2.443 10.630 1.00 0.58 H new ATOM 855 N PHE A 75 11.193 -3.986 13.626 1.00 0.85 N ATOM 856 CA PHE A 75 10.796 -3.712 15.035 1.00 0.93 C ATOM 857 C PHE A 75 12.031 -3.762 15.937 1.00 0.92 C ATOM 858 O PHE A 75 13.130 -4.022 15.489 1.00 1.06 O ATOM 859 CB PHE A 75 9.786 -4.766 15.490 1.00 1.20 C ATOM 860 CG PHE A 75 8.570 -4.708 14.596 1.00 1.30 C ATOM 861 CD1 PHE A 75 7.775 -3.557 14.572 1.00 0.88 C ATOM 862 CD2 PHE A 75 8.239 -5.805 13.793 1.00 2.00 C ATOM 863 CE1 PHE A 75 6.648 -3.502 13.743 1.00 0.97 C ATOM 864 CE2 PHE A 75 7.111 -5.752 12.965 1.00 2.15 C ATOM 865 CZ PHE A 75 6.316 -4.600 12.939 1.00 1.57 C ATOM 0 H PHE A 75 11.896 -4.716 13.507 1.00 0.85 H new ATOM 0 HA PHE A 75 10.345 -2.722 15.100 1.00 0.93 H new ATOM 0 HB2 PHE A 75 10.235 -5.758 15.449 1.00 1.20 H new ATOM 0 HB3 PHE A 75 9.499 -4.588 16.526 1.00 1.20 H new ATOM 0 HD1 PHE A 75 8.031 -2.711 15.193 1.00 0.88 H new ATOM 0 HD2 PHE A 75 8.854 -6.693 13.812 1.00 2.00 H new ATOM 0 HE1 PHE A 75 6.035 -2.613 13.723 1.00 0.97 H new ATOM 0 HE2 PHE A 75 6.854 -6.600 12.347 1.00 2.15 H new ATOM 0 HZ PHE A 75 5.447 -4.558 12.299 1.00 1.57 H new ATOM 875 N GLN A 76 11.858 -3.510 17.206 1.00 1.02 N ATOM 876 CA GLN A 76 13.021 -3.538 18.138 1.00 1.03 C ATOM 877 C GLN A 76 13.401 -4.990 18.450 1.00 1.03 C ATOM 878 O GLN A 76 14.490 -5.270 18.909 1.00 1.20 O ATOM 879 CB GLN A 76 12.646 -2.817 19.434 1.00 1.14 C ATOM 880 CG GLN A 76 13.835 -2.837 20.396 1.00 1.68 C ATOM 881 CD GLN A 76 13.481 -2.046 21.656 1.00 2.08 C ATOM 882 OE1 GLN A 76 12.322 -1.900 21.991 1.00 2.36 O ATOM 883 NE2 GLN A 76 14.436 -1.524 22.375 1.00 2.61 N ATOM 0 H GLN A 76 10.961 -3.286 17.638 1.00 1.02 H new ATOM 0 HA GLN A 76 13.871 -3.038 17.673 1.00 1.03 H new ATOM 0 HB2 GLN A 76 12.357 -1.788 19.219 1.00 1.14 H new ATOM 0 HB3 GLN A 76 11.785 -3.301 19.895 1.00 1.14 H new ATOM 0 HG2 GLN A 76 14.088 -3.864 20.657 1.00 1.68 H new ATOM 0 HG3 GLN A 76 14.713 -2.404 19.916 1.00 1.68 H new ATOM 0 HE21 GLN A 76 15.409 -1.645 22.095 1.00 2.61 H new ATOM 0 HE22 GLN A 76 14.209 -0.994 23.217 1.00 2.61 H new ATOM 892 N SER A 77 12.514 -5.918 18.205 1.00 0.96 N ATOM 893 CA SER A 77 12.835 -7.346 18.489 1.00 1.04 C ATOM 894 C SER A 77 13.487 -7.980 17.258 1.00 0.96 C ATOM 895 O SER A 77 13.078 -9.027 16.796 1.00 1.43 O ATOM 896 CB SER A 77 11.549 -8.099 18.830 1.00 1.11 C ATOM 897 OG SER A 77 11.343 -8.064 20.237 1.00 1.39 O ATOM 0 H SER A 77 11.584 -5.749 17.822 1.00 0.96 H new ATOM 0 HA SER A 77 13.524 -7.402 19.332 1.00 1.04 H new ATOM 0 HB2 SER A 77 10.701 -7.646 18.315 1.00 1.11 H new ATOM 0 HB3 SER A 77 11.616 -9.131 18.486 1.00 1.11 H new ATOM 0 HG SER A 77 10.518 -8.545 20.459 1.00 1.39 H new ATOM 903 N GLY A 78 14.498 -7.353 16.721 1.00 0.54 N ATOM 904 CA GLY A 78 15.175 -7.918 15.520 1.00 0.44 C ATOM 905 C GLY A 78 15.180 -6.875 14.401 1.00 0.35 C ATOM 906 O GLY A 78 14.917 -7.179 13.254 1.00 0.24 O ATOM 0 H GLY A 78 14.884 -6.473 17.063 1.00 0.54 H new ATOM 0 HA2 GLY A 78 16.197 -8.207 15.767 1.00 0.44 H new ATOM 0 HA3 GLY A 78 14.660 -8.820 15.189 1.00 0.44 H new ATOM 910 N PHE A 79 15.475 -5.645 14.726 1.00 0.45 N ATOM 911 CA PHE A 79 15.495 -4.574 13.686 1.00 0.48 C ATOM 912 C PHE A 79 16.344 -5.018 12.490 1.00 0.19 C ATOM 913 O PHE A 79 17.159 -5.914 12.590 1.00 0.74 O ATOM 914 CB PHE A 79 16.092 -3.298 14.287 1.00 0.81 C ATOM 915 CG PHE A 79 16.138 -2.212 13.238 1.00 0.96 C ATOM 916 CD1 PHE A 79 14.956 -1.587 12.826 1.00 1.06 C ATOM 917 CD2 PHE A 79 17.363 -1.832 12.677 1.00 1.27 C ATOM 918 CE1 PHE A 79 14.999 -0.580 11.853 1.00 1.22 C ATOM 919 CE2 PHE A 79 17.407 -0.827 11.705 1.00 1.38 C ATOM 920 CZ PHE A 79 16.225 -0.200 11.293 1.00 1.25 C ATOM 0 H PHE A 79 15.704 -5.334 15.670 1.00 0.45 H new ATOM 0 HA PHE A 79 14.476 -4.384 13.348 1.00 0.48 H new ATOM 0 HB2 PHE A 79 15.493 -2.970 15.137 1.00 0.81 H new ATOM 0 HB3 PHE A 79 17.096 -3.497 14.662 1.00 0.81 H new ATOM 0 HD1 PHE A 79 14.011 -1.881 13.258 1.00 1.06 H new ATOM 0 HD2 PHE A 79 18.275 -2.315 12.995 1.00 1.27 H new ATOM 0 HE1 PHE A 79 14.087 -0.097 11.535 1.00 1.22 H new ATOM 0 HE2 PHE A 79 18.353 -0.535 11.273 1.00 1.38 H new ATOM 0 HZ PHE A 79 16.259 0.577 10.543 1.00 1.25 H new ATOM 930 N ASN A 80 16.157 -4.390 11.360 1.00 0.93 N ATOM 931 CA ASN A 80 16.948 -4.758 10.153 1.00 0.93 C ATOM 932 C ASN A 80 17.079 -3.529 9.251 1.00 1.04 C ATOM 933 O ASN A 80 16.774 -2.423 9.652 1.00 1.57 O ATOM 934 CB ASN A 80 16.236 -5.881 9.395 1.00 1.06 C ATOM 935 CG ASN A 80 17.067 -7.163 9.489 1.00 0.92 C ATOM 936 OD1 ASN A 80 18.236 -7.167 9.161 1.00 1.51 O ATOM 937 ND2 ASN A 80 16.508 -8.258 9.927 1.00 0.84 N ATOM 0 H ASN A 80 15.486 -3.634 11.222 1.00 0.93 H new ATOM 0 HA ASN A 80 17.938 -5.102 10.451 1.00 0.93 H new ATOM 0 HB2 ASN A 80 15.244 -6.046 9.815 1.00 1.06 H new ATOM 0 HB3 ASN A 80 16.098 -5.600 8.351 1.00 1.06 H new ATOM 0 HD21 ASN A 80 17.053 -9.117 9.994 1.00 0.84 H new ATOM 0 HD22 ASN A 80 15.526 -8.254 10.202 1.00 0.84 H new ATOM 944 N GLU A 81 17.533 -3.702 8.039 1.00 0.88 N ATOM 945 CA GLU A 81 17.678 -2.527 7.131 1.00 0.90 C ATOM 946 C GLU A 81 17.476 -2.958 5.677 1.00 1.01 C ATOM 947 O GLU A 81 16.560 -2.515 5.011 1.00 1.03 O ATOM 948 CB GLU A 81 19.078 -1.931 7.291 1.00 0.96 C ATOM 949 CG GLU A 81 19.275 -1.461 8.733 1.00 0.69 C ATOM 950 CD GLU A 81 20.542 -0.610 8.824 1.00 1.15 C ATOM 951 OE1 GLU A 81 20.773 0.173 7.916 1.00 1.95 O ATOM 952 OE2 GLU A 81 21.261 -0.755 9.798 1.00 0.89 O ATOM 0 H GLU A 81 17.808 -4.599 7.640 1.00 0.88 H new ATOM 0 HA GLU A 81 16.926 -1.782 7.391 1.00 0.90 H new ATOM 0 HB2 GLU A 81 19.832 -2.675 7.034 1.00 0.96 H new ATOM 0 HB3 GLU A 81 19.209 -1.095 6.604 1.00 0.96 H new ATOM 0 HG2 GLU A 81 18.411 -0.882 9.059 1.00 0.69 H new ATOM 0 HG3 GLU A 81 19.353 -2.320 9.399 1.00 0.69 H new ATOM 959 N GLU A 82 18.328 -3.809 5.173 1.00 1.09 N ATOM 960 CA GLU A 82 18.184 -4.251 3.758 1.00 1.20 C ATOM 961 C GLU A 82 17.058 -5.279 3.643 1.00 1.17 C ATOM 962 O GLU A 82 16.467 -5.442 2.596 1.00 1.19 O ATOM 963 CB GLU A 82 19.494 -4.878 3.278 1.00 1.44 C ATOM 964 CG GLU A 82 19.586 -4.751 1.757 1.00 1.84 C ATOM 965 CD GLU A 82 20.934 -5.290 1.276 1.00 2.85 C ATOM 966 OE1 GLU A 82 21.032 -6.489 1.074 1.00 2.87 O ATOM 967 OE2 GLU A 82 21.845 -4.495 1.118 1.00 3.88 O ATOM 0 H GLU A 82 19.115 -4.216 5.679 1.00 1.09 H new ATOM 0 HA GLU A 82 17.945 -3.386 3.140 1.00 1.20 H new ATOM 0 HB2 GLU A 82 20.342 -4.381 3.748 1.00 1.44 H new ATOM 0 HB3 GLU A 82 19.537 -5.927 3.570 1.00 1.44 H new ATOM 0 HG2 GLU A 82 18.773 -5.304 1.286 1.00 1.84 H new ATOM 0 HG3 GLU A 82 19.474 -3.708 1.462 1.00 1.84 H new ATOM 974 N THR A 83 16.747 -5.970 4.705 1.00 1.14 N ATOM 975 CA THR A 83 15.654 -6.975 4.630 1.00 1.18 C ATOM 976 C THR A 83 14.316 -6.268 4.820 1.00 0.92 C ATOM 977 O THR A 83 13.308 -6.666 4.272 1.00 0.84 O ATOM 978 CB THR A 83 15.834 -8.024 5.728 1.00 1.34 C ATOM 979 OG1 THR A 83 17.108 -8.637 5.588 1.00 1.57 O ATOM 980 CG2 THR A 83 14.740 -9.084 5.600 1.00 1.41 C ATOM 0 H THR A 83 17.200 -5.882 5.615 1.00 1.14 H new ATOM 0 HA THR A 83 15.681 -7.468 3.658 1.00 1.18 H new ATOM 0 HB THR A 83 15.765 -7.547 6.706 1.00 1.34 H new ATOM 0 HG1 THR A 83 17.227 -9.309 6.292 1.00 1.57 H new ATOM 0 HG21 THR A 83 14.866 -9.833 6.382 1.00 1.41 H new ATOM 0 HG22 THR A 83 13.763 -8.613 5.703 1.00 1.41 H new ATOM 0 HG23 THR A 83 14.810 -9.563 4.624 1.00 1.41 H new ATOM 988 N CYS A 84 14.299 -5.213 5.587 1.00 0.81 N ATOM 989 CA CYS A 84 13.024 -4.477 5.801 1.00 0.58 C ATOM 990 C CYS A 84 12.711 -3.653 4.555 1.00 0.45 C ATOM 991 O CYS A 84 11.569 -3.496 4.172 1.00 0.47 O ATOM 992 CB CYS A 84 13.157 -3.550 7.012 1.00 0.47 C ATOM 993 SG CYS A 84 12.179 -4.207 8.385 1.00 1.29 S ATOM 0 H CYS A 84 15.110 -4.831 6.073 1.00 0.81 H new ATOM 0 HA CYS A 84 12.218 -5.187 5.986 1.00 0.58 H new ATOM 0 HB2 CYS A 84 14.203 -3.465 7.305 1.00 0.47 H new ATOM 0 HB3 CYS A 84 12.815 -2.547 6.755 1.00 0.47 H new ATOM 998 N LEU A 85 13.722 -3.131 3.914 1.00 0.47 N ATOM 999 CA LEU A 85 13.488 -2.327 2.686 1.00 0.44 C ATOM 1000 C LEU A 85 13.063 -3.262 1.554 1.00 0.53 C ATOM 1001 O LEU A 85 12.114 -3.002 0.847 1.00 0.39 O ATOM 1002 CB LEU A 85 14.781 -1.605 2.298 1.00 0.65 C ATOM 1003 CG LEU A 85 14.484 -0.552 1.230 1.00 0.72 C ATOM 1004 CD1 LEU A 85 13.543 0.507 1.803 1.00 0.68 C ATOM 1005 CD2 LEU A 85 15.793 0.111 0.794 1.00 1.05 C ATOM 0 H LEU A 85 14.699 -3.228 4.190 1.00 0.47 H new ATOM 0 HA LEU A 85 12.705 -1.591 2.867 1.00 0.44 H new ATOM 0 HB2 LEU A 85 15.222 -1.132 3.176 1.00 0.65 H new ATOM 0 HB3 LEU A 85 15.510 -2.322 1.922 1.00 0.65 H new ATOM 0 HG LEU A 85 14.012 -1.028 0.371 1.00 0.72 H new ATOM 0 HD11 LEU A 85 13.332 1.257 1.041 1.00 0.68 H new ATOM 0 HD12 LEU A 85 12.611 0.035 2.115 1.00 0.68 H new ATOM 0 HD13 LEU A 85 14.013 0.985 2.662 1.00 0.68 H new ATOM 0 HD21 LEU A 85 15.584 0.862 0.032 1.00 1.05 H new ATOM 0 HD22 LEU A 85 16.264 0.587 1.654 1.00 1.05 H new ATOM 0 HD23 LEU A 85 16.464 -0.644 0.385 1.00 1.05 H new ATOM 1017 N VAL A 86 13.756 -4.355 1.386 1.00 0.83 N ATOM 1018 CA VAL A 86 13.394 -5.319 0.307 1.00 0.92 C ATOM 1019 C VAL A 86 11.961 -5.819 0.528 1.00 0.70 C ATOM 1020 O VAL A 86 11.194 -5.960 -0.401 1.00 0.54 O ATOM 1021 CB VAL A 86 14.354 -6.511 0.362 1.00 1.28 C ATOM 1022 CG1 VAL A 86 13.959 -7.544 -0.696 1.00 1.61 C ATOM 1023 CG2 VAL A 86 15.780 -6.030 0.090 1.00 1.46 C ATOM 0 H VAL A 86 14.561 -4.623 1.952 1.00 0.83 H new ATOM 0 HA VAL A 86 13.464 -4.827 -0.663 1.00 0.92 H new ATOM 0 HB VAL A 86 14.302 -6.967 1.350 1.00 1.28 H new ATOM 0 HG11 VAL A 86 14.645 -8.390 -0.653 1.00 1.61 H new ATOM 0 HG12 VAL A 86 12.943 -7.890 -0.505 1.00 1.61 H new ATOM 0 HG13 VAL A 86 14.007 -7.088 -1.685 1.00 1.61 H new ATOM 0 HG21 VAL A 86 16.464 -6.878 0.129 1.00 1.46 H new ATOM 0 HG22 VAL A 86 15.827 -5.571 -0.898 1.00 1.46 H new ATOM 0 HG23 VAL A 86 16.067 -5.298 0.844 1.00 1.46 H new ATOM 1033 N LYS A 87 11.598 -6.102 1.750 1.00 0.78 N ATOM 1034 CA LYS A 87 10.218 -6.604 2.011 1.00 0.81 C ATOM 1035 C LYS A 87 9.199 -5.528 1.637 1.00 0.56 C ATOM 1036 O LYS A 87 8.190 -5.809 1.024 1.00 0.81 O ATOM 1037 CB LYS A 87 10.065 -6.966 3.490 1.00 1.05 C ATOM 1038 CG LYS A 87 8.843 -7.871 3.670 1.00 0.28 C ATOM 1039 CD LYS A 87 9.008 -9.136 2.821 1.00 0.88 C ATOM 1040 CE LYS A 87 8.798 -10.371 3.700 1.00 0.98 C ATOM 1041 NZ LYS A 87 9.178 -11.595 2.937 1.00 1.66 N ATOM 0 H LYS A 87 12.192 -6.008 2.574 1.00 0.78 H new ATOM 0 HA LYS A 87 10.043 -7.494 1.406 1.00 0.81 H new ATOM 0 HB2 LYS A 87 10.962 -7.473 3.846 1.00 1.05 H new ATOM 0 HB3 LYS A 87 9.952 -6.061 4.087 1.00 1.05 H new ATOM 0 HG2 LYS A 87 8.728 -8.139 4.720 1.00 0.28 H new ATOM 0 HG3 LYS A 87 7.938 -7.339 3.376 1.00 0.28 H new ATOM 0 HD2 LYS A 87 8.289 -9.133 2.001 1.00 0.88 H new ATOM 0 HD3 LYS A 87 10.002 -9.160 2.374 1.00 0.88 H new ATOM 0 HE2 LYS A 87 9.400 -10.293 4.606 1.00 0.98 H new ATOM 0 HE3 LYS A 87 7.756 -10.434 4.014 1.00 0.98 H new ATOM 0 HZ1 LYS A 87 9.035 -12.435 3.534 1.00 1.66 H new ATOM 0 HZ2 LYS A 87 8.586 -11.671 2.085 1.00 1.66 H new ATOM 0 HZ3 LYS A 87 10.178 -11.534 2.659 1.00 1.66 H new ATOM 1055 N ILE A 88 9.457 -4.296 1.980 1.00 0.33 N ATOM 1056 CA ILE A 88 8.497 -3.215 1.608 1.00 0.58 C ATOM 1057 C ILE A 88 8.650 -2.918 0.109 1.00 0.42 C ATOM 1058 O ILE A 88 7.817 -2.274 -0.496 1.00 0.43 O ATOM 1059 CB ILE A 88 8.779 -1.951 2.437 1.00 1.06 C ATOM 1060 CG1 ILE A 88 8.358 -2.205 3.894 1.00 1.43 C ATOM 1061 CG2 ILE A 88 7.981 -0.768 1.867 1.00 1.39 C ATOM 1062 CD1 ILE A 88 8.419 -0.899 4.698 1.00 0.94 C ATOM 0 H ILE A 88 10.282 -3.991 2.497 1.00 0.33 H new ATOM 0 HA ILE A 88 7.476 -3.536 1.815 1.00 0.58 H new ATOM 0 HB ILE A 88 9.842 -1.714 2.396 1.00 1.06 H new ATOM 0 HG12 ILE A 88 7.347 -2.611 3.923 1.00 1.43 H new ATOM 0 HG13 ILE A 88 9.014 -2.950 4.345 1.00 1.43 H new ATOM 0 HG21 ILE A 88 8.184 0.126 2.457 1.00 1.39 H new ATOM 0 HG22 ILE A 88 8.277 -0.594 0.832 1.00 1.39 H new ATOM 0 HG23 ILE A 88 6.916 -0.995 1.906 1.00 1.39 H new ATOM 0 HD11 ILE A 88 8.119 -1.091 5.728 1.00 0.94 H new ATOM 0 HD12 ILE A 88 9.437 -0.510 4.683 1.00 0.94 H new ATOM 0 HD13 ILE A 88 7.744 -0.167 4.254 1.00 0.94 H new ATOM 1074 N ILE A 89 9.706 -3.397 -0.492 1.00 0.41 N ATOM 1075 CA ILE A 89 9.922 -3.169 -1.943 1.00 0.57 C ATOM 1076 C ILE A 89 8.997 -4.124 -2.709 1.00 0.47 C ATOM 1077 O ILE A 89 7.995 -3.721 -3.268 1.00 0.52 O ATOM 1078 CB ILE A 89 11.412 -3.441 -2.234 1.00 0.86 C ATOM 1079 CG1 ILE A 89 12.217 -2.169 -1.929 1.00 1.01 C ATOM 1080 CG2 ILE A 89 11.657 -3.856 -3.690 1.00 0.78 C ATOM 1081 CD1 ILE A 89 11.886 -1.081 -2.956 1.00 2.30 C ATOM 0 H ILE A 89 10.434 -3.942 -0.031 1.00 0.41 H new ATOM 0 HA ILE A 89 9.689 -2.150 -2.253 1.00 0.57 H new ATOM 0 HB ILE A 89 11.730 -4.269 -1.600 1.00 0.86 H new ATOM 0 HG12 ILE A 89 11.986 -1.815 -0.924 1.00 1.01 H new ATOM 0 HG13 ILE A 89 13.284 -2.390 -1.952 1.00 1.01 H new ATOM 0 HG21 ILE A 89 12.721 -4.036 -3.843 1.00 0.78 H new ATOM 0 HG22 ILE A 89 11.100 -4.767 -3.907 1.00 0.78 H new ATOM 0 HG23 ILE A 89 11.324 -3.060 -4.356 1.00 0.78 H new ATOM 0 HD11 ILE A 89 12.461 -0.182 -2.732 1.00 2.30 H new ATOM 0 HD12 ILE A 89 12.140 -1.435 -3.955 1.00 2.30 H new ATOM 0 HD13 ILE A 89 10.822 -0.851 -2.912 1.00 2.30 H new ATOM 1093 N THR A 90 9.315 -5.387 -2.722 1.00 0.70 N ATOM 1094 CA THR A 90 8.440 -6.359 -3.428 1.00 0.99 C ATOM 1095 C THR A 90 7.039 -6.282 -2.815 1.00 0.87 C ATOM 1096 O THR A 90 6.050 -6.580 -3.454 1.00 1.01 O ATOM 1097 CB THR A 90 9.007 -7.772 -3.258 1.00 1.41 C ATOM 1098 OG1 THR A 90 8.223 -8.687 -4.012 1.00 1.97 O ATOM 1099 CG2 THR A 90 8.982 -8.169 -1.780 1.00 0.80 C ATOM 0 H THR A 90 10.140 -5.787 -2.276 1.00 0.70 H new ATOM 0 HA THR A 90 8.393 -6.124 -4.491 1.00 0.99 H new ATOM 0 HB THR A 90 10.037 -7.793 -3.614 1.00 1.41 H new ATOM 0 HG1 THR A 90 8.584 -9.592 -3.906 1.00 1.97 H new ATOM 0 HG21 THR A 90 9.387 -9.175 -1.667 1.00 0.80 H new ATOM 0 HG22 THR A 90 9.586 -7.468 -1.205 1.00 0.80 H new ATOM 0 HG23 THR A 90 7.955 -8.148 -1.415 1.00 0.80 H new ATOM 1107 N GLY A 91 6.955 -5.869 -1.576 1.00 0.80 N ATOM 1108 CA GLY A 91 5.628 -5.753 -0.910 1.00 0.98 C ATOM 1109 C GLY A 91 4.855 -4.604 -1.553 1.00 0.83 C ATOM 1110 O GLY A 91 3.662 -4.682 -1.748 1.00 1.08 O ATOM 0 H GLY A 91 7.753 -5.607 -0.997 1.00 0.80 H new ATOM 0 HA2 GLY A 91 5.072 -6.685 -1.011 1.00 0.98 H new ATOM 0 HA3 GLY A 91 5.756 -5.572 0.157 1.00 0.98 H new ATOM 1114 N LEU A 92 5.535 -3.541 -1.891 1.00 0.56 N ATOM 1115 CA LEU A 92 4.848 -2.388 -2.538 1.00 0.60 C ATOM 1116 C LEU A 92 4.370 -2.818 -3.927 1.00 0.50 C ATOM 1117 O LEU A 92 3.392 -2.316 -4.435 1.00 0.63 O ATOM 1118 CB LEU A 92 5.826 -1.218 -2.671 1.00 0.59 C ATOM 1119 CG LEU A 92 5.360 -0.056 -1.789 1.00 0.67 C ATOM 1120 CD1 LEU A 92 6.485 0.972 -1.658 1.00 0.93 C ATOM 1121 CD2 LEU A 92 4.138 0.607 -2.428 1.00 0.91 C ATOM 0 H LEU A 92 6.538 -3.422 -1.746 1.00 0.56 H new ATOM 0 HA LEU A 92 3.997 -2.074 -1.933 1.00 0.60 H new ATOM 0 HB2 LEU A 92 6.827 -1.533 -2.376 1.00 0.59 H new ATOM 0 HB3 LEU A 92 5.886 -0.897 -3.711 1.00 0.59 H new ATOM 0 HG LEU A 92 5.097 -0.433 -0.801 1.00 0.67 H new ATOM 0 HD11 LEU A 92 6.152 1.798 -1.030 1.00 0.93 H new ATOM 0 HD12 LEU A 92 7.357 0.501 -1.205 1.00 0.93 H new ATOM 0 HD13 LEU A 92 6.749 1.350 -2.646 1.00 0.93 H new ATOM 0 HD21 LEU A 92 3.804 1.435 -1.802 1.00 0.91 H new ATOM 0 HD22 LEU A 92 4.403 0.983 -3.416 1.00 0.91 H new ATOM 0 HD23 LEU A 92 3.335 -0.124 -2.522 1.00 0.91 H new ATOM 1133 N LEU A 93 5.050 -3.758 -4.542 1.00 0.32 N ATOM 1134 CA LEU A 93 4.623 -4.236 -5.891 1.00 0.26 C ATOM 1135 C LEU A 93 3.210 -4.829 -5.766 1.00 0.28 C ATOM 1136 O LEU A 93 2.308 -4.533 -6.544 1.00 0.30 O ATOM 1137 CB LEU A 93 5.606 -5.313 -6.373 1.00 0.24 C ATOM 1138 CG LEU A 93 6.706 -4.668 -7.224 1.00 0.52 C ATOM 1139 CD1 LEU A 93 8.088 -5.139 -6.753 1.00 0.82 C ATOM 1140 CD2 LEU A 93 6.510 -5.074 -8.682 1.00 0.96 C ATOM 0 H LEU A 93 5.882 -4.213 -4.166 1.00 0.32 H new ATOM 0 HA LEU A 93 4.616 -3.416 -6.609 1.00 0.26 H new ATOM 0 HB2 LEU A 93 6.048 -5.824 -5.518 1.00 0.24 H new ATOM 0 HB3 LEU A 93 5.077 -6.067 -6.956 1.00 0.24 H new ATOM 0 HG LEU A 93 6.646 -3.584 -7.122 1.00 0.52 H new ATOM 0 HD11 LEU A 93 8.860 -4.673 -7.366 1.00 0.82 H new ATOM 0 HD12 LEU A 93 8.233 -4.856 -5.710 1.00 0.82 H new ATOM 0 HD13 LEU A 93 8.155 -6.223 -6.847 1.00 0.82 H new ATOM 0 HD21 LEU A 93 7.289 -4.619 -9.294 1.00 0.96 H new ATOM 0 HD22 LEU A 93 6.568 -6.159 -8.768 1.00 0.96 H new ATOM 0 HD23 LEU A 93 5.533 -4.734 -9.026 1.00 0.96 H new ATOM 1152 N GLU A 94 3.002 -5.645 -4.767 1.00 0.29 N ATOM 1153 CA GLU A 94 1.653 -6.228 -4.555 1.00 0.33 C ATOM 1154 C GLU A 94 0.703 -5.073 -4.258 1.00 0.32 C ATOM 1155 O GLU A 94 -0.390 -4.988 -4.778 1.00 0.33 O ATOM 1156 CB GLU A 94 1.692 -7.186 -3.362 1.00 0.36 C ATOM 1157 CG GLU A 94 1.752 -8.630 -3.864 1.00 0.45 C ATOM 1158 CD GLU A 94 0.770 -9.489 -3.065 1.00 0.62 C ATOM 1159 OE1 GLU A 94 0.572 -9.195 -1.897 1.00 1.22 O ATOM 1160 OE2 GLU A 94 0.233 -10.426 -3.633 1.00 0.94 O ATOM 0 H GLU A 94 3.710 -5.931 -4.091 1.00 0.29 H new ATOM 0 HA GLU A 94 1.324 -6.782 -5.434 1.00 0.33 H new ATOM 0 HB2 GLU A 94 2.560 -6.971 -2.738 1.00 0.36 H new ATOM 0 HB3 GLU A 94 0.809 -7.043 -2.739 1.00 0.36 H new ATOM 0 HG2 GLU A 94 1.505 -8.668 -4.925 1.00 0.45 H new ATOM 0 HG3 GLU A 94 2.764 -9.021 -3.758 1.00 0.45 H new ATOM 1167 N PHE A 95 1.142 -4.155 -3.445 1.00 0.33 N ATOM 1168 CA PHE A 95 0.307 -2.972 -3.126 1.00 0.35 C ATOM 1169 C PHE A 95 -0.029 -2.260 -4.432 1.00 0.34 C ATOM 1170 O PHE A 95 -1.028 -1.582 -4.546 1.00 0.32 O ATOM 1171 CB PHE A 95 1.107 -2.037 -2.224 1.00 0.40 C ATOM 1172 CG PHE A 95 0.742 -2.303 -0.788 1.00 0.42 C ATOM 1173 CD1 PHE A 95 -0.597 -2.264 -0.389 1.00 1.00 C ATOM 1174 CD2 PHE A 95 1.743 -2.599 0.141 1.00 1.34 C ATOM 1175 CE1 PHE A 95 -0.936 -2.520 0.943 1.00 1.08 C ATOM 1176 CE2 PHE A 95 1.407 -2.857 1.471 1.00 1.34 C ATOM 1177 CZ PHE A 95 0.067 -2.817 1.875 1.00 0.58 C ATOM 0 H PHE A 95 2.052 -4.176 -2.985 1.00 0.33 H new ATOM 0 HA PHE A 95 -0.610 -3.270 -2.618 1.00 0.35 H new ATOM 0 HB2 PHE A 95 2.175 -2.192 -2.375 1.00 0.40 H new ATOM 0 HB3 PHE A 95 0.897 -0.998 -2.479 1.00 0.40 H new ATOM 0 HD1 PHE A 95 -1.369 -2.036 -1.109 1.00 1.00 H new ATOM 0 HD2 PHE A 95 2.777 -2.628 -0.170 1.00 1.34 H new ATOM 0 HE1 PHE A 95 -1.970 -2.489 1.253 1.00 1.08 H new ATOM 0 HE2 PHE A 95 2.181 -3.087 2.188 1.00 1.34 H new ATOM 0 HZ PHE A 95 -0.193 -3.015 2.904 1.00 0.58 H new ATOM 1187 N GLU A 96 0.804 -2.431 -5.422 1.00 0.37 N ATOM 1188 CA GLU A 96 0.553 -1.795 -6.737 1.00 0.37 C ATOM 1189 C GLU A 96 -0.721 -2.390 -7.321 1.00 0.39 C ATOM 1190 O GLU A 96 -1.560 -1.682 -7.831 1.00 0.39 O ATOM 1191 CB GLU A 96 1.733 -2.069 -7.667 1.00 0.40 C ATOM 1192 CG GLU A 96 1.772 -1.017 -8.776 1.00 0.29 C ATOM 1193 CD GLU A 96 0.531 -1.158 -9.658 1.00 1.16 C ATOM 1194 OE1 GLU A 96 0.329 -2.236 -10.193 1.00 1.51 O ATOM 1195 OE2 GLU A 96 -0.196 -0.186 -9.784 1.00 1.80 O ATOM 0 H GLU A 96 1.655 -2.991 -5.371 1.00 0.37 H new ATOM 0 HA GLU A 96 0.439 -0.717 -6.623 1.00 0.37 H new ATOM 0 HB2 GLU A 96 2.665 -2.050 -7.102 1.00 0.40 H new ATOM 0 HB3 GLU A 96 1.643 -3.065 -8.101 1.00 0.40 H new ATOM 0 HG2 GLU A 96 1.811 -0.018 -8.342 1.00 0.29 H new ATOM 0 HG3 GLU A 96 2.673 -1.140 -9.376 1.00 0.29 H new ATOM 1202 N VAL A 97 -0.884 -3.689 -7.244 1.00 0.41 N ATOM 1203 CA VAL A 97 -2.143 -4.292 -7.792 1.00 0.44 C ATOM 1204 C VAL A 97 -3.341 -3.686 -7.040 1.00 0.36 C ATOM 1205 O VAL A 97 -4.334 -3.297 -7.629 1.00 0.29 O ATOM 1206 CB VAL A 97 -2.119 -5.836 -7.648 1.00 0.51 C ATOM 1207 CG1 VAL A 97 -2.719 -6.296 -6.308 1.00 0.58 C ATOM 1208 CG2 VAL A 97 -2.939 -6.451 -8.784 1.00 0.51 C ATOM 0 H VAL A 97 -0.218 -4.346 -6.836 1.00 0.41 H new ATOM 0 HA VAL A 97 -2.229 -4.068 -8.855 1.00 0.44 H new ATOM 0 HB VAL A 97 -1.079 -6.161 -7.687 1.00 0.51 H new ATOM 0 HG11 VAL A 97 -2.683 -7.384 -6.247 1.00 0.58 H new ATOM 0 HG12 VAL A 97 -2.145 -5.868 -5.486 1.00 0.58 H new ATOM 0 HG13 VAL A 97 -3.755 -5.963 -6.240 1.00 0.58 H new ATOM 0 HG21 VAL A 97 -2.929 -7.537 -8.693 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -3.966 -6.091 -8.727 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -2.506 -6.163 -9.742 1.00 0.51 H new ATOM 1218 N TYR A 98 -3.245 -3.594 -5.738 1.00 0.41 N ATOM 1219 CA TYR A 98 -4.365 -3.003 -4.951 1.00 0.36 C ATOM 1220 C TYR A 98 -4.525 -1.536 -5.356 1.00 0.34 C ATOM 1221 O TYR A 98 -5.587 -0.951 -5.240 1.00 0.31 O ATOM 1222 CB TYR A 98 -4.042 -3.085 -3.456 1.00 0.32 C ATOM 1223 CG TYR A 98 -4.103 -4.523 -2.995 1.00 0.40 C ATOM 1224 CD1 TYR A 98 -5.331 -5.194 -2.943 1.00 0.40 C ATOM 1225 CD2 TYR A 98 -2.929 -5.182 -2.613 1.00 0.51 C ATOM 1226 CE1 TYR A 98 -5.383 -6.524 -2.509 1.00 0.52 C ATOM 1227 CE2 TYR A 98 -2.981 -6.512 -2.180 1.00 0.62 C ATOM 1228 CZ TYR A 98 -4.208 -7.183 -2.127 1.00 0.63 C ATOM 1229 OH TYR A 98 -4.259 -8.494 -1.697 1.00 0.75 O ATOM 0 H TYR A 98 -2.442 -3.902 -5.189 1.00 0.41 H new ATOM 0 HA TYR A 98 -5.287 -3.550 -5.148 1.00 0.36 H new ATOM 0 HB2 TYR A 98 -3.050 -2.675 -3.266 1.00 0.32 H new ATOM 0 HB3 TYR A 98 -4.750 -2.482 -2.888 1.00 0.32 H new ATOM 0 HD1 TYR A 98 -6.237 -4.686 -3.237 1.00 0.40 H new ATOM 0 HD2 TYR A 98 -1.982 -4.664 -2.652 1.00 0.51 H new ATOM 0 HE1 TYR A 98 -6.330 -7.042 -2.469 1.00 0.52 H new ATOM 0 HE2 TYR A 98 -2.074 -7.020 -1.887 1.00 0.62 H new ATOM 0 HH TYR A 98 -3.356 -8.800 -1.471 1.00 0.75 H new ATOM 1239 N LEU A 99 -3.474 -0.943 -5.852 1.00 0.36 N ATOM 1240 CA LEU A 99 -3.549 0.471 -6.286 1.00 0.36 C ATOM 1241 C LEU A 99 -4.275 0.503 -7.619 1.00 0.36 C ATOM 1242 O LEU A 99 -4.994 1.431 -7.931 1.00 0.35 O ATOM 1243 CB LEU A 99 -2.138 1.035 -6.418 1.00 0.43 C ATOM 1244 CG LEU A 99 -1.546 1.192 -5.018 1.00 0.49 C ATOM 1245 CD1 LEU A 99 -0.021 1.121 -5.082 1.00 0.83 C ATOM 1246 CD2 LEU A 99 -1.972 2.542 -4.443 1.00 0.34 C ATOM 0 H LEU A 99 -2.563 -1.385 -5.974 1.00 0.36 H new ATOM 0 HA LEU A 99 -4.087 1.081 -5.560 1.00 0.36 H new ATOM 0 HB2 LEU A 99 -1.519 0.369 -7.019 1.00 0.43 H new ATOM 0 HB3 LEU A 99 -2.161 1.997 -6.930 1.00 0.43 H new ATOM 0 HG LEU A 99 -1.910 0.387 -4.380 1.00 0.49 H new ATOM 0 HD11 LEU A 99 0.391 1.234 -4.079 1.00 0.83 H new ATOM 0 HD12 LEU A 99 0.281 0.157 -5.492 1.00 0.83 H new ATOM 0 HD13 LEU A 99 0.354 1.921 -5.720 1.00 0.83 H new ATOM 0 HD21 LEU A 99 -1.553 2.660 -3.444 1.00 0.34 H new ATOM 0 HD22 LEU A 99 -1.608 3.343 -5.087 1.00 0.34 H new ATOM 0 HD23 LEU A 99 -3.060 2.587 -4.388 1.00 0.34 H new ATOM 1258 N GLU A 100 -4.154 -0.554 -8.379 1.00 0.37 N ATOM 1259 CA GLU A 100 -4.895 -0.642 -9.655 1.00 0.38 C ATOM 1260 C GLU A 100 -6.369 -0.575 -9.276 1.00 0.32 C ATOM 1261 O GLU A 100 -7.192 -0.011 -9.969 1.00 0.34 O ATOM 1262 CB GLU A 100 -4.591 -1.988 -10.322 1.00 0.38 C ATOM 1263 CG GLU A 100 -4.534 -1.816 -11.840 1.00 0.42 C ATOM 1264 CD GLU A 100 -5.867 -1.259 -12.344 1.00 0.35 C ATOM 1265 OE1 GLU A 100 -6.889 -1.833 -12.010 1.00 1.08 O ATOM 1266 OE2 GLU A 100 -5.841 -0.268 -13.055 1.00 0.10 O ATOM 0 H GLU A 100 -3.568 -1.361 -8.162 1.00 0.37 H new ATOM 0 HA GLU A 100 -4.620 0.152 -10.349 1.00 0.38 H new ATOM 0 HB2 GLU A 100 -3.642 -2.379 -9.956 1.00 0.38 H new ATOM 0 HB3 GLU A 100 -5.358 -2.716 -10.058 1.00 0.38 H new ATOM 0 HG2 GLU A 100 -3.721 -1.141 -12.109 1.00 0.42 H new ATOM 0 HG3 GLU A 100 -4.325 -2.774 -12.317 1.00 0.42 H new ATOM 1273 N TYR A 101 -6.678 -1.133 -8.134 1.00 0.25 N ATOM 1274 CA TYR A 101 -8.064 -1.104 -7.622 1.00 0.21 C ATOM 1275 C TYR A 101 -8.488 0.344 -7.442 1.00 0.22 C ATOM 1276 O TYR A 101 -9.528 0.766 -7.907 1.00 0.25 O ATOM 1277 CB TYR A 101 -8.097 -1.817 -6.265 1.00 0.18 C ATOM 1278 CG TYR A 101 -9.351 -2.644 -6.140 1.00 0.08 C ATOM 1279 CD1 TYR A 101 -9.785 -3.425 -7.216 1.00 0.32 C ATOM 1280 CD2 TYR A 101 -10.078 -2.631 -4.945 1.00 0.15 C ATOM 1281 CE1 TYR A 101 -10.949 -4.190 -7.104 1.00 0.45 C ATOM 1282 CE2 TYR A 101 -11.242 -3.399 -4.832 1.00 0.12 C ATOM 1283 CZ TYR A 101 -11.678 -4.177 -5.910 1.00 0.31 C ATOM 1284 OH TYR A 101 -12.828 -4.931 -5.797 1.00 0.46 O ATOM 0 H TYR A 101 -6.011 -1.614 -7.531 1.00 0.25 H new ATOM 0 HA TYR A 101 -8.740 -1.600 -8.319 1.00 0.21 H new ATOM 0 HB2 TYR A 101 -7.220 -2.456 -6.161 1.00 0.18 H new ATOM 0 HB3 TYR A 101 -8.055 -1.084 -5.460 1.00 0.18 H new ATOM 0 HD1 TYR A 101 -9.219 -3.437 -8.136 1.00 0.32 H new ATOM 0 HD2 TYR A 101 -9.742 -2.030 -4.113 1.00 0.15 H new ATOM 0 HE1 TYR A 101 -11.285 -4.790 -7.937 1.00 0.45 H new ATOM 0 HE2 TYR A 101 -11.805 -3.391 -3.911 1.00 0.12 H new ATOM 0 HH TYR A 101 -12.874 -5.325 -4.901 1.00 0.46 H new ATOM 1294 N LEU A 102 -7.690 1.100 -6.753 1.00 0.23 N ATOM 1295 CA LEU A 102 -8.034 2.526 -6.510 1.00 0.24 C ATOM 1296 C LEU A 102 -7.436 3.405 -7.612 1.00 0.33 C ATOM 1297 O LEU A 102 -7.364 4.610 -7.481 1.00 0.42 O ATOM 1298 CB LEU A 102 -7.473 2.948 -5.150 1.00 0.21 C ATOM 1299 CG LEU A 102 -7.750 1.853 -4.114 1.00 0.17 C ATOM 1300 CD1 LEU A 102 -6.494 1.614 -3.278 1.00 0.21 C ATOM 1301 CD2 LEU A 102 -8.901 2.288 -3.212 1.00 0.17 C ATOM 0 H LEU A 102 -6.808 0.792 -6.344 1.00 0.23 H new ATOM 0 HA LEU A 102 -9.117 2.646 -6.516 1.00 0.24 H new ATOM 0 HB2 LEU A 102 -6.400 3.126 -5.228 1.00 0.21 H new ATOM 0 HB3 LEU A 102 -7.929 3.886 -4.833 1.00 0.21 H new ATOM 0 HG LEU A 102 -8.023 0.928 -4.622 1.00 0.17 H new ATOM 0 HD11 LEU A 102 -6.690 0.835 -2.541 1.00 0.21 H new ATOM 0 HD12 LEU A 102 -5.678 1.300 -3.929 1.00 0.21 H new ATOM 0 HD13 LEU A 102 -6.216 2.536 -2.767 1.00 0.21 H new ATOM 0 HD21 LEU A 102 -9.099 1.510 -2.475 1.00 0.17 H new ATOM 0 HD22 LEU A 102 -8.633 3.213 -2.701 1.00 0.17 H new ATOM 0 HD23 LEU A 102 -9.794 2.452 -3.815 1.00 0.17 H new ATOM 1313 N GLN A 103 -7.008 2.820 -8.697 1.00 0.32 N ATOM 1314 CA GLN A 103 -6.420 3.639 -9.794 1.00 0.41 C ATOM 1315 C GLN A 103 -7.540 4.150 -10.702 1.00 0.35 C ATOM 1316 O GLN A 103 -7.447 5.213 -11.285 1.00 0.42 O ATOM 1317 CB GLN A 103 -5.455 2.780 -10.615 1.00 0.43 C ATOM 1318 CG GLN A 103 -4.603 3.682 -11.509 1.00 0.58 C ATOM 1319 CD GLN A 103 -4.025 2.860 -12.662 1.00 0.77 C ATOM 1320 OE1 GLN A 103 -4.444 1.743 -12.896 1.00 1.21 O ATOM 1321 NE2 GLN A 103 -3.073 3.367 -13.396 1.00 1.27 N ATOM 0 H GLN A 103 -7.040 1.815 -8.871 1.00 0.32 H new ATOM 0 HA GLN A 103 -5.880 4.484 -9.366 1.00 0.41 H new ATOM 0 HB2 GLN A 103 -4.815 2.198 -9.952 1.00 0.43 H new ATOM 0 HB3 GLN A 103 -6.013 2.069 -11.224 1.00 0.43 H new ATOM 0 HG2 GLN A 103 -5.208 4.500 -11.900 1.00 0.58 H new ATOM 0 HG3 GLN A 103 -3.797 4.130 -10.928 1.00 0.58 H new ATOM 0 HE21 GLN A 103 -2.722 4.304 -13.199 1.00 1.27 H new ATOM 0 HE22 GLN A 103 -2.680 2.826 -14.166 1.00 1.27 H new ATOM 1330 N ASN A 104 -8.597 3.395 -10.831 1.00 0.44 N ATOM 1331 CA ASN A 104 -9.725 3.827 -11.707 1.00 0.40 C ATOM 1332 C ASN A 104 -11.023 3.892 -10.896 1.00 0.39 C ATOM 1333 O ASN A 104 -11.957 4.581 -11.257 1.00 0.42 O ATOM 1334 CB ASN A 104 -9.891 2.824 -12.850 1.00 0.32 C ATOM 1335 CG ASN A 104 -10.441 3.542 -14.083 1.00 0.27 C ATOM 1336 OD1 ASN A 104 -11.040 4.593 -13.970 1.00 0.87 O ATOM 1337 ND2 ASN A 104 -10.265 3.016 -15.263 1.00 0.87 N ATOM 0 H ASN A 104 -8.729 2.496 -10.367 1.00 0.44 H new ATOM 0 HA ASN A 104 -9.506 4.815 -12.111 1.00 0.40 H new ATOM 0 HB2 ASN A 104 -8.932 2.361 -13.083 1.00 0.32 H new ATOM 0 HB3 ASN A 104 -10.567 2.024 -12.550 1.00 0.32 H new ATOM 0 HD21 ASN A 104 -10.630 3.487 -16.091 1.00 0.87 H new ATOM 0 HD22 ASN A 104 -9.762 2.134 -15.358 1.00 0.87 H new ATOM 1344 N ARG A 105 -11.093 3.181 -9.801 1.00 0.36 N ATOM 1345 CA ARG A 105 -12.331 3.204 -8.972 1.00 0.38 C ATOM 1346 C ARG A 105 -12.683 4.648 -8.617 1.00 0.46 C ATOM 1347 O ARG A 105 -13.816 4.964 -8.315 1.00 0.45 O ATOM 1348 CB ARG A 105 -12.093 2.412 -7.686 1.00 0.47 C ATOM 1349 CG ARG A 105 -12.749 1.037 -7.804 1.00 0.67 C ATOM 1350 CD ARG A 105 -13.358 0.650 -6.456 1.00 0.99 C ATOM 1351 NE ARG A 105 -14.582 -0.170 -6.680 1.00 1.05 N ATOM 1352 CZ ARG A 105 -15.568 0.309 -7.388 1.00 0.50 C ATOM 1353 NH1 ARG A 105 -16.322 1.256 -6.899 1.00 0.65 N ATOM 1354 NH2 ARG A 105 -15.800 -0.160 -8.583 1.00 1.67 N ATOM 0 H ARG A 105 -10.345 2.585 -9.446 1.00 0.36 H new ATOM 0 HA ARG A 105 -13.152 2.757 -9.533 1.00 0.38 H new ATOM 0 HB2 ARG A 105 -11.023 2.302 -7.507 1.00 0.47 H new ATOM 0 HB3 ARG A 105 -12.505 2.951 -6.833 1.00 0.47 H new ATOM 0 HG2 ARG A 105 -13.521 1.055 -8.573 1.00 0.67 H new ATOM 0 HG3 ARG A 105 -12.012 0.295 -8.109 1.00 0.67 H new ATOM 0 HD2 ARG A 105 -12.634 0.088 -5.866 1.00 0.99 H new ATOM 0 HD3 ARG A 105 -13.607 1.546 -5.887 1.00 0.99 H new ATOM 0 HE ARG A 105 -14.649 -1.106 -6.280 1.00 1.05 H new ATOM 0 HH11 ARG A 105 -16.140 1.621 -5.964 1.00 0.65 H new ATOM 0 HH12 ARG A 105 -17.093 1.631 -7.452 1.00 0.65 H new ATOM 0 HH21 ARG A 105 -15.211 -0.901 -8.963 1.00 1.67 H new ATOM 0 HH22 ARG A 105 -16.571 0.214 -9.137 1.00 1.67 H new ATOM 1368 N PHE A 106 -11.719 5.526 -8.646 1.00 0.60 N ATOM 1369 CA PHE A 106 -11.998 6.947 -8.305 1.00 0.73 C ATOM 1370 C PHE A 106 -12.291 7.736 -9.585 1.00 0.86 C ATOM 1371 O PHE A 106 -11.396 8.245 -10.232 1.00 0.96 O ATOM 1372 CB PHE A 106 -10.781 7.545 -7.598 1.00 0.69 C ATOM 1373 CG PHE A 106 -10.998 7.509 -6.105 1.00 0.73 C ATOM 1374 CD1 PHE A 106 -11.749 8.514 -5.484 1.00 1.40 C ATOM 1375 CD2 PHE A 106 -10.447 6.472 -5.339 1.00 0.52 C ATOM 1376 CE1 PHE A 106 -11.948 8.486 -4.099 1.00 1.58 C ATOM 1377 CE2 PHE A 106 -10.648 6.444 -3.953 1.00 0.46 C ATOM 1378 CZ PHE A 106 -11.398 7.452 -3.333 1.00 1.01 C ATOM 0 H PHE A 106 -10.751 5.320 -8.891 1.00 0.60 H new ATOM 0 HA PHE A 106 -12.865 7.001 -7.646 1.00 0.73 H new ATOM 0 HB2 PHE A 106 -9.883 6.984 -7.859 1.00 0.69 H new ATOM 0 HB3 PHE A 106 -10.623 8.572 -7.929 1.00 0.69 H new ATOM 0 HD1 PHE A 106 -12.175 9.312 -6.074 1.00 1.40 H new ATOM 0 HD2 PHE A 106 -9.868 5.696 -5.817 1.00 0.52 H new ATOM 0 HE1 PHE A 106 -12.526 9.263 -3.621 1.00 1.58 H new ATOM 0 HE2 PHE A 106 -10.225 5.645 -3.362 1.00 0.46 H new ATOM 0 HZ PHE A 106 -11.552 7.431 -2.264 1.00 1.01 H new ATOM 1388 N GLU A 107 -13.537 7.843 -9.953 1.00 0.88 N ATOM 1389 CA GLU A 107 -13.891 8.601 -11.188 1.00 1.00 C ATOM 1390 C GLU A 107 -14.178 10.061 -10.820 1.00 1.14 C ATOM 1391 O GLU A 107 -14.039 10.956 -11.629 1.00 1.29 O ATOM 1392 CB GLU A 107 -15.137 7.973 -11.826 1.00 1.02 C ATOM 1393 CG GLU A 107 -15.621 8.845 -12.988 1.00 2.66 C ATOM 1394 CD GLU A 107 -16.080 7.955 -14.144 1.00 3.11 C ATOM 1395 OE1 GLU A 107 -15.227 7.503 -14.892 1.00 3.83 O ATOM 1396 OE2 GLU A 107 -17.274 7.741 -14.263 1.00 2.97 O ATOM 0 H GLU A 107 -14.328 7.438 -9.452 1.00 0.88 H new ATOM 0 HA GLU A 107 -13.063 8.563 -11.896 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -14.907 6.969 -12.184 1.00 1.02 H new ATOM 0 HB3 GLU A 107 -15.927 7.873 -11.081 1.00 1.02 H new ATOM 0 HG2 GLU A 107 -16.442 9.483 -12.659 1.00 2.66 H new ATOM 0 HG3 GLU A 107 -14.818 9.504 -13.320 1.00 2.66 H new ATOM 1403 N SER A 108 -14.571 10.303 -9.601 1.00 1.13 N ATOM 1404 CA SER A 108 -14.864 11.699 -9.171 1.00 1.25 C ATOM 1405 C SER A 108 -13.586 12.306 -8.606 1.00 1.08 C ATOM 1406 O SER A 108 -13.209 13.416 -8.928 1.00 1.17 O ATOM 1407 CB SER A 108 -15.945 11.681 -8.090 1.00 1.36 C ATOM 1408 OG SER A 108 -16.555 12.962 -8.014 1.00 2.33 O ATOM 0 H SER A 108 -14.702 9.592 -8.881 1.00 1.13 H new ATOM 0 HA SER A 108 -15.216 12.289 -10.017 1.00 1.25 H new ATOM 0 HB2 SER A 108 -16.693 10.922 -8.320 1.00 1.36 H new ATOM 0 HB3 SER A 108 -15.508 11.416 -7.127 1.00 1.36 H new ATOM 0 HG SER A 108 -17.250 12.953 -7.323 1.00 2.33 H new ATOM 1414 N SER A 109 -12.909 11.566 -7.779 1.00 0.84 N ATOM 1415 CA SER A 109 -11.637 12.061 -7.194 1.00 0.65 C ATOM 1416 C SER A 109 -10.493 11.291 -7.849 1.00 0.54 C ATOM 1417 O SER A 109 -9.534 10.909 -7.210 1.00 0.37 O ATOM 1418 CB SER A 109 -11.632 11.812 -5.685 1.00 0.57 C ATOM 1419 OG SER A 109 -11.138 12.968 -5.020 1.00 0.58 O ATOM 0 H SER A 109 -13.185 10.631 -7.480 1.00 0.84 H new ATOM 0 HA SER A 109 -11.526 13.131 -7.369 1.00 0.65 H new ATOM 0 HB2 SER A 109 -12.640 11.582 -5.339 1.00 0.57 H new ATOM 0 HB3 SER A 109 -11.010 10.949 -5.449 1.00 0.57 H new ATOM 0 HG SER A 109 -11.283 12.877 -4.055 1.00 0.58 H new ATOM 1425 N GLU A 110 -10.611 11.044 -9.125 1.00 0.67 N ATOM 1426 CA GLU A 110 -9.563 10.283 -9.849 1.00 0.62 C ATOM 1427 C GLU A 110 -8.182 10.885 -9.569 1.00 0.55 C ATOM 1428 O GLU A 110 -7.218 10.177 -9.364 1.00 0.51 O ATOM 1429 CB GLU A 110 -9.848 10.343 -11.350 1.00 0.78 C ATOM 1430 CG GLU A 110 -9.020 9.280 -12.068 1.00 0.77 C ATOM 1431 CD GLU A 110 -9.682 8.929 -13.401 1.00 0.71 C ATOM 1432 OE1 GLU A 110 -9.781 9.808 -14.241 1.00 1.33 O ATOM 1433 OE2 GLU A 110 -10.079 7.786 -13.560 1.00 0.79 O ATOM 0 H GLU A 110 -11.399 11.342 -9.700 1.00 0.67 H new ATOM 0 HA GLU A 110 -9.572 9.248 -9.508 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -10.909 10.180 -11.536 1.00 0.78 H new ATOM 0 HB3 GLU A 110 -9.605 11.332 -11.738 1.00 0.78 H new ATOM 0 HG2 GLU A 110 -8.008 9.647 -12.238 1.00 0.77 H new ATOM 0 HG3 GLU A 110 -8.936 8.389 -11.446 1.00 0.77 H new ATOM 1440 N GLU A 111 -8.079 12.187 -9.567 1.00 0.56 N ATOM 1441 CA GLU A 111 -6.760 12.839 -9.309 1.00 0.55 C ATOM 1442 C GLU A 111 -6.146 12.280 -8.021 1.00 0.45 C ATOM 1443 O GLU A 111 -4.961 12.019 -7.949 1.00 0.47 O ATOM 1444 CB GLU A 111 -6.961 14.349 -9.163 1.00 0.58 C ATOM 1445 CG GLU A 111 -7.982 14.623 -8.055 1.00 2.12 C ATOM 1446 CD GLU A 111 -8.347 16.111 -8.038 1.00 2.28 C ATOM 1447 OE1 GLU A 111 -7.884 16.828 -8.911 1.00 1.17 O ATOM 1448 OE2 GLU A 111 -9.084 16.507 -7.150 1.00 3.79 O ATOM 0 H GLU A 111 -8.853 12.830 -9.733 1.00 0.56 H new ATOM 0 HA GLU A 111 -6.089 12.636 -10.144 1.00 0.55 H new ATOM 0 HB2 GLU A 111 -6.013 14.832 -8.926 1.00 0.58 H new ATOM 0 HB3 GLU A 111 -7.308 14.773 -10.105 1.00 0.58 H new ATOM 0 HG2 GLU A 111 -8.877 14.022 -8.217 1.00 2.12 H new ATOM 0 HG3 GLU A 111 -7.571 14.329 -7.089 1.00 2.12 H new ATOM 1455 N GLN A 112 -6.943 12.097 -7.006 1.00 0.39 N ATOM 1456 CA GLN A 112 -6.409 11.558 -5.724 1.00 0.41 C ATOM 1457 C GLN A 112 -5.956 10.108 -5.925 1.00 0.42 C ATOM 1458 O GLN A 112 -4.956 9.679 -5.384 1.00 0.47 O ATOM 1459 CB GLN A 112 -7.506 11.609 -4.657 1.00 0.43 C ATOM 1460 CG GLN A 112 -8.077 13.029 -4.574 1.00 0.44 C ATOM 1461 CD GLN A 112 -7.077 13.946 -3.865 1.00 0.73 C ATOM 1462 OE1 GLN A 112 -6.000 13.522 -3.498 1.00 1.58 O ATOM 1463 NE2 GLN A 112 -7.393 15.196 -3.658 1.00 0.92 N ATOM 0 H GLN A 112 -7.943 12.298 -7.009 1.00 0.39 H new ATOM 0 HA GLN A 112 -5.559 12.159 -5.402 1.00 0.41 H new ATOM 0 HB2 GLN A 112 -8.298 10.901 -4.901 1.00 0.43 H new ATOM 0 HB3 GLN A 112 -7.101 11.312 -3.690 1.00 0.43 H new ATOM 0 HG2 GLN A 112 -8.285 13.407 -5.575 1.00 0.44 H new ATOM 0 HG3 GLN A 112 -9.023 13.020 -4.033 1.00 0.44 H new ATOM 0 HE21 GLN A 112 -8.298 15.551 -3.967 1.00 0.92 H new ATOM 0 HE22 GLN A 112 -6.735 15.817 -3.188 1.00 0.92 H new ATOM 1472 N ALA A 113 -6.682 9.347 -6.702 1.00 0.45 N ATOM 1473 CA ALA A 113 -6.289 7.926 -6.939 1.00 0.52 C ATOM 1474 C ALA A 113 -4.908 7.886 -7.597 1.00 0.44 C ATOM 1475 O ALA A 113 -4.108 7.010 -7.332 1.00 0.46 O ATOM 1476 CB ALA A 113 -7.310 7.261 -7.865 1.00 0.69 C ATOM 0 H ALA A 113 -7.530 9.648 -7.183 1.00 0.45 H new ATOM 0 HA ALA A 113 -6.259 7.393 -5.988 1.00 0.52 H new ATOM 0 HB1 ALA A 113 -7.023 6.224 -8.038 1.00 0.69 H new ATOM 0 HB2 ALA A 113 -8.296 7.292 -7.402 1.00 0.69 H new ATOM 0 HB3 ALA A 113 -7.339 7.793 -8.816 1.00 0.69 H new ATOM 1482 N ARG A 114 -4.623 8.829 -8.451 1.00 0.48 N ATOM 1483 CA ARG A 114 -3.297 8.854 -9.129 1.00 0.56 C ATOM 1484 C ARG A 114 -2.241 9.410 -8.169 1.00 0.51 C ATOM 1485 O ARG A 114 -1.056 9.217 -8.356 1.00 0.56 O ATOM 1486 CB ARG A 114 -3.377 9.744 -10.372 1.00 0.73 C ATOM 1487 CG ARG A 114 -3.129 8.899 -11.624 1.00 0.44 C ATOM 1488 CD ARG A 114 -3.878 9.510 -12.811 1.00 0.25 C ATOM 1489 NE ARG A 114 -2.981 9.542 -14.001 1.00 0.44 N ATOM 1490 CZ ARG A 114 -2.479 10.675 -14.412 1.00 1.61 C ATOM 1491 NH1 ARG A 114 -1.823 11.439 -13.581 1.00 3.10 N ATOM 1492 NH2 ARG A 114 -2.634 11.045 -15.653 1.00 1.90 N ATOM 0 H ARG A 114 -5.255 9.587 -8.710 1.00 0.48 H new ATOM 0 HA ARG A 114 -3.021 7.842 -9.424 1.00 0.56 H new ATOM 0 HB2 ARG A 114 -4.356 10.219 -10.429 1.00 0.73 H new ATOM 0 HB3 ARG A 114 -2.638 10.543 -10.308 1.00 0.73 H new ATOM 0 HG2 ARG A 114 -2.061 8.853 -11.839 1.00 0.44 H new ATOM 0 HG3 ARG A 114 -3.465 7.875 -11.457 1.00 0.44 H new ATOM 0 HD2 ARG A 114 -4.771 8.925 -13.031 1.00 0.25 H new ATOM 0 HD3 ARG A 114 -4.210 10.519 -12.565 1.00 0.25 H new ATOM 0 HE ARG A 114 -2.759 8.678 -14.495 1.00 0.44 H new ATOM 0 HH11 ARG A 114 -1.702 11.151 -12.610 1.00 3.10 H new ATOM 0 HH12 ARG A 114 -1.431 12.324 -13.903 1.00 3.10 H new ATOM 0 HH21 ARG A 114 -3.147 10.449 -16.302 1.00 1.90 H new ATOM 0 HH22 ARG A 114 -2.242 11.930 -15.974 1.00 1.90 H new ATOM 1506 N ALA A 115 -2.657 10.100 -7.141 1.00 0.52 N ATOM 1507 CA ALA A 115 -1.671 10.662 -6.177 1.00 0.64 C ATOM 1508 C ALA A 115 -1.144 9.543 -5.277 1.00 0.64 C ATOM 1509 O ALA A 115 0.031 9.484 -4.972 1.00 0.71 O ATOM 1510 CB ALA A 115 -2.349 11.732 -5.319 1.00 0.72 C ATOM 0 H ALA A 115 -3.635 10.298 -6.929 1.00 0.52 H new ATOM 0 HA ALA A 115 -0.841 11.109 -6.724 1.00 0.64 H new ATOM 0 HB1 ALA A 115 -1.627 12.144 -4.613 1.00 0.72 H new ATOM 0 HB2 ALA A 115 -2.724 12.529 -5.961 1.00 0.72 H new ATOM 0 HB3 ALA A 115 -3.179 11.287 -4.771 1.00 0.72 H new ATOM 1516 N VAL A 116 -1.999 8.654 -4.848 1.00 0.58 N ATOM 1517 CA VAL A 116 -1.533 7.544 -3.970 1.00 0.63 C ATOM 1518 C VAL A 116 -0.873 6.457 -4.831 1.00 0.58 C ATOM 1519 O VAL A 116 0.094 5.838 -4.435 1.00 0.66 O ATOM 1520 CB VAL A 116 -2.725 6.952 -3.200 1.00 0.60 C ATOM 1521 CG1 VAL A 116 -3.643 6.174 -4.149 1.00 0.61 C ATOM 1522 CG2 VAL A 116 -2.204 6.005 -2.118 1.00 1.13 C ATOM 0 H VAL A 116 -2.995 8.649 -5.067 1.00 0.58 H new ATOM 0 HA VAL A 116 -0.807 7.928 -3.254 1.00 0.63 H new ATOM 0 HB VAL A 116 -3.292 7.766 -2.748 1.00 0.60 H new ATOM 0 HG11 VAL A 116 -4.481 5.762 -3.588 1.00 0.61 H new ATOM 0 HG12 VAL A 116 -4.019 6.844 -4.922 1.00 0.61 H new ATOM 0 HG13 VAL A 116 -3.083 5.362 -4.613 1.00 0.61 H new ATOM 0 HG21 VAL A 116 -3.045 5.582 -1.569 1.00 1.13 H new ATOM 0 HG22 VAL A 116 -1.633 5.201 -2.582 1.00 1.13 H new ATOM 0 HG23 VAL A 116 -1.562 6.556 -1.431 1.00 1.13 H new ATOM 1532 N GLN A 117 -1.400 6.222 -6.005 1.00 0.44 N ATOM 1533 CA GLN A 117 -0.824 5.177 -6.898 1.00 0.39 C ATOM 1534 C GLN A 117 0.518 5.647 -7.458 1.00 0.43 C ATOM 1535 O GLN A 117 1.545 5.052 -7.211 1.00 0.51 O ATOM 1536 CB GLN A 117 -1.790 4.921 -8.055 1.00 0.23 C ATOM 1537 CG GLN A 117 -1.468 3.571 -8.697 1.00 0.65 C ATOM 1538 CD GLN A 117 -0.747 3.795 -10.028 1.00 0.68 C ATOM 1539 OE1 GLN A 117 0.264 4.465 -10.079 1.00 1.87 O ATOM 1540 NE2 GLN A 117 -1.229 3.258 -11.115 1.00 0.56 N ATOM 0 H GLN A 117 -2.210 6.713 -6.384 1.00 0.44 H new ATOM 0 HA GLN A 117 -0.671 4.261 -6.327 1.00 0.39 H new ATOM 0 HB2 GLN A 117 -2.818 4.928 -7.693 1.00 0.23 H new ATOM 0 HB3 GLN A 117 -1.707 5.717 -8.795 1.00 0.23 H new ATOM 0 HG2 GLN A 117 -0.843 2.979 -8.028 1.00 0.65 H new ATOM 0 HG3 GLN A 117 -2.386 3.006 -8.860 1.00 0.65 H new ATOM 0 HE21 GLN A 117 -2.078 2.695 -11.072 1.00 0.56 H new ATOM 0 HE22 GLN A 117 -0.756 3.401 -12.007 1.00 0.56 H new ATOM 1549 N MET A 118 0.515 6.709 -8.220 1.00 0.42 N ATOM 1550 CA MET A 118 1.790 7.220 -8.808 1.00 0.45 C ATOM 1551 C MET A 118 2.857 7.333 -7.716 1.00 0.46 C ATOM 1552 O MET A 118 4.030 7.124 -7.956 1.00 0.36 O ATOM 1553 CB MET A 118 1.548 8.600 -9.427 1.00 0.43 C ATOM 1554 CG MET A 118 0.452 8.504 -10.490 1.00 0.47 C ATOM 1555 SD MET A 118 1.205 8.241 -12.113 1.00 1.06 S ATOM 1556 CE MET A 118 0.391 6.669 -12.484 1.00 3.43 C ATOM 0 H MET A 118 -0.318 7.247 -8.462 1.00 0.42 H new ATOM 0 HA MET A 118 2.134 6.528 -9.577 1.00 0.45 H new ATOM 0 HB2 MET A 118 1.256 9.310 -8.653 1.00 0.43 H new ATOM 0 HB3 MET A 118 2.469 8.975 -9.873 1.00 0.43 H new ATOM 0 HG2 MET A 118 -0.226 7.684 -10.255 1.00 0.47 H new ATOM 0 HG3 MET A 118 -0.143 9.417 -10.497 1.00 0.47 H new ATOM 0 HE1 MET A 118 0.310 6.547 -13.564 1.00 3.43 H new ATOM 0 HE2 MET A 118 0.977 5.849 -12.069 1.00 3.43 H new ATOM 0 HE3 MET A 118 -0.605 6.662 -12.042 1.00 3.43 H new ATOM 1566 N SER A 119 2.460 7.659 -6.517 1.00 0.65 N ATOM 1567 CA SER A 119 3.452 7.782 -5.412 1.00 0.71 C ATOM 1568 C SER A 119 4.021 6.400 -5.090 1.00 0.63 C ATOM 1569 O SER A 119 5.218 6.209 -5.025 1.00 0.55 O ATOM 1570 CB SER A 119 2.762 8.351 -4.171 1.00 0.90 C ATOM 1571 OG SER A 119 3.705 8.447 -3.111 1.00 1.87 O ATOM 0 H SER A 119 1.492 7.845 -6.255 1.00 0.65 H new ATOM 0 HA SER A 119 4.259 8.448 -5.716 1.00 0.71 H new ATOM 0 HB2 SER A 119 2.344 9.333 -4.391 1.00 0.90 H new ATOM 0 HB3 SER A 119 1.931 7.710 -3.877 1.00 0.90 H new ATOM 0 HG SER A 119 4.251 9.252 -3.231 1.00 1.87 H new ATOM 1577 N THR A 120 3.167 5.435 -4.890 1.00 0.66 N ATOM 1578 CA THR A 120 3.647 4.060 -4.576 1.00 0.64 C ATOM 1579 C THR A 120 4.471 3.520 -5.749 1.00 0.51 C ATOM 1580 O THR A 120 5.259 2.608 -5.599 1.00 0.48 O ATOM 1581 CB THR A 120 2.440 3.154 -4.344 1.00 0.72 C ATOM 1582 OG1 THR A 120 1.640 3.143 -5.518 1.00 1.08 O ATOM 1583 CG2 THR A 120 1.618 3.685 -3.169 1.00 0.69 C ATOM 0 H THR A 120 2.153 5.540 -4.931 1.00 0.66 H new ATOM 0 HA THR A 120 4.270 4.085 -3.682 1.00 0.64 H new ATOM 0 HB THR A 120 2.776 2.142 -4.116 1.00 0.72 H new ATOM 0 HG1 THR A 120 1.978 3.811 -6.150 1.00 1.08 H new ATOM 0 HG21 THR A 120 0.757 3.037 -3.005 1.00 0.69 H new ATOM 0 HG22 THR A 120 2.236 3.702 -2.271 1.00 0.69 H new ATOM 0 HG23 THR A 120 1.275 4.695 -3.392 1.00 0.69 H new ATOM 1591 N LYS A 121 4.306 4.089 -6.912 1.00 0.43 N ATOM 1592 CA LYS A 121 5.085 3.630 -8.093 1.00 0.30 C ATOM 1593 C LYS A 121 6.415 4.377 -8.093 1.00 0.20 C ATOM 1594 O LYS A 121 7.408 3.904 -8.602 1.00 0.13 O ATOM 1595 CB LYS A 121 4.297 3.950 -9.370 1.00 0.32 C ATOM 1596 CG LYS A 121 5.144 3.628 -10.603 1.00 1.31 C ATOM 1597 CD LYS A 121 5.244 2.112 -10.777 1.00 1.32 C ATOM 1598 CE LYS A 121 4.021 1.602 -11.546 1.00 0.90 C ATOM 1599 NZ LYS A 121 3.004 1.076 -10.589 1.00 2.49 N ATOM 0 H LYS A 121 3.660 4.857 -7.094 1.00 0.43 H new ATOM 0 HA LYS A 121 5.262 2.555 -8.052 1.00 0.30 H new ATOM 0 HB2 LYS A 121 3.374 3.371 -9.392 1.00 0.32 H new ATOM 0 HB3 LYS A 121 4.014 5.003 -9.378 1.00 0.32 H new ATOM 0 HG2 LYS A 121 4.698 4.077 -11.490 1.00 1.31 H new ATOM 0 HG3 LYS A 121 6.140 4.058 -10.495 1.00 1.31 H new ATOM 0 HD2 LYS A 121 6.157 1.857 -11.315 1.00 1.32 H new ATOM 0 HD3 LYS A 121 5.302 1.627 -9.803 1.00 1.32 H new ATOM 0 HE2 LYS A 121 3.591 2.409 -12.140 1.00 0.90 H new ATOM 0 HE3 LYS A 121 4.319 0.818 -12.242 1.00 0.90 H new ATOM 0 HZ1 LYS A 121 2.576 0.211 -10.977 1.00 2.49 H new ATOM 0 HZ2 LYS A 121 3.462 0.858 -9.681 1.00 2.49 H new ATOM 0 HZ3 LYS A 121 2.264 1.792 -10.441 1.00 2.49 H new ATOM 1613 N VAL A 122 6.437 5.543 -7.513 1.00 0.33 N ATOM 1614 CA VAL A 122 7.693 6.327 -7.455 1.00 0.30 C ATOM 1615 C VAL A 122 8.657 5.644 -6.484 1.00 0.21 C ATOM 1616 O VAL A 122 9.854 5.693 -6.659 1.00 0.19 O ATOM 1617 CB VAL A 122 7.376 7.740 -6.967 1.00 0.46 C ATOM 1618 CG1 VAL A 122 8.674 8.529 -6.788 1.00 0.47 C ATOM 1619 CG2 VAL A 122 6.497 8.440 -8.003 1.00 0.55 C ATOM 0 H VAL A 122 5.630 5.987 -7.074 1.00 0.33 H new ATOM 0 HA VAL A 122 8.151 6.382 -8.442 1.00 0.30 H new ATOM 0 HB VAL A 122 6.854 7.687 -6.012 1.00 0.46 H new ATOM 0 HG11 VAL A 122 8.443 9.536 -6.440 1.00 0.47 H new ATOM 0 HG12 VAL A 122 9.306 8.028 -6.055 1.00 0.47 H new ATOM 0 HG13 VAL A 122 9.199 8.586 -7.741 1.00 0.47 H new ATOM 0 HG21 VAL A 122 6.266 9.449 -7.662 1.00 0.55 H new ATOM 0 HG22 VAL A 122 7.026 8.491 -8.955 1.00 0.55 H new ATOM 0 HG23 VAL A 122 5.571 7.880 -8.132 1.00 0.55 H new ATOM 1629 N LEU A 123 8.147 5.004 -5.464 1.00 0.24 N ATOM 1630 CA LEU A 123 9.048 4.312 -4.495 1.00 0.26 C ATOM 1631 C LEU A 123 9.571 3.029 -5.140 1.00 0.28 C ATOM 1632 O LEU A 123 10.704 2.636 -4.943 1.00 0.42 O ATOM 1633 CB LEU A 123 8.270 3.939 -3.225 1.00 0.49 C ATOM 1634 CG LEU A 123 8.173 5.135 -2.269 1.00 0.55 C ATOM 1635 CD1 LEU A 123 9.560 5.727 -2.011 1.00 0.61 C ATOM 1636 CD2 LEU A 123 7.261 6.201 -2.875 1.00 0.46 C ATOM 0 H LEU A 123 7.150 4.931 -5.261 1.00 0.24 H new ATOM 0 HA LEU A 123 9.872 4.976 -4.233 1.00 0.26 H new ATOM 0 HB2 LEU A 123 7.269 3.601 -3.493 1.00 0.49 H new ATOM 0 HB3 LEU A 123 8.763 3.107 -2.723 1.00 0.49 H new ATOM 0 HG LEU A 123 7.757 4.795 -1.320 1.00 0.55 H new ATOM 0 HD11 LEU A 123 9.473 6.574 -1.331 1.00 0.61 H new ATOM 0 HD12 LEU A 123 10.202 4.968 -1.565 1.00 0.61 H new ATOM 0 HD13 LEU A 123 9.994 6.061 -2.953 1.00 0.61 H new ATOM 0 HD21 LEU A 123 7.193 7.050 -2.195 1.00 0.46 H new ATOM 0 HD22 LEU A 123 7.672 6.532 -3.829 1.00 0.46 H new ATOM 0 HD23 LEU A 123 6.267 5.782 -3.034 1.00 0.46 H new ATOM 1648 N ILE A 124 8.746 2.372 -5.902 1.00 0.27 N ATOM 1649 CA ILE A 124 9.174 1.106 -6.559 1.00 0.35 C ATOM 1650 C ILE A 124 10.285 1.390 -7.570 1.00 0.33 C ATOM 1651 O ILE A 124 11.335 0.792 -7.527 1.00 0.48 O ATOM 1652 CB ILE A 124 7.973 0.479 -7.273 1.00 0.37 C ATOM 1653 CG1 ILE A 124 6.897 0.129 -6.242 1.00 0.20 C ATOM 1654 CG2 ILE A 124 8.410 -0.793 -7.998 1.00 0.67 C ATOM 1655 CD1 ILE A 124 5.587 -0.196 -6.962 1.00 0.42 C ATOM 0 H ILE A 124 7.787 2.658 -6.100 1.00 0.27 H new ATOM 0 HA ILE A 124 9.553 0.417 -5.804 1.00 0.35 H new ATOM 0 HB ILE A 124 7.573 1.189 -7.997 1.00 0.37 H new ATOM 0 HG12 ILE A 124 7.216 -0.724 -5.643 1.00 0.20 H new ATOM 0 HG13 ILE A 124 6.750 0.963 -5.556 1.00 0.20 H new ATOM 0 HG21 ILE A 124 7.553 -1.236 -8.505 1.00 0.67 H new ATOM 0 HG22 ILE A 124 9.178 -0.548 -8.732 1.00 0.67 H new ATOM 0 HG23 ILE A 124 8.812 -1.504 -7.276 1.00 0.67 H new ATOM 0 HD11 ILE A 124 4.821 -0.445 -6.228 1.00 0.42 H new ATOM 0 HD12 ILE A 124 5.266 0.669 -7.542 1.00 0.42 H new ATOM 0 HD13 ILE A 124 5.739 -1.044 -7.630 1.00 0.42 H new ATOM 1667 N GLN A 125 10.060 2.285 -8.483 1.00 0.39 N ATOM 1668 CA GLN A 125 11.091 2.593 -9.503 1.00 0.50 C ATOM 1669 C GLN A 125 12.298 3.275 -8.856 1.00 0.58 C ATOM 1670 O GLN A 125 13.426 3.067 -9.254 1.00 0.82 O ATOM 1671 CB GLN A 125 10.469 3.519 -10.538 1.00 0.52 C ATOM 1672 CG GLN A 125 9.926 2.682 -11.695 1.00 0.57 C ATOM 1673 CD GLN A 125 9.752 3.567 -12.931 1.00 0.98 C ATOM 1674 OE1 GLN A 125 10.711 4.102 -13.451 1.00 0.61 O ATOM 1675 NE2 GLN A 125 8.557 3.746 -13.426 1.00 2.37 N ATOM 0 H GLN A 125 9.197 2.822 -8.567 1.00 0.39 H new ATOM 0 HA GLN A 125 11.434 1.671 -9.972 1.00 0.50 H new ATOM 0 HB2 GLN A 125 9.666 4.102 -10.087 1.00 0.52 H new ATOM 0 HB3 GLN A 125 11.212 4.228 -10.903 1.00 0.52 H new ATOM 0 HG2 GLN A 125 10.609 1.862 -11.916 1.00 0.57 H new ATOM 0 HG3 GLN A 125 8.971 2.236 -11.417 1.00 0.57 H new ATOM 0 HE21 GLN A 125 7.752 3.297 -12.990 1.00 2.37 H new ATOM 0 HE22 GLN A 125 8.429 4.335 -14.249 1.00 2.37 H new ATOM 1684 N PHE A 126 12.073 4.097 -7.872 1.00 0.43 N ATOM 1685 CA PHE A 126 13.214 4.797 -7.214 1.00 0.52 C ATOM 1686 C PHE A 126 14.048 3.789 -6.417 1.00 0.60 C ATOM 1687 O PHE A 126 15.150 3.446 -6.789 1.00 1.19 O ATOM 1688 CB PHE A 126 12.685 5.871 -6.260 1.00 0.45 C ATOM 1689 CG PHE A 126 12.354 7.129 -7.032 1.00 0.56 C ATOM 1690 CD1 PHE A 126 11.675 7.054 -8.257 1.00 0.62 C ATOM 1691 CD2 PHE A 126 12.730 8.377 -6.520 1.00 0.67 C ATOM 1692 CE1 PHE A 126 11.374 8.224 -8.964 1.00 0.83 C ATOM 1693 CE2 PHE A 126 12.429 9.546 -7.228 1.00 0.85 C ATOM 1694 CZ PHE A 126 11.752 9.470 -8.450 1.00 0.93 C ATOM 0 H PHE A 126 11.151 4.316 -7.494 1.00 0.43 H new ATOM 0 HA PHE A 126 13.833 5.262 -7.981 1.00 0.52 H new ATOM 0 HB2 PHE A 126 11.797 5.506 -5.745 1.00 0.45 H new ATOM 0 HB3 PHE A 126 13.430 6.089 -5.495 1.00 0.45 H new ATOM 0 HD1 PHE A 126 11.384 6.093 -8.655 1.00 0.62 H new ATOM 0 HD2 PHE A 126 13.253 8.437 -5.577 1.00 0.67 H new ATOM 0 HE1 PHE A 126 10.850 8.165 -9.906 1.00 0.83 H new ATOM 0 HE2 PHE A 126 12.719 10.507 -6.831 1.00 0.85 H new ATOM 0 HZ PHE A 126 11.521 10.372 -8.997 1.00 0.93 H new ATOM 1704 N LEU A 127 13.529 3.321 -5.316 1.00 0.64 N ATOM 1705 CA LEU A 127 14.284 2.341 -4.479 1.00 0.76 C ATOM 1706 C LEU A 127 14.809 1.192 -5.348 1.00 0.59 C ATOM 1707 O LEU A 127 15.874 0.674 -5.119 1.00 0.53 O ATOM 1708 CB LEU A 127 13.348 1.779 -3.405 1.00 0.97 C ATOM 1709 CG LEU A 127 14.153 1.207 -2.229 1.00 1.45 C ATOM 1710 CD1 LEU A 127 14.981 0.008 -2.694 1.00 2.99 C ATOM 1711 CD2 LEU A 127 15.088 2.282 -1.668 1.00 1.68 C ATOM 0 H LEU A 127 12.609 3.576 -4.956 1.00 0.64 H new ATOM 0 HA LEU A 127 15.131 2.845 -4.013 1.00 0.76 H new ATOM 0 HB2 LEU A 127 12.682 2.565 -3.048 1.00 0.97 H new ATOM 0 HB3 LEU A 127 12.719 0.999 -3.835 1.00 0.97 H new ATOM 0 HG LEU A 127 13.459 0.886 -1.452 1.00 1.45 H new ATOM 0 HD11 LEU A 127 15.548 -0.391 -1.853 1.00 2.99 H new ATOM 0 HD12 LEU A 127 14.317 -0.764 -3.082 1.00 2.99 H new ATOM 0 HD13 LEU A 127 15.669 0.323 -3.479 1.00 2.99 H new ATOM 0 HD21 LEU A 127 15.657 1.871 -0.834 1.00 1.68 H new ATOM 0 HD22 LEU A 127 15.775 2.610 -2.448 1.00 1.68 H new ATOM 0 HD23 LEU A 127 14.499 3.132 -1.322 1.00 1.68 H new ATOM 1723 N GLN A 128 14.064 0.782 -6.331 1.00 0.56 N ATOM 1724 CA GLN A 128 14.522 -0.346 -7.198 1.00 0.47 C ATOM 1725 C GLN A 128 15.790 0.056 -7.955 1.00 0.45 C ATOM 1726 O GLN A 128 16.858 -0.476 -7.725 1.00 0.54 O ATOM 1727 CB GLN A 128 13.414 -0.698 -8.196 1.00 0.56 C ATOM 1728 CG GLN A 128 13.863 -1.844 -9.104 1.00 1.11 C ATOM 1729 CD GLN A 128 13.415 -1.561 -10.539 1.00 1.72 C ATOM 1730 OE1 GLN A 128 14.139 -0.959 -11.306 1.00 2.68 O ATOM 1731 NE2 GLN A 128 12.243 -1.975 -10.935 1.00 1.42 N ATOM 0 H GLN A 128 13.156 1.176 -6.576 1.00 0.56 H new ATOM 0 HA GLN A 128 14.743 -1.213 -6.575 1.00 0.47 H new ATOM 0 HB2 GLN A 128 12.509 -0.983 -7.660 1.00 0.56 H new ATOM 0 HB3 GLN A 128 13.166 0.176 -8.798 1.00 0.56 H new ATOM 0 HG2 GLN A 128 14.947 -1.951 -9.064 1.00 1.11 H new ATOM 0 HG3 GLN A 128 13.437 -2.786 -8.757 1.00 1.11 H new ATOM 0 HE21 GLN A 128 11.636 -2.481 -10.290 1.00 1.42 H new ATOM 0 HE22 GLN A 128 11.934 -1.793 -11.890 1.00 1.42 H new ATOM 1740 N LYS A 129 15.681 0.985 -8.863 1.00 0.86 N ATOM 1741 CA LYS A 129 16.876 1.414 -9.643 1.00 1.14 C ATOM 1742 C LYS A 129 17.981 1.899 -8.699 1.00 1.27 C ATOM 1743 O LYS A 129 19.050 1.324 -8.631 1.00 1.26 O ATOM 1744 CB LYS A 129 16.484 2.555 -10.586 1.00 1.29 C ATOM 1745 CG LYS A 129 16.140 1.987 -11.965 1.00 1.75 C ATOM 1746 CD LYS A 129 14.960 2.763 -12.554 1.00 2.02 C ATOM 1747 CE LYS A 129 14.349 1.966 -13.708 1.00 3.16 C ATOM 1748 NZ LYS A 129 13.563 2.883 -14.582 1.00 3.58 N ATOM 0 H LYS A 129 14.814 1.467 -9.099 1.00 0.86 H new ATOM 0 HA LYS A 129 17.246 0.565 -10.218 1.00 1.14 H new ATOM 0 HB2 LYS A 129 15.629 3.097 -10.181 1.00 1.29 H new ATOM 0 HB3 LYS A 129 17.304 3.269 -10.670 1.00 1.29 H new ATOM 0 HG2 LYS A 129 17.004 2.059 -12.626 1.00 1.75 H new ATOM 0 HG3 LYS A 129 15.889 0.929 -11.883 1.00 1.75 H new ATOM 0 HD2 LYS A 129 14.209 2.943 -11.785 1.00 2.02 H new ATOM 0 HD3 LYS A 129 15.293 3.738 -12.908 1.00 2.02 H new ATOM 0 HE2 LYS A 129 15.136 1.481 -14.286 1.00 3.16 H new ATOM 0 HE3 LYS A 129 13.706 1.177 -13.319 1.00 3.16 H new ATOM 0 HZ1 LYS A 129 13.318 2.394 -15.467 1.00 3.58 H new ATOM 0 HZ2 LYS A 129 12.691 3.168 -14.091 1.00 3.58 H new ATOM 0 HZ3 LYS A 129 14.130 3.727 -14.798 1.00 3.58 H new ATOM 1762 N LYS A 130 17.744 2.968 -7.988 1.00 1.56 N ATOM 1763 CA LYS A 130 18.790 3.509 -7.071 1.00 1.83 C ATOM 1764 C LYS A 130 18.716 2.848 -5.689 1.00 1.70 C ATOM 1765 O LYS A 130 18.915 3.493 -4.679 1.00 2.02 O ATOM 1766 CB LYS A 130 18.587 5.016 -6.915 1.00 2.43 C ATOM 1767 CG LYS A 130 17.190 5.283 -6.356 1.00 2.74 C ATOM 1768 CD LYS A 130 17.239 6.483 -5.410 1.00 3.47 C ATOM 1769 CE LYS A 130 16.148 6.338 -4.345 1.00 3.92 C ATOM 1770 NZ LYS A 130 15.747 7.688 -3.858 1.00 5.50 N ATOM 0 H LYS A 130 16.869 3.492 -8.002 1.00 1.56 H new ATOM 0 HA LYS A 130 19.768 3.296 -7.502 1.00 1.83 H new ATOM 0 HB2 LYS A 130 19.343 5.429 -6.247 1.00 2.43 H new ATOM 0 HB3 LYS A 130 18.707 5.512 -7.878 1.00 2.43 H new ATOM 0 HG2 LYS A 130 16.492 5.477 -7.170 1.00 2.74 H new ATOM 0 HG3 LYS A 130 16.825 4.403 -5.826 1.00 2.74 H new ATOM 0 HD2 LYS A 130 18.219 6.546 -4.936 1.00 3.47 H new ATOM 0 HD3 LYS A 130 17.095 7.407 -5.970 1.00 3.47 H new ATOM 0 HE2 LYS A 130 15.285 5.819 -4.762 1.00 3.92 H new ATOM 0 HE3 LYS A 130 16.513 5.734 -3.515 1.00 3.92 H new ATOM 0 HZ1 LYS A 130 15.893 7.744 -2.830 1.00 5.50 H new ATOM 0 HZ2 LYS A 130 16.325 8.413 -4.330 1.00 5.50 H new ATOM 0 HZ3 LYS A 130 14.743 7.851 -4.074 1.00 5.50 H new ATOM 1784 N ALA A 131 18.449 1.570 -5.625 1.00 1.34 N ATOM 1785 CA ALA A 131 18.386 0.897 -4.292 1.00 1.46 C ATOM 1786 C ALA A 131 19.720 1.054 -3.552 1.00 1.97 C ATOM 1787 O ALA A 131 19.782 0.867 -2.359 1.00 3.10 O ATOM 1788 CB ALA A 131 18.087 -0.596 -4.476 1.00 1.20 C ATOM 0 H ALA A 131 18.273 0.967 -6.429 1.00 1.34 H new ATOM 0 HA ALA A 131 17.593 1.362 -3.707 1.00 1.46 H new ATOM 0 HB1 ALA A 131 18.042 -1.081 -3.501 1.00 1.20 H new ATOM 0 HB2 ALA A 131 17.131 -0.715 -4.985 1.00 1.20 H new ATOM 0 HB3 ALA A 131 18.875 -1.054 -5.073 1.00 1.20 H new ATOM 1794 N LYS A 132 20.771 1.394 -4.264 1.00 1.60 N ATOM 1795 CA LYS A 132 22.129 1.572 -3.655 1.00 2.12 C ATOM 1796 C LYS A 132 22.471 0.423 -2.703 1.00 2.01 C ATOM 1797 O LYS A 132 21.870 0.229 -1.668 1.00 1.76 O ATOM 1798 CB LYS A 132 22.230 2.920 -2.941 1.00 2.51 C ATOM 1799 CG LYS A 132 21.174 3.049 -1.840 1.00 2.39 C ATOM 1800 CD LYS A 132 21.397 4.356 -1.074 1.00 3.38 C ATOM 1801 CE LYS A 132 22.485 4.150 -0.017 1.00 2.48 C ATOM 1802 NZ LYS A 132 23.505 5.230 -0.136 1.00 2.74 N ATOM 0 H LYS A 132 20.741 1.560 -5.270 1.00 1.60 H new ATOM 0 HA LYS A 132 22.860 1.557 -4.464 1.00 2.12 H new ATOM 0 HB2 LYS A 132 23.224 3.031 -2.508 1.00 2.51 H new ATOM 0 HB3 LYS A 132 22.105 3.727 -3.664 1.00 2.51 H new ATOM 0 HG2 LYS A 132 20.175 3.035 -2.275 1.00 2.39 H new ATOM 0 HG3 LYS A 132 21.237 2.200 -1.159 1.00 2.39 H new ATOM 0 HD2 LYS A 132 21.690 5.148 -1.763 1.00 3.38 H new ATOM 0 HD3 LYS A 132 20.469 4.674 -0.599 1.00 3.38 H new ATOM 0 HE2 LYS A 132 22.045 4.159 0.980 1.00 2.48 H new ATOM 0 HE3 LYS A 132 22.955 3.175 -0.149 1.00 2.48 H new ATOM 0 HZ1 LYS A 132 24.244 5.090 0.582 1.00 2.74 H new ATOM 0 HZ2 LYS A 132 23.933 5.201 -1.083 1.00 2.74 H new ATOM 0 HZ3 LYS A 132 23.051 6.154 0.010 1.00 2.74 H new ATOM 1816 N ASN A 133 23.451 -0.351 -3.060 1.00 2.21 N ATOM 1817 CA ASN A 133 23.842 -1.504 -2.204 1.00 2.13 C ATOM 1818 C ASN A 133 22.626 -2.411 -2.046 1.00 1.90 C ATOM 1819 O ASN A 133 22.361 -2.950 -0.990 1.00 1.70 O ATOM 1820 CB ASN A 133 24.300 -1.007 -0.832 1.00 2.02 C ATOM 1821 CG ASN A 133 25.770 -0.586 -0.906 1.00 3.09 C ATOM 1822 OD1 ASN A 133 26.076 0.589 -0.935 1.00 4.53 O ATOM 1823 ND2 ASN A 133 26.698 -1.503 -0.940 1.00 2.58 N ATOM 0 H ASN A 133 24.002 -0.236 -3.911 1.00 2.21 H new ATOM 0 HA ASN A 133 24.665 -2.051 -2.664 1.00 2.13 H new ATOM 0 HB2 ASN A 133 23.685 -0.165 -0.515 1.00 2.02 H new ATOM 0 HB3 ASN A 133 24.173 -1.793 -0.088 1.00 2.02 H new ATOM 0 HD21 ASN A 133 27.680 -1.233 -0.991 1.00 2.58 H new ATOM 0 HD22 ASN A 133 26.441 -2.490 -0.916 1.00 2.58 H new ATOM 1830 N LEU A 134 21.885 -2.568 -3.103 1.00 1.96 N ATOM 1831 CA LEU A 134 20.672 -3.426 -3.055 1.00 1.80 C ATOM 1832 C LEU A 134 20.311 -3.866 -4.475 1.00 2.05 C ATOM 1833 O LEU A 134 20.910 -3.429 -5.438 1.00 2.60 O ATOM 1834 CB LEU A 134 19.508 -2.632 -2.459 1.00 1.53 C ATOM 1835 CG LEU A 134 19.256 -3.091 -1.024 1.00 1.54 C ATOM 1836 CD1 LEU A 134 18.747 -1.912 -0.194 1.00 2.09 C ATOM 1837 CD2 LEU A 134 18.206 -4.205 -1.021 1.00 0.74 C ATOM 0 H LEU A 134 22.069 -2.134 -4.008 1.00 1.96 H new ATOM 0 HA LEU A 134 20.868 -4.302 -2.437 1.00 1.80 H new ATOM 0 HB2 LEU A 134 19.735 -1.566 -2.476 1.00 1.53 H new ATOM 0 HB3 LEU A 134 18.611 -2.776 -3.061 1.00 1.53 H new ATOM 0 HG LEU A 134 20.185 -3.465 -0.594 1.00 1.54 H new ATOM 0 HD11 LEU A 134 18.567 -2.239 0.830 1.00 2.09 H new ATOM 0 HD12 LEU A 134 19.493 -1.117 -0.195 1.00 2.09 H new ATOM 0 HD13 LEU A 134 17.818 -1.538 -0.624 1.00 2.09 H new ATOM 0 HD21 LEU A 134 18.026 -4.533 0.003 1.00 0.74 H new ATOM 0 HD22 LEU A 134 17.277 -3.830 -1.451 1.00 0.74 H new ATOM 0 HD23 LEU A 134 18.566 -5.046 -1.613 1.00 0.74 H new ATOM 1849 N ASP A 135 19.334 -4.724 -4.606 1.00 1.76 N ATOM 1850 CA ASP A 135 18.911 -5.213 -5.955 1.00 2.01 C ATOM 1851 C ASP A 135 18.070 -6.475 -5.774 1.00 1.20 C ATOM 1852 O ASP A 135 18.417 -7.535 -6.252 1.00 1.70 O ATOM 1853 CB ASP A 135 20.135 -5.551 -6.818 1.00 3.33 C ATOM 1854 CG ASP A 135 21.185 -6.269 -5.965 1.00 2.97 C ATOM 1855 OD1 ASP A 135 21.023 -7.457 -5.741 1.00 2.32 O ATOM 1856 OD2 ASP A 135 22.130 -5.619 -5.551 1.00 3.86 O ATOM 0 H ASP A 135 18.803 -5.113 -3.826 1.00 1.76 H new ATOM 0 HA ASP A 135 18.336 -4.432 -6.452 1.00 2.01 H new ATOM 0 HB2 ASP A 135 19.839 -6.183 -7.655 1.00 3.33 H new ATOM 0 HB3 ASP A 135 20.557 -4.639 -7.241 1.00 3.33 H new ATOM 1861 N ALA A 136 16.969 -6.373 -5.084 1.00 1.09 N ATOM 1862 CA ALA A 136 16.119 -7.565 -4.874 1.00 1.91 C ATOM 1863 C ALA A 136 14.667 -7.183 -4.952 1.00 1.06 C ATOM 1864 O ALA A 136 13.880 -7.487 -4.074 1.00 1.83 O ATOM 1865 CB ALA A 136 16.393 -8.177 -3.507 1.00 3.78 C ATOM 0 H ALA A 136 16.625 -5.512 -4.658 1.00 1.09 H new ATOM 0 HA ALA A 136 16.352 -8.292 -5.652 1.00 1.91 H new ATOM 0 HB1 ALA A 136 15.760 -9.053 -3.367 1.00 3.78 H new ATOM 0 HB2 ALA A 136 17.440 -8.472 -3.444 1.00 3.78 H new ATOM 0 HB3 ALA A 136 16.175 -7.444 -2.730 1.00 3.78 H new ATOM 1871 N ILE A 137 14.297 -6.538 -6.000 1.00 1.31 N ATOM 1872 CA ILE A 137 12.886 -6.160 -6.142 1.00 2.31 C ATOM 1873 C ILE A 137 12.179 -7.286 -6.876 1.00 1.88 C ATOM 1874 O ILE A 137 11.703 -7.116 -7.981 1.00 3.01 O ATOM 1875 CB ILE A 137 12.751 -4.874 -6.948 1.00 3.51 C ATOM 1876 CG1 ILE A 137 13.461 -3.650 -6.289 1.00 4.31 C ATOM 1877 CG2 ILE A 137 11.263 -4.582 -7.075 1.00 4.28 C ATOM 1878 CD1 ILE A 137 14.334 -4.024 -5.071 1.00 2.70 C ATOM 0 H ILE A 137 14.909 -6.255 -6.765 1.00 1.31 H new ATOM 0 HA ILE A 137 12.448 -5.993 -5.158 1.00 2.31 H new ATOM 0 HB ILE A 137 13.235 -5.021 -7.914 1.00 3.51 H new ATOM 0 HG12 ILE A 137 14.085 -3.157 -7.035 1.00 4.31 H new ATOM 0 HG13 ILE A 137 12.707 -2.928 -5.977 1.00 4.31 H new ATOM 0 HG21 ILE A 137 11.120 -3.666 -7.648 1.00 4.28 H new ATOM 0 HG22 ILE A 137 10.772 -5.410 -7.586 1.00 4.28 H new ATOM 0 HG23 ILE A 137 10.830 -4.461 -6.082 1.00 4.28 H new ATOM 0 HD11 ILE A 137 14.796 -3.124 -4.665 1.00 2.70 H new ATOM 0 HD12 ILE A 137 13.712 -4.489 -4.307 1.00 2.70 H new ATOM 0 HD13 ILE A 137 15.111 -4.723 -5.381 1.00 2.70 H new ATOM 1890 N THR A 138 12.112 -8.437 -6.279 1.00 0.64 N ATOM 1891 CA THR A 138 11.440 -9.575 -6.957 1.00 0.59 C ATOM 1892 C THR A 138 10.055 -9.136 -7.436 1.00 0.33 C ATOM 1893 O THR A 138 9.586 -8.059 -7.124 1.00 0.14 O ATOM 1894 CB THR A 138 11.277 -10.756 -5.998 1.00 1.08 C ATOM 1895 OG1 THR A 138 11.802 -10.427 -4.719 1.00 1.52 O ATOM 1896 CG2 THR A 138 12.011 -11.975 -6.558 1.00 1.73 C ATOM 0 H THR A 138 12.491 -8.640 -5.354 1.00 0.64 H new ATOM 0 HA THR A 138 12.054 -9.884 -7.803 1.00 0.59 H new ATOM 0 HB THR A 138 10.216 -10.985 -5.895 1.00 1.08 H new ATOM 0 HG1 THR A 138 11.691 -11.190 -4.114 1.00 1.52 H new ATOM 0 HG21 THR A 138 11.894 -12.816 -5.874 1.00 1.73 H new ATOM 0 HG22 THR A 138 11.593 -12.237 -7.530 1.00 1.73 H new ATOM 0 HG23 THR A 138 13.070 -11.742 -6.670 1.00 1.73 H new ATOM 1904 N THR A 139 9.403 -9.967 -8.186 1.00 0.65 N ATOM 1905 CA THR A 139 8.050 -9.627 -8.690 1.00 0.83 C ATOM 1906 C THR A 139 7.218 -10.918 -8.659 1.00 0.92 C ATOM 1907 O THR A 139 6.890 -11.472 -9.689 1.00 0.63 O ATOM 1908 CB THR A 139 8.191 -9.076 -10.112 1.00 1.41 C ATOM 1909 OG1 THR A 139 8.685 -7.745 -10.047 1.00 2.32 O ATOM 1910 CG2 THR A 139 6.840 -9.076 -10.838 1.00 0.83 C ATOM 0 H THR A 139 9.753 -10.880 -8.476 1.00 0.65 H new ATOM 0 HA THR A 139 7.556 -8.869 -8.083 1.00 0.83 H new ATOM 0 HB THR A 139 8.881 -9.713 -10.665 1.00 1.41 H new ATOM 0 HG1 THR A 139 8.779 -7.386 -10.954 1.00 2.32 H new ATOM 0 HG21 THR A 139 6.968 -8.680 -11.845 1.00 0.83 H new ATOM 0 HG22 THR A 139 6.457 -10.095 -10.895 1.00 0.83 H new ATOM 0 HG23 THR A 139 6.133 -8.453 -10.291 1.00 0.83 H new ATOM 1958 N THR A 143 1.061 -12.836 -12.551 1.00 1.80 N ATOM 1959 CA THR A 143 -0.186 -13.304 -13.209 1.00 1.34 C ATOM 1960 C THR A 143 -1.159 -13.718 -12.116 1.00 1.16 C ATOM 1961 O THR A 143 -2.352 -13.520 -12.220 1.00 0.91 O ATOM 1962 CB THR A 143 0.126 -14.498 -14.108 1.00 1.29 C ATOM 1963 OG1 THR A 143 0.365 -15.645 -13.303 1.00 1.94 O ATOM 1964 CG2 THR A 143 1.367 -14.188 -14.941 1.00 1.41 C ATOM 0 HA THR A 143 -0.618 -12.513 -13.822 1.00 1.34 H new ATOM 0 HB THR A 143 -0.718 -14.692 -14.770 1.00 1.29 H new ATOM 0 HG1 THR A 143 0.564 -16.413 -13.878 1.00 1.94 H new ATOM 0 HG21 THR A 143 1.594 -15.037 -15.585 1.00 1.41 H new ATOM 0 HG22 THR A 143 1.182 -13.306 -15.555 1.00 1.41 H new ATOM 0 HG23 THR A 143 2.212 -13.998 -14.279 1.00 1.41 H new ATOM 1972 N THR A 144 -0.649 -14.263 -11.043 1.00 1.37 N ATOM 1973 CA THR A 144 -1.544 -14.646 -9.927 1.00 1.28 C ATOM 1974 C THR A 144 -2.161 -13.361 -9.377 1.00 1.10 C ATOM 1975 O THR A 144 -3.244 -13.364 -8.826 1.00 1.01 O ATOM 1976 CB THR A 144 -0.745 -15.359 -8.835 1.00 1.59 C ATOM 1977 OG1 THR A 144 -0.199 -16.561 -9.360 1.00 2.11 O ATOM 1978 CG2 THR A 144 -1.666 -15.686 -7.658 1.00 1.59 C ATOM 0 H THR A 144 0.342 -14.456 -10.897 1.00 1.37 H new ATOM 0 HA THR A 144 -2.322 -15.327 -10.272 1.00 1.28 H new ATOM 0 HB THR A 144 0.062 -14.712 -8.492 1.00 1.59 H new ATOM 0 HG1 THR A 144 0.315 -17.019 -8.662 1.00 2.11 H new ATOM 0 HG21 THR A 144 -1.096 -16.194 -6.880 1.00 1.59 H new ATOM 0 HG22 THR A 144 -2.085 -14.763 -7.257 1.00 1.59 H new ATOM 0 HG23 THR A 144 -2.474 -16.334 -7.997 1.00 1.59 H new ATOM 1986 N ASN A 145 -1.485 -12.251 -9.553 1.00 1.06 N ATOM 1987 CA ASN A 145 -2.044 -10.960 -9.077 1.00 0.90 C ATOM 1988 C ASN A 145 -3.266 -10.645 -9.929 1.00 0.78 C ATOM 1989 O ASN A 145 -4.233 -10.100 -9.461 1.00 0.84 O ATOM 1990 CB ASN A 145 -1.005 -9.848 -9.229 1.00 0.94 C ATOM 1991 CG ASN A 145 -0.570 -9.371 -7.844 1.00 0.99 C ATOM 1992 OD1 ASN A 145 0.601 -9.163 -7.598 1.00 1.13 O ATOM 1993 ND2 ASN A 145 -1.473 -9.190 -6.921 1.00 0.91 N ATOM 0 H ASN A 145 -0.573 -12.190 -10.005 1.00 1.06 H new ATOM 0 HA ASN A 145 -2.316 -11.030 -8.024 1.00 0.90 H new ATOM 0 HB2 ASN A 145 -0.143 -10.213 -9.788 1.00 0.94 H new ATOM 0 HB3 ASN A 145 -1.424 -9.018 -9.797 1.00 0.94 H new ATOM 0 HD21 ASN A 145 -1.196 -8.874 -5.992 1.00 0.91 H new ATOM 0 HD22 ASN A 145 -2.456 -9.365 -7.128 1.00 0.91 H new ATOM 2000 N ALA A 146 -3.228 -11.016 -11.179 1.00 0.64 N ATOM 2001 CA ALA A 146 -4.397 -10.774 -12.067 1.00 0.54 C ATOM 2002 C ALA A 146 -5.603 -11.508 -11.477 1.00 0.43 C ATOM 2003 O ALA A 146 -6.739 -11.134 -11.687 1.00 0.26 O ATOM 2004 CB ALA A 146 -4.085 -11.316 -13.465 1.00 0.64 C ATOM 0 H ALA A 146 -2.435 -11.478 -11.624 1.00 0.64 H new ATOM 0 HA ALA A 146 -4.612 -9.708 -12.141 1.00 0.54 H new ATOM 0 HB1 ALA A 146 -4.938 -11.142 -14.121 1.00 0.64 H new ATOM 0 HB2 ALA A 146 -3.209 -10.806 -13.866 1.00 0.64 H new ATOM 0 HB3 ALA A 146 -3.886 -12.386 -13.404 1.00 0.64 H new ATOM 2010 N SER A 147 -5.357 -12.550 -10.726 1.00 0.56 N ATOM 2011 CA SER A 147 -6.479 -13.305 -10.105 1.00 0.54 C ATOM 2012 C SER A 147 -6.870 -12.622 -8.790 1.00 0.52 C ATOM 2013 O SER A 147 -8.015 -12.642 -8.383 1.00 0.52 O ATOM 2014 CB SER A 147 -6.038 -14.744 -9.830 1.00 0.66 C ATOM 2015 OG SER A 147 -6.098 -15.492 -11.036 1.00 0.65 O ATOM 0 H SER A 147 -4.425 -12.909 -10.517 1.00 0.56 H new ATOM 0 HA SER A 147 -7.335 -13.319 -10.780 1.00 0.54 H new ATOM 0 HB2 SER A 147 -5.024 -14.756 -9.431 1.00 0.66 H new ATOM 0 HB3 SER A 147 -6.682 -15.196 -9.076 1.00 0.66 H new ATOM 0 HG SER A 147 -5.814 -16.414 -10.864 1.00 0.65 H new ATOM 2021 N LEU A 148 -5.937 -11.999 -8.121 1.00 0.51 N ATOM 2022 CA LEU A 148 -6.293 -11.303 -6.855 1.00 0.50 C ATOM 2023 C LEU A 148 -7.245 -10.166 -7.212 1.00 0.43 C ATOM 2024 O LEU A 148 -8.262 -9.984 -6.590 1.00 0.43 O ATOM 2025 CB LEU A 148 -5.023 -10.737 -6.183 1.00 0.52 C ATOM 2026 CG LEU A 148 -5.380 -9.572 -5.238 1.00 0.52 C ATOM 2027 CD1 LEU A 148 -6.264 -10.073 -4.099 1.00 0.57 C ATOM 2028 CD2 LEU A 148 -4.108 -8.979 -4.656 1.00 0.66 C ATOM 0 H LEU A 148 -4.956 -11.943 -8.393 1.00 0.51 H new ATOM 0 HA LEU A 148 -6.763 -11.995 -6.157 1.00 0.50 H new ATOM 0 HB2 LEU A 148 -4.520 -11.525 -5.623 1.00 0.52 H new ATOM 0 HB3 LEU A 148 -4.325 -10.392 -6.946 1.00 0.52 H new ATOM 0 HG LEU A 148 -5.917 -8.811 -5.805 1.00 0.52 H new ATOM 0 HD11 LEU A 148 -6.510 -9.243 -3.437 1.00 0.57 H new ATOM 0 HD12 LEU A 148 -7.182 -10.495 -4.509 1.00 0.57 H new ATOM 0 HD13 LEU A 148 -5.732 -10.840 -3.536 1.00 0.57 H new ATOM 0 HD21 LEU A 148 -4.363 -8.156 -3.988 1.00 0.66 H new ATOM 0 HD22 LEU A 148 -3.571 -9.746 -4.098 1.00 0.66 H new ATOM 0 HD23 LEU A 148 -3.476 -8.609 -5.464 1.00 0.66 H new ATOM 2040 N LEU A 149 -6.895 -9.402 -8.207 1.00 0.37 N ATOM 2041 CA LEU A 149 -7.742 -8.263 -8.634 1.00 0.28 C ATOM 2042 C LEU A 149 -9.062 -8.809 -9.163 1.00 0.24 C ATOM 2043 O LEU A 149 -10.115 -8.275 -8.894 1.00 0.24 O ATOM 2044 CB LEU A 149 -7.011 -7.497 -9.739 1.00 0.23 C ATOM 2045 CG LEU A 149 -7.901 -6.383 -10.285 1.00 0.19 C ATOM 2046 CD1 LEU A 149 -8.261 -5.418 -9.155 1.00 0.34 C ATOM 2047 CD2 LEU A 149 -7.139 -5.634 -11.381 1.00 0.24 C ATOM 0 H LEU A 149 -6.041 -9.524 -8.751 1.00 0.37 H new ATOM 0 HA LEU A 149 -7.937 -7.592 -7.797 1.00 0.28 H new ATOM 0 HB2 LEU A 149 -6.086 -7.074 -9.348 1.00 0.23 H new ATOM 0 HB3 LEU A 149 -6.735 -8.179 -10.543 1.00 0.23 H new ATOM 0 HG LEU A 149 -8.817 -6.806 -10.697 1.00 0.19 H new ATOM 0 HD11 LEU A 149 -8.896 -4.623 -9.544 1.00 0.34 H new ATOM 0 HD12 LEU A 149 -8.794 -5.957 -8.372 1.00 0.34 H new ATOM 0 HD13 LEU A 149 -7.350 -4.985 -8.742 1.00 0.34 H new ATOM 0 HD21 LEU A 149 -7.765 -4.835 -11.779 1.00 0.24 H new ATOM 0 HD22 LEU A 149 -6.228 -5.206 -10.963 1.00 0.24 H new ATOM 0 HD23 LEU A 149 -6.881 -6.326 -12.183 1.00 0.24 H new ATOM 2059 N THR A 150 -9.018 -9.888 -9.899 1.00 0.20 N ATOM 2060 CA THR A 150 -10.283 -10.472 -10.412 1.00 0.18 C ATOM 2061 C THR A 150 -11.084 -11.007 -9.209 1.00 0.19 C ATOM 2062 O THR A 150 -12.275 -11.230 -9.290 1.00 0.17 O ATOM 2063 CB THR A 150 -9.958 -11.577 -11.453 1.00 0.17 C ATOM 2064 OG1 THR A 150 -10.940 -11.550 -12.479 1.00 0.38 O ATOM 2065 CG2 THR A 150 -9.933 -12.978 -10.825 1.00 0.44 C ATOM 0 H THR A 150 -8.167 -10.384 -10.163 1.00 0.20 H new ATOM 0 HA THR A 150 -10.891 -9.725 -10.923 1.00 0.18 H new ATOM 0 HB THR A 150 -8.965 -11.373 -11.854 1.00 0.17 H new ATOM 0 HG1 THR A 150 -10.740 -12.244 -13.141 1.00 0.38 H new ATOM 0 HG21 THR A 150 -9.702 -13.717 -11.592 1.00 0.44 H new ATOM 0 HG22 THR A 150 -9.172 -13.014 -10.046 1.00 0.44 H new ATOM 0 HG23 THR A 150 -10.908 -13.199 -10.391 1.00 0.44 H new ATOM 2073 N LYS A 151 -10.426 -11.196 -8.089 1.00 0.26 N ATOM 2074 CA LYS A 151 -11.124 -11.694 -6.872 1.00 0.29 C ATOM 2075 C LYS A 151 -11.725 -10.508 -6.104 1.00 0.30 C ATOM 2076 O LYS A 151 -12.790 -10.612 -5.528 1.00 0.31 O ATOM 2077 CB LYS A 151 -10.123 -12.427 -5.973 1.00 0.39 C ATOM 2078 CG LYS A 151 -10.863 -13.083 -4.805 1.00 0.45 C ATOM 2079 CD LYS A 151 -9.929 -13.180 -3.597 1.00 0.44 C ATOM 2080 CE LYS A 151 -10.206 -12.020 -2.637 1.00 0.99 C ATOM 2081 NZ LYS A 151 -11.558 -12.187 -2.029 1.00 1.83 N ATOM 0 H LYS A 151 -9.428 -11.024 -7.970 1.00 0.26 H new ATOM 0 HA LYS A 151 -11.920 -12.379 -7.165 1.00 0.29 H new ATOM 0 HB2 LYS A 151 -9.589 -13.183 -6.548 1.00 0.39 H new ATOM 0 HB3 LYS A 151 -9.377 -11.727 -5.596 1.00 0.39 H new ATOM 0 HG2 LYS A 151 -11.747 -12.500 -4.548 1.00 0.45 H new ATOM 0 HG3 LYS A 151 -11.208 -14.076 -5.092 1.00 0.45 H new ATOM 0 HD2 LYS A 151 -10.077 -14.131 -3.086 1.00 0.44 H new ATOM 0 HD3 LYS A 151 -8.890 -13.153 -3.925 1.00 0.44 H new ATOM 0 HE2 LYS A 151 -9.446 -11.991 -1.856 1.00 0.99 H new ATOM 0 HE3 LYS A 151 -10.151 -11.071 -3.171 1.00 0.99 H new ATOM 0 HZ1 LYS A 151 -11.630 -11.598 -1.175 1.00 1.83 H new ATOM 0 HZ2 LYS A 151 -12.285 -11.895 -2.713 1.00 1.83 H new ATOM 0 HZ3 LYS A 151 -11.703 -13.185 -1.775 1.00 1.83 H new ATOM 2095 N LEU A 152 -11.062 -9.374 -6.097 1.00 0.33 N ATOM 2096 CA LEU A 152 -11.626 -8.197 -5.375 1.00 0.38 C ATOM 2097 C LEU A 152 -12.847 -7.723 -6.152 1.00 0.35 C ATOM 2098 O LEU A 152 -13.821 -7.256 -5.594 1.00 0.43 O ATOM 2099 CB LEU A 152 -10.616 -7.034 -5.312 1.00 0.43 C ATOM 2100 CG LEU A 152 -9.168 -7.534 -5.296 1.00 0.38 C ATOM 2101 CD1 LEU A 152 -8.223 -6.355 -5.061 1.00 0.58 C ATOM 2102 CD2 LEU A 152 -8.978 -8.558 -4.180 1.00 0.48 C ATOM 0 H LEU A 152 -10.165 -9.217 -6.556 1.00 0.33 H new ATOM 0 HA LEU A 152 -11.874 -8.493 -4.356 1.00 0.38 H new ATOM 0 HB2 LEU A 152 -10.764 -6.378 -6.170 1.00 0.43 H new ATOM 0 HB3 LEU A 152 -10.804 -6.438 -4.419 1.00 0.43 H new ATOM 0 HG LEU A 152 -8.946 -8.002 -6.255 1.00 0.38 H new ATOM 0 HD11 LEU A 152 -7.193 -6.711 -5.050 1.00 0.58 H new ATOM 0 HD12 LEU A 152 -8.346 -5.625 -5.861 1.00 0.58 H new ATOM 0 HD13 LEU A 152 -8.456 -5.887 -4.104 1.00 0.58 H new ATOM 0 HD21 LEU A 152 -7.945 -8.907 -4.178 1.00 0.48 H new ATOM 0 HD22 LEU A 152 -9.207 -8.096 -3.220 1.00 0.48 H new ATOM 0 HD23 LEU A 152 -9.646 -9.404 -4.344 1.00 0.48 H new ATOM 2114 N GLN A 153 -12.786 -7.838 -7.448 1.00 0.29 N ATOM 2115 CA GLN A 153 -13.920 -7.398 -8.296 1.00 0.31 C ATOM 2116 C GLN A 153 -14.986 -8.494 -8.356 1.00 0.28 C ATOM 2117 O GLN A 153 -16.111 -8.255 -8.748 1.00 0.37 O ATOM 2118 CB GLN A 153 -13.407 -7.102 -9.706 1.00 0.32 C ATOM 2119 CG GLN A 153 -12.782 -5.708 -9.740 1.00 0.32 C ATOM 2120 CD GLN A 153 -13.153 -5.014 -11.052 1.00 0.53 C ATOM 2121 OE1 GLN A 153 -14.179 -5.303 -11.636 1.00 1.00 O ATOM 2122 NE2 GLN A 153 -12.356 -4.106 -11.544 1.00 0.75 N ATOM 0 H GLN A 153 -11.990 -8.222 -7.958 1.00 0.29 H new ATOM 0 HA GLN A 153 -14.363 -6.498 -7.869 1.00 0.31 H new ATOM 0 HB2 GLN A 153 -12.670 -7.849 -10.001 1.00 0.32 H new ATOM 0 HB3 GLN A 153 -14.226 -7.162 -10.422 1.00 0.32 H new ATOM 0 HG2 GLN A 153 -13.134 -5.119 -8.893 1.00 0.32 H new ATOM 0 HG3 GLN A 153 -11.698 -5.781 -9.649 1.00 0.32 H new ATOM 0 HE21 GLN A 153 -11.495 -3.863 -11.054 1.00 0.75 H new ATOM 0 HE22 GLN A 153 -12.594 -3.639 -12.419 1.00 0.75 H new ATOM 2131 N ALA A 154 -14.648 -9.696 -7.969 1.00 0.27 N ATOM 2132 CA ALA A 154 -15.648 -10.800 -8.005 1.00 0.30 C ATOM 2133 C ALA A 154 -16.370 -10.884 -6.656 1.00 0.31 C ATOM 2134 O ALA A 154 -16.735 -11.952 -6.205 1.00 0.45 O ATOM 2135 CB ALA A 154 -14.933 -12.124 -8.281 1.00 0.33 C ATOM 0 H ALA A 154 -13.723 -9.959 -7.630 1.00 0.27 H new ATOM 0 HA ALA A 154 -16.375 -10.605 -8.794 1.00 0.30 H new ATOM 0 HB1 ALA A 154 -15.663 -12.933 -8.308 1.00 0.33 H new ATOM 0 HB2 ALA A 154 -14.419 -12.067 -9.241 1.00 0.33 H new ATOM 0 HB3 ALA A 154 -14.207 -12.317 -7.492 1.00 0.33 H new ATOM 2141 N GLN A 155 -16.579 -9.769 -6.010 1.00 0.59 N ATOM 2142 CA GLN A 155 -17.276 -9.787 -4.693 1.00 0.64 C ATOM 2143 C GLN A 155 -18.572 -8.979 -4.802 1.00 0.69 C ATOM 2144 O GLN A 155 -18.715 -8.131 -5.660 1.00 0.74 O ATOM 2145 CB GLN A 155 -16.373 -9.159 -3.623 1.00 0.56 C ATOM 2146 CG GLN A 155 -14.933 -9.650 -3.803 1.00 0.58 C ATOM 2147 CD GLN A 155 -14.439 -10.277 -2.498 1.00 0.66 C ATOM 2148 OE1 GLN A 155 -15.035 -11.209 -1.996 1.00 0.67 O ATOM 2149 NE2 GLN A 155 -13.364 -9.805 -1.928 1.00 1.09 N ATOM 0 H GLN A 155 -16.297 -8.845 -6.338 1.00 0.59 H new ATOM 0 HA GLN A 155 -17.503 -10.816 -4.414 1.00 0.64 H new ATOM 0 HB2 GLN A 155 -16.408 -8.072 -3.697 1.00 0.56 H new ATOM 0 HB3 GLN A 155 -16.735 -9.422 -2.629 1.00 0.56 H new ATOM 0 HG2 GLN A 155 -14.885 -10.381 -4.610 1.00 0.58 H new ATOM 0 HG3 GLN A 155 -14.287 -8.819 -4.087 1.00 0.58 H new ATOM 0 HE21 GLN A 155 -12.864 -9.022 -2.350 1.00 1.09 H new ATOM 0 HE22 GLN A 155 -13.023 -10.219 -1.060 1.00 1.09 H new ATOM 2158 N ASN A 156 -19.518 -9.230 -3.937 1.00 0.73 N ATOM 2159 CA ASN A 156 -20.799 -8.470 -3.995 1.00 0.79 C ATOM 2160 C ASN A 156 -20.499 -6.973 -3.914 1.00 0.75 C ATOM 2161 O ASN A 156 -19.400 -6.571 -3.594 1.00 0.63 O ATOM 2162 CB ASN A 156 -21.688 -8.879 -2.819 1.00 0.94 C ATOM 2163 CG ASN A 156 -22.215 -10.296 -3.047 1.00 0.75 C ATOM 2164 OD1 ASN A 156 -22.994 -10.528 -3.950 1.00 1.13 O ATOM 2165 ND2 ASN A 156 -21.819 -11.262 -2.264 1.00 0.48 N ATOM 0 H ASN A 156 -19.459 -9.927 -3.195 1.00 0.73 H new ATOM 0 HA ASN A 156 -21.315 -8.689 -4.930 1.00 0.79 H new ATOM 0 HB2 ASN A 156 -21.122 -8.836 -1.889 1.00 0.94 H new ATOM 0 HB3 ASN A 156 -22.520 -8.182 -2.719 1.00 0.94 H new ATOM 0 HD21 ASN A 156 -22.163 -12.211 -2.410 1.00 0.48 H new ATOM 0 HD22 ASN A 156 -21.165 -11.068 -1.506 1.00 0.48 H new ATOM 2172 N GLN A 157 -21.464 -6.142 -4.198 1.00 0.93 N ATOM 2173 CA GLN A 157 -21.221 -4.673 -4.129 1.00 0.94 C ATOM 2174 C GLN A 157 -20.803 -4.297 -2.708 1.00 1.04 C ATOM 2175 O GLN A 157 -20.059 -3.361 -2.493 1.00 1.05 O ATOM 2176 CB GLN A 157 -22.504 -3.927 -4.492 1.00 1.06 C ATOM 2177 CG GLN A 157 -22.236 -2.421 -4.485 1.00 1.28 C ATOM 2178 CD GLN A 157 -23.259 -1.718 -5.378 1.00 1.43 C ATOM 2179 OE1 GLN A 157 -24.433 -1.689 -5.069 1.00 1.83 O ATOM 2180 NE2 GLN A 157 -22.860 -1.145 -6.481 1.00 1.89 N ATOM 0 H GLN A 157 -22.407 -6.415 -4.474 1.00 0.93 H new ATOM 0 HA GLN A 157 -20.431 -4.401 -4.829 1.00 0.94 H new ATOM 0 HB2 GLN A 157 -22.854 -4.241 -5.475 1.00 1.06 H new ATOM 0 HB3 GLN A 157 -23.293 -4.170 -3.780 1.00 1.06 H new ATOM 0 HG2 GLN A 157 -22.298 -2.034 -3.468 1.00 1.28 H new ATOM 0 HG3 GLN A 157 -21.226 -2.219 -4.842 1.00 1.28 H new ATOM 0 HE21 GLN A 157 -21.874 -1.169 -6.741 1.00 1.89 H new ATOM 0 HE22 GLN A 157 -23.534 -0.673 -7.083 1.00 1.89 H new ATOM 2189 N TRP A 158 -21.282 -5.021 -1.735 1.00 1.12 N ATOM 2190 CA TRP A 158 -20.924 -4.713 -0.321 1.00 1.23 C ATOM 2191 C TRP A 158 -19.433 -4.988 -0.093 1.00 1.14 C ATOM 2192 O TRP A 158 -18.667 -4.097 0.223 1.00 1.13 O ATOM 2193 CB TRP A 158 -21.755 -5.595 0.612 1.00 1.38 C ATOM 2194 CG TRP A 158 -21.506 -5.189 2.029 1.00 1.58 C ATOM 2195 CD1 TRP A 158 -20.416 -5.530 2.751 1.00 1.45 C ATOM 2196 CD2 TRP A 158 -22.341 -4.376 2.907 1.00 1.96 C ATOM 2197 NE1 TRP A 158 -20.525 -4.980 4.015 1.00 1.72 N ATOM 2198 CE2 TRP A 158 -21.694 -4.261 4.161 1.00 2.03 C ATOM 2199 CE3 TRP A 158 -23.583 -3.735 2.742 1.00 2.23 C ATOM 2200 CZ2 TRP A 158 -22.256 -3.535 5.211 1.00 2.37 C ATOM 2201 CZ3 TRP A 158 -24.152 -3.003 3.798 1.00 2.57 C ATOM 2202 CH2 TRP A 158 -23.489 -2.905 5.030 1.00 2.64 C ATOM 0 H TRP A 158 -21.909 -5.816 -1.858 1.00 1.12 H new ATOM 0 HA TRP A 158 -21.130 -3.663 -0.114 1.00 1.23 H new ATOM 0 HB2 TRP A 158 -22.814 -5.498 0.375 1.00 1.38 H new ATOM 0 HB3 TRP A 158 -21.491 -6.643 0.470 1.00 1.38 H new ATOM 0 HD1 TRP A 158 -19.593 -6.134 2.398 1.00 1.45 H new ATOM 0 HE1 TRP A 158 -19.827 -5.092 4.750 1.00 1.72 H new ATOM 0 HE3 TRP A 158 -24.102 -3.806 1.798 1.00 2.23 H new ATOM 0 HZ2 TRP A 158 -21.741 -3.461 6.157 1.00 2.37 H new ATOM 0 HZ3 TRP A 158 -25.105 -2.513 3.660 1.00 2.57 H new ATOM 0 HH2 TRP A 158 -23.932 -2.342 5.839 1.00 2.64 H new ATOM 2213 N LEU A 159 -19.016 -6.214 -0.248 1.00 1.09 N ATOM 2214 CA LEU A 159 -17.578 -6.547 -0.041 1.00 1.02 C ATOM 2215 C LEU A 159 -16.716 -5.745 -1.021 1.00 0.89 C ATOM 2216 O LEU A 159 -15.528 -5.586 -0.827 1.00 0.80 O ATOM 2217 CB LEU A 159 -17.364 -8.042 -0.278 1.00 1.03 C ATOM 2218 CG LEU A 159 -18.336 -8.841 0.594 1.00 1.60 C ATOM 2219 CD1 LEU A 159 -18.861 -10.042 -0.193 1.00 1.89 C ATOM 2220 CD2 LEU A 159 -17.609 -9.332 1.847 1.00 1.59 C ATOM 0 H LEU A 159 -19.610 -7.001 -0.509 1.00 1.09 H new ATOM 0 HA LEU A 159 -17.291 -6.294 0.980 1.00 1.02 H new ATOM 0 HB2 LEU A 159 -17.522 -8.281 -1.330 1.00 1.03 H new ATOM 0 HB3 LEU A 159 -16.336 -8.315 -0.040 1.00 1.03 H new ATOM 0 HG LEU A 159 -19.172 -8.204 0.883 1.00 1.60 H new ATOM 0 HD11 LEU A 159 -19.553 -10.610 0.429 1.00 1.89 H new ATOM 0 HD12 LEU A 159 -19.379 -9.693 -1.087 1.00 1.89 H new ATOM 0 HD13 LEU A 159 -18.026 -10.680 -0.483 1.00 1.89 H new ATOM 0 HD21 LEU A 159 -18.300 -9.901 2.469 1.00 1.59 H new ATOM 0 HD22 LEU A 159 -16.773 -9.969 1.557 1.00 1.59 H new ATOM 0 HD23 LEU A 159 -17.235 -8.476 2.409 1.00 1.59 H new ATOM 2232 N GLN A 160 -17.305 -5.233 -2.067 1.00 0.88 N ATOM 2233 CA GLN A 160 -16.518 -4.436 -3.048 1.00 0.77 C ATOM 2234 C GLN A 160 -16.279 -3.042 -2.469 1.00 0.86 C ATOM 2235 O GLN A 160 -15.245 -2.438 -2.674 1.00 0.91 O ATOM 2236 CB GLN A 160 -17.302 -4.317 -4.358 1.00 0.68 C ATOM 2237 CG GLN A 160 -16.634 -5.174 -5.436 1.00 0.52 C ATOM 2238 CD GLN A 160 -16.666 -4.429 -6.773 1.00 0.77 C ATOM 2239 OE1 GLN A 160 -15.645 -4.259 -7.412 1.00 1.70 O ATOM 2240 NE2 GLN A 160 -17.802 -3.973 -7.226 1.00 1.01 N ATOM 0 H GLN A 160 -18.297 -5.332 -2.284 1.00 0.88 H new ATOM 0 HA GLN A 160 -15.565 -4.926 -3.245 1.00 0.77 H new ATOM 0 HB2 GLN A 160 -18.332 -4.641 -4.208 1.00 0.68 H new ATOM 0 HB3 GLN A 160 -17.339 -3.276 -4.678 1.00 0.68 H new ATOM 0 HG2 GLN A 160 -15.604 -5.394 -5.155 1.00 0.52 H new ATOM 0 HG3 GLN A 160 -17.150 -6.130 -5.528 1.00 0.52 H new ATOM 0 HE21 GLN A 160 -18.659 -4.115 -6.691 1.00 1.01 H new ATOM 0 HE22 GLN A 160 -17.833 -3.474 -8.115 1.00 1.01 H new ATOM 2249 N ASP A 161 -17.233 -2.532 -1.739 1.00 0.90 N ATOM 2250 CA ASP A 161 -17.075 -1.182 -1.137 1.00 1.00 C ATOM 2251 C ASP A 161 -16.161 -1.271 0.089 1.00 1.09 C ATOM 2252 O ASP A 161 -15.593 -0.288 0.520 1.00 1.25 O ATOM 2253 CB ASP A 161 -18.447 -0.653 -0.714 1.00 1.17 C ATOM 2254 CG ASP A 161 -18.416 0.876 -0.671 1.00 1.55 C ATOM 2255 OD1 ASP A 161 -18.518 1.481 -1.726 1.00 2.65 O ATOM 2256 OD2 ASP A 161 -18.293 1.417 0.415 1.00 1.07 O ATOM 0 H ASP A 161 -18.118 -2.996 -1.534 1.00 0.90 H new ATOM 0 HA ASP A 161 -16.632 -0.506 -1.869 1.00 1.00 H new ATOM 0 HB2 ASP A 161 -19.210 -0.992 -1.414 1.00 1.17 H new ATOM 0 HB3 ASP A 161 -18.715 -1.049 0.266 1.00 1.17 H new ATOM 2261 N MET A 162 -16.016 -2.440 0.660 1.00 1.02 N ATOM 2262 CA MET A 162 -15.138 -2.573 1.858 1.00 1.13 C ATOM 2263 C MET A 162 -13.693 -2.832 1.407 1.00 0.92 C ATOM 2264 O MET A 162 -12.755 -2.420 2.058 1.00 0.90 O ATOM 2265 CB MET A 162 -15.679 -3.713 2.765 1.00 1.35 C ATOM 2266 CG MET A 162 -14.673 -4.873 2.933 1.00 1.15 C ATOM 2267 SD MET A 162 -13.334 -4.374 4.050 1.00 1.74 S ATOM 2268 CE MET A 162 -11.938 -4.828 2.982 1.00 1.00 C ATOM 0 H MET A 162 -16.465 -3.302 0.350 1.00 1.02 H new ATOM 0 HA MET A 162 -15.143 -1.651 2.440 1.00 1.13 H new ATOM 0 HB2 MET A 162 -15.924 -3.305 3.746 1.00 1.35 H new ATOM 0 HB3 MET A 162 -16.605 -4.100 2.341 1.00 1.35 H new ATOM 0 HG2 MET A 162 -15.181 -5.752 3.330 1.00 1.15 H new ATOM 0 HG3 MET A 162 -14.263 -5.154 1.963 1.00 1.15 H new ATOM 0 HE1 MET A 162 -11.323 -5.574 3.485 1.00 1.00 H new ATOM 0 HE2 MET A 162 -12.315 -5.240 2.046 1.00 1.00 H new ATOM 0 HE3 MET A 162 -11.337 -3.943 2.773 1.00 1.00 H new ATOM 2278 N THR A 163 -13.505 -3.520 0.312 1.00 0.78 N ATOM 2279 CA THR A 163 -12.117 -3.812 -0.160 1.00 0.63 C ATOM 2280 C THR A 163 -11.284 -2.527 -0.150 1.00 0.47 C ATOM 2281 O THR A 163 -10.145 -2.522 0.268 1.00 0.38 O ATOM 2282 CB THR A 163 -12.165 -4.388 -1.577 1.00 0.49 C ATOM 2283 OG1 THR A 163 -12.886 -5.613 -1.561 1.00 0.53 O ATOM 2284 CG2 THR A 163 -10.741 -4.641 -2.075 1.00 0.48 C ATOM 0 H THR A 163 -14.251 -3.892 -0.276 1.00 0.78 H new ATOM 0 HA THR A 163 -11.657 -4.540 0.508 1.00 0.63 H new ATOM 0 HB THR A 163 -12.660 -3.680 -2.242 1.00 0.49 H new ATOM 0 HG1 THR A 163 -12.911 -5.966 -0.647 1.00 0.53 H new ATOM 0 HG21 THR A 163 -10.776 -5.051 -3.084 1.00 0.48 H new ATOM 0 HG22 THR A 163 -10.187 -3.703 -2.084 1.00 0.48 H new ATOM 0 HG23 THR A 163 -10.244 -5.350 -1.412 1.00 0.48 H new ATOM 2292 N THR A 164 -11.845 -1.434 -0.592 1.00 0.47 N ATOM 2293 CA THR A 164 -11.077 -0.158 -0.588 1.00 0.34 C ATOM 2294 C THR A 164 -10.648 0.163 0.847 1.00 0.27 C ATOM 2295 O THR A 164 -9.545 0.600 1.091 1.00 0.14 O ATOM 2296 CB THR A 164 -11.955 0.976 -1.127 1.00 0.44 C ATOM 2297 OG1 THR A 164 -11.260 2.209 -0.998 1.00 1.98 O ATOM 2298 CG2 THR A 164 -13.261 1.041 -0.335 1.00 1.69 C ATOM 0 H THR A 164 -12.797 -1.370 -0.954 1.00 0.47 H new ATOM 0 HA THR A 164 -10.196 -0.259 -1.222 1.00 0.34 H new ATOM 0 HB THR A 164 -12.182 0.790 -2.177 1.00 0.44 H new ATOM 0 HG1 THR A 164 -11.744 2.910 -1.483 1.00 1.98 H new ATOM 0 HG21 THR A 164 -13.882 1.849 -0.722 1.00 1.69 H new ATOM 0 HG22 THR A 164 -13.794 0.095 -0.433 1.00 1.69 H new ATOM 0 HG23 THR A 164 -13.040 1.225 0.716 1.00 1.69 H new ATOM 2306 N HIS A 165 -11.520 -0.047 1.795 1.00 0.41 N ATOM 2307 CA HIS A 165 -11.181 0.243 3.221 1.00 0.35 C ATOM 2308 C HIS A 165 -9.911 -0.523 3.640 1.00 0.24 C ATOM 2309 O HIS A 165 -8.908 0.073 3.979 1.00 0.15 O ATOM 2310 CB HIS A 165 -12.375 -0.170 4.107 1.00 0.45 C ATOM 2311 CG HIS A 165 -11.973 -0.237 5.561 1.00 0.37 C ATOM 2312 ND1 HIS A 165 -12.380 -1.274 6.386 1.00 0.68 N ATOM 2313 CD2 HIS A 165 -11.197 0.582 6.343 1.00 0.74 C ATOM 2314 CE1 HIS A 165 -11.852 -1.056 7.602 1.00 0.51 C ATOM 2315 NE2 HIS A 165 -11.122 0.063 7.633 1.00 0.69 N ATOM 0 H HIS A 165 -12.461 -0.410 1.643 1.00 0.41 H new ATOM 0 HA HIS A 165 -10.985 1.308 3.341 1.00 0.35 H new ATOM 0 HB2 HIS A 165 -13.188 0.545 3.984 1.00 0.45 H new ATOM 0 HB3 HIS A 165 -12.752 -1.141 3.785 1.00 0.45 H new ATOM 0 HD2 HIS A 165 -10.718 1.490 6.009 1.00 0.74 H new ATOM 0 HE1 HIS A 165 -12.000 -1.706 8.452 1.00 0.51 H new ATOM 0 HE2 HIS A 165 -10.618 0.453 8.430 1.00 0.69 H new ATOM 2323 N LEU A 166 -9.948 -1.832 3.647 1.00 0.30 N ATOM 2324 CA LEU A 166 -8.736 -2.607 4.079 1.00 0.30 C ATOM 2325 C LEU A 166 -7.500 -2.120 3.333 1.00 0.28 C ATOM 2326 O LEU A 166 -6.425 -2.028 3.893 1.00 0.30 O ATOM 2327 CB LEU A 166 -8.913 -4.098 3.790 1.00 0.36 C ATOM 2328 CG LEU A 166 -9.354 -4.828 5.062 1.00 1.47 C ATOM 2329 CD1 LEU A 166 -8.256 -4.716 6.120 1.00 1.31 C ATOM 2330 CD2 LEU A 166 -10.644 -4.204 5.603 1.00 2.59 C ATOM 0 H LEU A 166 -10.754 -2.396 3.376 1.00 0.30 H new ATOM 0 HA LEU A 166 -8.612 -2.452 5.151 1.00 0.30 H new ATOM 0 HB2 LEU A 166 -9.655 -4.239 3.004 1.00 0.36 H new ATOM 0 HB3 LEU A 166 -7.977 -4.520 3.424 1.00 0.36 H new ATOM 0 HG LEU A 166 -9.534 -5.877 4.827 1.00 1.47 H new ATOM 0 HD11 LEU A 166 -8.569 -5.235 7.026 1.00 1.31 H new ATOM 0 HD12 LEU A 166 -7.339 -5.167 5.742 1.00 1.31 H new ATOM 0 HD13 LEU A 166 -8.076 -3.665 6.348 1.00 1.31 H new ATOM 0 HD21 LEU A 166 -10.951 -4.729 6.508 1.00 2.59 H new ATOM 0 HD22 LEU A 166 -10.471 -3.153 5.835 1.00 2.59 H new ATOM 0 HD23 LEU A 166 -11.430 -4.285 4.852 1.00 2.59 H new ATOM 2342 N ILE A 167 -7.629 -1.828 2.071 1.00 0.27 N ATOM 2343 CA ILE A 167 -6.442 -1.369 1.307 1.00 0.25 C ATOM 2344 C ILE A 167 -5.857 -0.126 1.981 1.00 0.23 C ATOM 2345 O ILE A 167 -4.681 -0.063 2.284 1.00 0.26 O ATOM 2346 CB ILE A 167 -6.843 -1.039 -0.131 1.00 0.29 C ATOM 2347 CG1 ILE A 167 -7.352 -2.314 -0.810 1.00 0.38 C ATOM 2348 CG2 ILE A 167 -5.626 -0.494 -0.894 1.00 0.26 C ATOM 2349 CD1 ILE A 167 -8.076 -1.953 -2.108 1.00 0.54 C ATOM 0 H ILE A 167 -8.498 -1.887 1.540 1.00 0.27 H new ATOM 0 HA ILE A 167 -5.693 -2.161 1.291 1.00 0.25 H new ATOM 0 HB ILE A 167 -7.629 -0.284 -0.132 1.00 0.29 H new ATOM 0 HG12 ILE A 167 -6.518 -2.983 -1.022 1.00 0.38 H new ATOM 0 HG13 ILE A 167 -8.027 -2.848 -0.142 1.00 0.38 H new ATOM 0 HG21 ILE A 167 -5.914 -0.259 -1.919 1.00 0.26 H new ATOM 0 HG22 ILE A 167 -5.263 0.409 -0.403 1.00 0.26 H new ATOM 0 HG23 ILE A 167 -4.836 -1.245 -0.902 1.00 0.26 H new ATOM 0 HD11 ILE A 167 -8.437 -2.862 -2.588 1.00 0.54 H new ATOM 0 HD12 ILE A 167 -8.921 -1.301 -1.884 1.00 0.54 H new ATOM 0 HD13 ILE A 167 -7.387 -1.438 -2.778 1.00 0.54 H new ATOM 2361 N LEU A 168 -6.675 0.861 2.222 1.00 0.24 N ATOM 2362 CA LEU A 168 -6.185 2.103 2.882 1.00 0.28 C ATOM 2363 C LEU A 168 -5.732 1.773 4.309 1.00 0.30 C ATOM 2364 O LEU A 168 -5.000 2.522 4.925 1.00 0.37 O ATOM 2365 CB LEU A 168 -7.316 3.137 2.930 1.00 0.33 C ATOM 2366 CG LEU A 168 -7.972 3.263 1.550 1.00 0.29 C ATOM 2367 CD1 LEU A 168 -9.494 3.263 1.706 1.00 0.69 C ATOM 2368 CD2 LEU A 168 -7.533 4.572 0.891 1.00 0.40 C ATOM 0 H LEU A 168 -7.668 0.860 1.988 1.00 0.24 H new ATOM 0 HA LEU A 168 -5.346 2.511 2.318 1.00 0.28 H new ATOM 0 HB2 LEU A 168 -8.060 2.840 3.669 1.00 0.33 H new ATOM 0 HB3 LEU A 168 -6.923 4.104 3.244 1.00 0.33 H new ATOM 0 HG LEU A 168 -7.667 2.421 0.928 1.00 0.29 H new ATOM 0 HD11 LEU A 168 -9.960 3.353 0.725 1.00 0.69 H new ATOM 0 HD12 LEU A 168 -9.812 2.332 2.175 1.00 0.69 H new ATOM 0 HD13 LEU A 168 -9.796 4.105 2.329 1.00 0.69 H new ATOM 0 HD21 LEU A 168 -8.000 4.660 -0.090 1.00 0.40 H new ATOM 0 HD22 LEU A 168 -7.837 5.413 1.514 1.00 0.40 H new ATOM 0 HD23 LEU A 168 -6.449 4.577 0.778 1.00 0.40 H new ATOM 2380 N ARG A 169 -6.164 0.661 4.841 1.00 0.27 N ATOM 2381 CA ARG A 169 -5.759 0.284 6.224 1.00 0.32 C ATOM 2382 C ARG A 169 -4.299 -0.174 6.220 1.00 0.32 C ATOM 2383 O ARG A 169 -3.547 0.109 7.132 1.00 0.32 O ATOM 2384 CB ARG A 169 -6.652 -0.853 6.723 1.00 0.31 C ATOM 2385 CG ARG A 169 -7.028 -0.602 8.184 1.00 0.41 C ATOM 2386 CD ARG A 169 -5.867 -1.021 9.087 1.00 1.02 C ATOM 2387 NE ARG A 169 -6.349 -2.018 10.085 1.00 0.91 N ATOM 2388 CZ ARG A 169 -6.320 -3.291 9.800 1.00 2.11 C ATOM 2389 NH1 ARG A 169 -5.187 -3.864 9.498 1.00 3.14 N ATOM 2390 NH2 ARG A 169 -7.422 -3.990 9.816 1.00 2.99 N ATOM 0 H ARG A 169 -6.782 -0.004 4.375 1.00 0.27 H new ATOM 0 HA ARG A 169 -5.866 1.145 6.884 1.00 0.32 H new ATOM 0 HB2 ARG A 169 -7.552 -0.919 6.111 1.00 0.31 H new ATOM 0 HB3 ARG A 169 -6.132 -1.806 6.629 1.00 0.31 H new ATOM 0 HG2 ARG A 169 -7.259 0.452 8.336 1.00 0.41 H new ATOM 0 HG3 ARG A 169 -7.925 -1.165 8.442 1.00 0.41 H new ATOM 0 HD2 ARG A 169 -5.063 -1.449 8.489 1.00 1.02 H new ATOM 0 HD3 ARG A 169 -5.456 -0.150 9.597 1.00 1.02 H new ATOM 0 HE ARG A 169 -6.701 -1.705 10.990 1.00 0.91 H new ATOM 0 HH11 ARG A 169 -4.326 -3.317 9.485 1.00 3.14 H new ATOM 0 HH12 ARG A 169 -5.162 -4.859 9.275 1.00 3.14 H new ATOM 0 HH21 ARG A 169 -8.307 -3.541 10.051 1.00 2.99 H new ATOM 0 HH22 ARG A 169 -7.398 -4.985 9.593 1.00 2.99 H new ATOM 2404 N SER A 170 -3.887 -0.867 5.193 1.00 0.31 N ATOM 2405 CA SER A 170 -2.482 -1.327 5.120 1.00 0.30 C ATOM 2406 C SER A 170 -1.613 -0.129 4.770 1.00 0.32 C ATOM 2407 O SER A 170 -0.686 0.202 5.466 1.00 0.38 O ATOM 2408 CB SER A 170 -2.351 -2.392 4.034 1.00 0.24 C ATOM 2409 OG SER A 170 -1.671 -3.523 4.562 1.00 0.41 O ATOM 0 H SER A 170 -4.471 -1.133 4.400 1.00 0.31 H new ATOM 0 HA SER A 170 -2.170 -1.755 6.073 1.00 0.30 H new ATOM 0 HB2 SER A 170 -3.338 -2.683 3.673 1.00 0.24 H new ATOM 0 HB3 SER A 170 -1.805 -1.991 3.180 1.00 0.24 H new ATOM 0 HG SER A 170 -2.251 -4.311 4.501 1.00 0.41 H new ATOM 2415 N PHE A 171 -1.916 0.543 3.698 1.00 0.30 N ATOM 2416 CA PHE A 171 -1.105 1.732 3.320 1.00 0.31 C ATOM 2417 C PHE A 171 -0.972 2.659 4.527 1.00 0.31 C ATOM 2418 O PHE A 171 0.070 3.224 4.775 1.00 0.26 O ATOM 2419 CB PHE A 171 -1.793 2.471 2.174 1.00 0.31 C ATOM 2420 CG PHE A 171 -1.475 1.779 0.871 1.00 0.38 C ATOM 2421 CD1 PHE A 171 -0.160 1.384 0.584 1.00 1.43 C ATOM 2422 CD2 PHE A 171 -2.494 1.535 -0.054 1.00 1.71 C ATOM 2423 CE1 PHE A 171 0.130 0.748 -0.623 1.00 1.39 C ATOM 2424 CE2 PHE A 171 -2.202 0.898 -1.263 1.00 1.77 C ATOM 2425 CZ PHE A 171 -0.888 0.505 -1.547 1.00 0.49 C ATOM 0 H PHE A 171 -2.687 0.322 3.068 1.00 0.30 H new ATOM 0 HA PHE A 171 -0.113 1.414 2.999 1.00 0.31 H new ATOM 0 HB2 PHE A 171 -2.871 2.491 2.334 1.00 0.31 H new ATOM 0 HB3 PHE A 171 -1.456 3.507 2.140 1.00 0.31 H new ATOM 0 HD1 PHE A 171 0.628 1.572 1.298 1.00 1.43 H new ATOM 0 HD2 PHE A 171 -3.507 1.839 0.166 1.00 1.71 H new ATOM 0 HE1 PHE A 171 1.143 0.443 -0.843 1.00 1.39 H new ATOM 0 HE2 PHE A 171 -2.989 0.709 -1.978 1.00 1.77 H new ATOM 0 HZ PHE A 171 -0.662 0.013 -2.482 1.00 0.49 H new ATOM 2435 N LYS A 172 -2.015 2.797 5.290 1.00 0.41 N ATOM 2436 CA LYS A 172 -1.950 3.673 6.489 1.00 0.44 C ATOM 2437 C LYS A 172 -0.871 3.155 7.447 1.00 0.39 C ATOM 2438 O LYS A 172 0.185 3.742 7.588 1.00 0.35 O ATOM 2439 CB LYS A 172 -3.305 3.663 7.200 1.00 0.54 C ATOM 2440 CG LYS A 172 -4.261 4.630 6.499 1.00 1.25 C ATOM 2441 CD LYS A 172 -3.925 6.064 6.908 1.00 0.40 C ATOM 2442 CE LYS A 172 -5.218 6.832 7.194 1.00 1.03 C ATOM 2443 NZ LYS A 172 -4.989 7.794 8.308 1.00 1.10 N ATOM 0 H LYS A 172 -2.913 2.340 5.135 1.00 0.41 H new ATOM 0 HA LYS A 172 -1.705 4.689 6.181 1.00 0.44 H new ATOM 0 HB2 LYS A 172 -3.722 2.656 7.195 1.00 0.54 H new ATOM 0 HB3 LYS A 172 -3.181 3.951 8.244 1.00 0.54 H new ATOM 0 HG2 LYS A 172 -4.179 4.520 5.418 1.00 1.25 H new ATOM 0 HG3 LYS A 172 -5.292 4.396 6.765 1.00 1.25 H new ATOM 0 HD2 LYS A 172 -3.288 6.061 7.793 1.00 0.40 H new ATOM 0 HD3 LYS A 172 -3.365 6.558 6.114 1.00 0.40 H new ATOM 0 HE2 LYS A 172 -5.542 7.365 6.300 1.00 1.03 H new ATOM 0 HE3 LYS A 172 -6.015 6.137 7.458 1.00 1.03 H new ATOM 0 HZ1 LYS A 172 -5.867 8.316 8.502 1.00 1.10 H new ATOM 0 HZ2 LYS A 172 -4.699 7.275 9.161 1.00 1.10 H new ATOM 0 HZ3 LYS A 172 -4.240 8.464 8.040 1.00 1.10 H new ATOM 2457 N GLU A 173 -1.132 2.059 8.110 1.00 0.42 N ATOM 2458 CA GLU A 173 -0.127 1.510 9.067 1.00 0.42 C ATOM 2459 C GLU A 173 1.103 1.012 8.302 1.00 0.44 C ATOM 2460 O GLU A 173 2.198 1.483 8.510 1.00 0.51 O ATOM 2461 CB GLU A 173 -0.747 0.354 9.853 1.00 0.47 C ATOM 2462 CG GLU A 173 -1.516 0.912 11.053 1.00 1.01 C ATOM 2463 CD GLU A 173 -2.188 -0.231 11.817 1.00 1.47 C ATOM 2464 OE1 GLU A 173 -2.204 -1.338 11.301 1.00 1.73 O ATOM 2465 OE2 GLU A 173 -2.676 0.019 12.907 1.00 1.90 O ATOM 0 H GLU A 173 -1.995 1.522 8.030 1.00 0.42 H new ATOM 0 HA GLU A 173 0.177 2.296 9.758 1.00 0.42 H new ATOM 0 HB2 GLU A 173 -1.417 -0.219 9.212 1.00 0.47 H new ATOM 0 HB3 GLU A 173 0.032 -0.329 10.192 1.00 0.47 H new ATOM 0 HG2 GLU A 173 -0.837 1.452 11.712 1.00 1.01 H new ATOM 0 HG3 GLU A 173 -2.267 1.626 10.715 1.00 1.01 H new ATOM 2472 N PHE A 174 0.921 0.050 7.436 1.00 0.39 N ATOM 2473 CA PHE A 174 2.061 -0.520 6.642 1.00 0.41 C ATOM 2474 C PHE A 174 3.042 0.578 6.182 1.00 0.42 C ATOM 2475 O PHE A 174 4.186 0.598 6.594 1.00 0.51 O ATOM 2476 CB PHE A 174 1.500 -1.240 5.414 1.00 0.41 C ATOM 2477 CG PHE A 174 2.394 -2.394 5.046 1.00 0.56 C ATOM 2478 CD1 PHE A 174 2.213 -3.641 5.651 1.00 2.15 C ATOM 2479 CD2 PHE A 174 3.405 -2.212 4.100 1.00 1.24 C ATOM 2480 CE1 PHE A 174 3.049 -4.710 5.308 1.00 2.28 C ATOM 2481 CE2 PHE A 174 4.242 -3.279 3.755 1.00 1.17 C ATOM 2482 CZ PHE A 174 4.064 -4.530 4.360 1.00 0.84 C ATOM 0 H PHE A 174 0.015 -0.375 7.239 1.00 0.39 H new ATOM 0 HA PHE A 174 2.608 -1.213 7.281 1.00 0.41 H new ATOM 0 HB2 PHE A 174 0.492 -1.601 5.621 1.00 0.41 H new ATOM 0 HB3 PHE A 174 1.424 -0.546 4.577 1.00 0.41 H new ATOM 0 HD1 PHE A 174 1.430 -3.779 6.382 1.00 2.15 H new ATOM 0 HD2 PHE A 174 3.541 -1.247 3.634 1.00 1.24 H new ATOM 0 HE1 PHE A 174 2.911 -5.674 5.775 1.00 2.28 H new ATOM 0 HE2 PHE A 174 5.024 -3.138 3.023 1.00 1.17 H new ATOM 0 HZ PHE A 174 4.709 -5.355 4.096 1.00 0.84 H new ATOM 2492 N LEU A 175 2.623 1.491 5.335 1.00 0.34 N ATOM 2493 CA LEU A 175 3.573 2.556 4.882 1.00 0.34 C ATOM 2494 C LEU A 175 4.126 3.282 6.111 1.00 0.38 C ATOM 2495 O LEU A 175 5.268 3.697 6.139 1.00 0.41 O ATOM 2496 CB LEU A 175 2.856 3.572 3.987 1.00 0.32 C ATOM 2497 CG LEU A 175 2.373 2.904 2.695 1.00 0.39 C ATOM 2498 CD1 LEU A 175 1.282 3.766 2.059 1.00 0.30 C ATOM 2499 CD2 LEU A 175 3.536 2.778 1.707 1.00 0.46 C ATOM 0 H LEU A 175 1.682 1.544 4.945 1.00 0.34 H new ATOM 0 HA LEU A 175 4.380 2.092 4.315 1.00 0.34 H new ATOM 0 HB2 LEU A 175 2.008 4.000 4.521 1.00 0.32 H new ATOM 0 HB3 LEU A 175 3.530 4.394 3.748 1.00 0.32 H new ATOM 0 HG LEU A 175 1.983 1.914 2.931 1.00 0.39 H new ATOM 0 HD11 LEU A 175 0.936 3.294 1.139 1.00 0.30 H new ATOM 0 HD12 LEU A 175 0.447 3.866 2.752 1.00 0.30 H new ATOM 0 HD13 LEU A 175 1.685 4.753 1.831 1.00 0.30 H new ATOM 0 HD21 LEU A 175 3.185 2.302 0.791 1.00 0.46 H new ATOM 0 HD22 LEU A 175 3.925 3.769 1.475 1.00 0.46 H new ATOM 0 HD23 LEU A 175 4.326 2.172 2.151 1.00 0.46 H new ATOM 2511 N GLN A 176 3.328 3.441 7.131 1.00 0.42 N ATOM 2512 CA GLN A 176 3.817 4.136 8.356 1.00 0.46 C ATOM 2513 C GLN A 176 5.086 3.440 8.858 1.00 0.42 C ATOM 2514 O GLN A 176 6.044 4.078 9.255 1.00 0.50 O ATOM 2515 CB GLN A 176 2.738 4.077 9.439 1.00 0.50 C ATOM 2516 CG GLN A 176 2.417 5.493 9.918 1.00 0.74 C ATOM 2517 CD GLN A 176 2.393 5.523 11.447 1.00 1.05 C ATOM 2518 OE1 GLN A 176 2.755 6.512 12.053 1.00 1.46 O ATOM 2519 NE2 GLN A 176 1.981 4.472 12.103 1.00 1.92 N ATOM 0 H GLN A 176 2.360 3.121 7.170 1.00 0.42 H new ATOM 0 HA GLN A 176 4.039 5.177 8.124 1.00 0.46 H new ATOM 0 HB2 GLN A 176 1.839 3.602 9.046 1.00 0.50 H new ATOM 0 HB3 GLN A 176 3.080 3.468 10.275 1.00 0.50 H new ATOM 0 HG2 GLN A 176 3.163 6.193 9.542 1.00 0.74 H new ATOM 0 HG3 GLN A 176 1.453 5.812 9.523 1.00 0.74 H new ATOM 0 HE21 GLN A 176 1.677 3.641 11.596 1.00 1.92 H new ATOM 0 HE22 GLN A 176 1.963 4.482 13.123 1.00 1.92 H new ATOM 2528 N SER A 177 5.101 2.135 8.836 1.00 0.30 N ATOM 2529 CA SER A 177 6.301 1.393 9.302 1.00 0.25 C ATOM 2530 C SER A 177 7.433 1.598 8.297 1.00 0.24 C ATOM 2531 O SER A 177 8.594 1.562 8.642 1.00 0.22 O ATOM 2532 CB SER A 177 5.973 -0.096 9.405 1.00 0.22 C ATOM 2533 OG SER A 177 4.676 -0.254 9.966 1.00 0.48 O ATOM 0 H SER A 177 4.329 1.551 8.514 1.00 0.30 H new ATOM 0 HA SER A 177 6.606 1.762 10.281 1.00 0.25 H new ATOM 0 HB2 SER A 177 6.014 -0.558 8.419 1.00 0.22 H new ATOM 0 HB3 SER A 177 6.714 -0.601 10.025 1.00 0.22 H new ATOM 0 HG SER A 177 4.462 -1.208 10.032 1.00 0.48 H new ATOM 2539 N SER A 178 7.103 1.813 7.054 1.00 0.28 N ATOM 2540 CA SER A 178 8.164 2.026 6.029 1.00 0.31 C ATOM 2541 C SER A 178 8.943 3.302 6.357 1.00 0.35 C ATOM 2542 O SER A 178 10.146 3.366 6.195 1.00 0.36 O ATOM 2543 CB SER A 178 7.521 2.170 4.649 1.00 0.38 C ATOM 2544 OG SER A 178 8.437 2.808 3.770 1.00 1.09 O ATOM 0 H SER A 178 6.146 1.851 6.703 1.00 0.28 H new ATOM 0 HA SER A 178 8.842 1.172 6.029 1.00 0.31 H new ATOM 0 HB2 SER A 178 7.247 1.190 4.259 1.00 0.38 H new ATOM 0 HB3 SER A 178 6.603 2.753 4.722 1.00 0.38 H new ATOM 0 HG SER A 178 8.029 2.901 2.884 1.00 1.09 H new ATOM 2550 N LEU A 179 8.264 4.322 6.811 1.00 0.38 N ATOM 2551 CA LEU A 179 8.963 5.598 7.139 1.00 0.42 C ATOM 2552 C LEU A 179 9.778 5.439 8.426 1.00 0.47 C ATOM 2553 O LEU A 179 10.862 5.970 8.550 1.00 0.62 O ATOM 2554 CB LEU A 179 7.929 6.710 7.334 1.00 0.40 C ATOM 2555 CG LEU A 179 7.089 6.855 6.065 1.00 0.49 C ATOM 2556 CD1 LEU A 179 5.629 7.109 6.445 1.00 0.95 C ATOM 2557 CD2 LEU A 179 7.612 8.036 5.242 1.00 0.82 C ATOM 0 H LEU A 179 7.256 4.326 6.969 1.00 0.38 H new ATOM 0 HA LEU A 179 9.634 5.854 6.319 1.00 0.42 H new ATOM 0 HB2 LEU A 179 7.286 6.478 8.183 1.00 0.40 H new ATOM 0 HB3 LEU A 179 8.430 7.651 7.560 1.00 0.40 H new ATOM 0 HG LEU A 179 7.158 5.940 5.477 1.00 0.49 H new ATOM 0 HD11 LEU A 179 5.030 7.212 5.540 1.00 0.95 H new ATOM 0 HD12 LEU A 179 5.255 6.271 7.034 1.00 0.95 H new ATOM 0 HD13 LEU A 179 5.560 8.025 7.032 1.00 0.95 H new ATOM 0 HD21 LEU A 179 7.015 8.141 4.336 1.00 0.82 H new ATOM 0 HD22 LEU A 179 7.541 8.950 5.832 1.00 0.82 H new ATOM 0 HD23 LEU A 179 8.653 7.858 4.971 1.00 0.82 H new ATOM 2569 N ARG A 180 9.264 4.729 9.394 1.00 0.39 N ATOM 2570 CA ARG A 180 10.014 4.562 10.675 1.00 0.44 C ATOM 2571 C ARG A 180 11.314 3.784 10.435 1.00 0.37 C ATOM 2572 O ARG A 180 12.359 4.130 10.953 1.00 0.49 O ATOM 2573 CB ARG A 180 9.144 3.806 11.680 1.00 0.46 C ATOM 2574 CG ARG A 180 8.023 4.725 12.173 1.00 1.11 C ATOM 2575 CD ARG A 180 8.025 4.768 13.703 1.00 0.66 C ATOM 2576 NE ARG A 180 6.676 4.392 14.211 1.00 1.71 N ATOM 2577 CZ ARG A 180 5.907 5.296 14.754 1.00 1.87 C ATOM 2578 NH1 ARG A 180 6.251 5.852 15.884 1.00 1.67 N ATOM 2579 NH2 ARG A 180 4.795 5.644 14.167 1.00 2.98 N ATOM 0 H ARG A 180 8.360 4.258 9.355 1.00 0.39 H new ATOM 0 HA ARG A 180 10.261 5.547 11.070 1.00 0.44 H new ATOM 0 HB2 ARG A 180 8.721 2.916 11.215 1.00 0.46 H new ATOM 0 HB3 ARG A 180 9.750 3.469 12.521 1.00 0.46 H new ATOM 0 HG2 ARG A 180 8.160 5.729 11.771 1.00 1.11 H new ATOM 0 HG3 ARG A 180 7.060 4.366 11.811 1.00 1.11 H new ATOM 0 HD2 ARG A 180 8.777 4.084 14.096 1.00 0.66 H new ATOM 0 HD3 ARG A 180 8.291 5.767 14.049 1.00 0.66 H new ATOM 0 HE ARG A 180 6.353 3.427 14.134 1.00 1.71 H new ATOM 0 HH11 ARG A 180 7.121 5.580 16.342 1.00 1.67 H new ATOM 0 HH12 ARG A 180 5.650 6.559 16.308 1.00 1.67 H new ATOM 0 HH21 ARG A 180 4.527 5.210 13.284 1.00 2.98 H new ATOM 0 HH22 ARG A 180 4.194 6.350 14.591 1.00 2.98 H new ATOM 2593 N ALA A 181 11.264 2.741 9.653 1.00 0.52 N ATOM 2594 CA ALA A 181 12.496 1.951 9.384 1.00 0.53 C ATOM 2595 C ALA A 181 13.386 2.730 8.419 1.00 0.44 C ATOM 2596 O ALA A 181 14.582 2.528 8.359 1.00 0.34 O ATOM 2597 CB ALA A 181 12.116 0.606 8.759 1.00 0.71 C ATOM 0 H ALA A 181 10.421 2.402 9.189 1.00 0.52 H new ATOM 0 HA ALA A 181 13.031 1.774 10.317 1.00 0.53 H new ATOM 0 HB1 ALA A 181 13.019 0.028 8.562 1.00 0.71 H new ATOM 0 HB2 ALA A 181 11.474 0.054 9.446 1.00 0.71 H new ATOM 0 HB3 ALA A 181 11.584 0.777 7.823 1.00 0.71 H new ATOM 2603 N LEU A 182 12.811 3.623 7.663 1.00 0.63 N ATOM 2604 CA LEU A 182 13.623 4.417 6.705 1.00 0.71 C ATOM 2605 C LEU A 182 14.531 5.375 7.481 1.00 0.55 C ATOM 2606 O LEU A 182 15.708 5.493 7.204 1.00 0.42 O ATOM 2607 CB LEU A 182 12.692 5.224 5.798 1.00 1.03 C ATOM 2608 CG LEU A 182 13.074 4.994 4.335 1.00 1.07 C ATOM 2609 CD1 LEU A 182 14.525 5.423 4.111 1.00 2.56 C ATOM 2610 CD2 LEU A 182 12.925 3.510 3.996 1.00 1.60 C ATOM 0 H LEU A 182 11.814 3.836 7.668 1.00 0.63 H new ATOM 0 HA LEU A 182 14.232 3.746 6.099 1.00 0.71 H new ATOM 0 HB2 LEU A 182 11.657 4.926 5.965 1.00 1.03 H new ATOM 0 HB3 LEU A 182 12.761 6.285 6.040 1.00 1.03 H new ATOM 0 HG LEU A 182 12.418 5.582 3.693 1.00 1.07 H new ATOM 0 HD11 LEU A 182 14.796 5.259 3.068 1.00 2.56 H new ATOM 0 HD12 LEU A 182 14.633 6.481 4.352 1.00 2.56 H new ATOM 0 HD13 LEU A 182 15.181 4.836 4.753 1.00 2.56 H new ATOM 0 HD21 LEU A 182 13.197 3.346 2.953 1.00 1.60 H new ATOM 0 HD22 LEU A 182 13.580 2.922 4.639 1.00 1.60 H new ATOM 0 HD23 LEU A 182 11.891 3.203 4.154 1.00 1.60 H new ATOM 2622 N ARG A 183 13.989 6.061 8.451 1.00 0.59 N ATOM 2623 CA ARG A 183 14.812 7.013 9.244 1.00 0.49 C ATOM 2624 C ARG A 183 15.769 6.235 10.148 1.00 0.43 C ATOM 2625 O ARG A 183 16.842 6.700 10.478 1.00 0.44 O ATOM 2626 CB ARG A 183 13.893 7.886 10.104 1.00 0.58 C ATOM 2627 CG ARG A 183 14.735 8.840 10.953 1.00 1.27 C ATOM 2628 CD ARG A 183 14.168 10.257 10.846 1.00 1.06 C ATOM 2629 NE ARG A 183 13.056 10.421 11.824 1.00 1.51 N ATOM 2630 CZ ARG A 183 12.894 11.559 12.445 1.00 1.79 C ATOM 2631 NH1 ARG A 183 13.184 12.680 11.842 1.00 1.58 N ATOM 2632 NH2 ARG A 183 12.445 11.575 13.670 1.00 2.82 N ATOM 0 H ARG A 183 13.009 6.001 8.727 1.00 0.59 H new ATOM 0 HA ARG A 183 15.388 7.645 8.568 1.00 0.49 H new ATOM 0 HB2 ARG A 183 13.214 8.453 9.467 1.00 0.58 H new ATOM 0 HB3 ARG A 183 13.277 7.258 10.748 1.00 0.58 H new ATOM 0 HG2 ARG A 183 14.734 8.515 11.993 1.00 1.27 H new ATOM 0 HG3 ARG A 183 15.771 8.825 10.615 1.00 1.27 H new ATOM 0 HD2 ARG A 183 14.951 10.989 11.043 1.00 1.06 H new ATOM 0 HD3 ARG A 183 13.807 10.440 9.834 1.00 1.06 H new ATOM 0 HE ARG A 183 12.421 9.644 12.009 1.00 1.51 H new ATOM 0 HH11 ARG A 183 13.537 12.668 10.885 1.00 1.58 H new ATOM 0 HH12 ARG A 183 13.057 13.568 12.328 1.00 1.58 H new ATOM 0 HH21 ARG A 183 12.221 10.699 14.142 1.00 2.82 H new ATOM 0 HH22 ARG A 183 12.318 12.463 14.155 1.00 2.82 H new ATOM 2646 N GLN A 184 15.394 5.051 10.551 1.00 0.44 N ATOM 2647 CA GLN A 184 16.290 4.250 11.431 1.00 0.46 C ATOM 2648 C GLN A 184 17.383 3.595 10.585 1.00 0.47 C ATOM 2649 O GLN A 184 18.426 3.225 11.085 1.00 0.54 O ATOM 2650 CB GLN A 184 15.475 3.166 12.139 1.00 0.50 C ATOM 2651 CG GLN A 184 14.904 3.726 13.442 1.00 0.88 C ATOM 2652 CD GLN A 184 15.595 3.055 14.629 1.00 0.76 C ATOM 2653 OE1 GLN A 184 14.968 2.345 15.390 1.00 1.36 O ATOM 2654 NE2 GLN A 184 16.871 3.248 14.820 1.00 1.85 N ATOM 0 H GLN A 184 14.509 4.606 10.309 1.00 0.44 H new ATOM 0 HA GLN A 184 16.748 4.903 12.174 1.00 0.46 H new ATOM 0 HB2 GLN A 184 14.667 2.824 11.493 1.00 0.50 H new ATOM 0 HB3 GLN A 184 16.104 2.301 12.348 1.00 0.50 H new ATOM 0 HG2 GLN A 184 15.053 4.805 13.483 1.00 0.88 H new ATOM 0 HG3 GLN A 184 13.829 3.550 13.486 1.00 0.88 H new ATOM 0 HE21 GLN A 184 17.398 3.844 14.181 1.00 1.85 H new ATOM 0 HE22 GLN A 184 17.342 2.803 15.608 1.00 1.85 H new ATOM 2663 N MET A 185 17.154 3.448 9.309 1.00 0.50 N ATOM 2664 CA MET A 185 18.183 2.815 8.440 1.00 0.62 C ATOM 2665 C MET A 185 19.429 3.702 8.396 1.00 0.54 C ATOM 2666 O MET A 185 20.263 3.475 7.534 1.00 1.26 O ATOM 2667 CB MET A 185 17.628 2.647 7.024 1.00 1.01 C ATOM 2668 CG MET A 185 16.976 1.269 6.889 1.00 0.54 C ATOM 2669 SD MET A 185 16.074 1.181 5.322 1.00 0.97 S ATOM 2670 CE MET A 185 14.617 0.311 5.950 1.00 0.61 C ATOM 2671 OXT MET A 185 19.527 4.593 9.222 1.00 1.42 O ATOM 0 H MET A 185 16.300 3.739 8.832 1.00 0.50 H new ATOM 0 HA MET A 185 18.445 1.837 8.844 1.00 0.62 H new ATOM 0 HB2 MET A 185 16.898 3.428 6.814 1.00 1.01 H new ATOM 0 HB3 MET A 185 18.429 2.755 6.293 1.00 1.01 H new ATOM 0 HG2 MET A 185 17.737 0.489 6.928 1.00 0.54 H new ATOM 0 HG3 MET A 185 16.296 1.093 7.723 1.00 0.54 H new ATOM 0 HE1 MET A 185 14.233 -0.358 5.180 1.00 0.61 H new ATOM 0 HE2 MET A 185 14.891 -0.269 6.831 1.00 0.61 H new ATOM 0 HE3 MET A 185 13.848 1.036 6.218 1.00 0.61 H new