USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1052 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 108 ASN : amide:sc= 0.802 X(o=1.1,f=1.3) USER MOD Set 1.2: A 113 THR OG1 : rot 71:sc= 0.347 USER MOD Set 2.1: A 90 ASN : amide:sc= 0.741 K(o=2.9,f=-6.6!) USER MOD Set 2.2: A 94 LYS NZ :NH3+ -178:sc= 2.19 (180deg=1.15) USER MOD Set 3.1: A 88 CYS SG : rot -130:sc= 0.731 USER MOD Set 3.2: A 137 TYR OH : rot -52:sc= 0.634 USER MOD Set 4.1: A 10 MET CE :methyl -145:sc= -0.955 (180deg=-1.68) USER MOD Set 4.2: A 73 THR OG1 : rot 171:sc= -0.0189 USER MOD Set 5.1: A 61 GLN : amide:sc= 0.0654 K(o=1.2,f=-1.8) USER MOD Set 5.2: A 104 ASN : amide:sc= 1.11 K(o=1.2,f=-0.95) USER MOD Set 6.1: A 6 LYS NZ :NH3+ 168:sc= 1.19 (180deg=0) USER MOD Set 6.2: A 50 TYR OH : rot 132:sc= 0.589 USER MOD Set 6.3: A 57 THR OG1 : rot 180:sc= 0.02 USER MOD Set 7.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 45 THR OG1 : rot 63:sc= 0.459 USER MOD Set 8.1: A 20 CYS SG : rot -140:sc= 0.983 USER MOD Set 8.2: A 69 TYR OH : rot -12:sc= 0.798 USER MOD Single : A 5 GLN :FLIP amide:sc= -0.146 F(o=-1.7,f=-0.15) USER MOD Single : A 11 GLN : amide:sc= 0.964 K(o=0.96,f=-0.23) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -147:sc= -0.823 (180deg=-3.47!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.116 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= 0.537 (180deg=-0.414!) USER MOD Single : A 31 MET CE :methyl 169:sc= 0 (180deg=-0.152) USER MOD Single : A 35 THR OG1 : rot -70:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.1 K(o=1.1,f=-0.19) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc=-0.00251 X(o=-0.0025,f=-0.0064) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 139:sc= -0.447 (180deg=-0.666) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= -0.0102 (180deg=-0.11) USER MOD Single : A 83 MET CE :methyl -150:sc= -0.298 (180deg=-0.98) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.247) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 110:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0.308 K(o=0.31,f=-14!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 152:sc= -0.261 (180deg=-0.434) USER MOD Single : A 134 LYS NZ :NH3+ -166:sc= 0.766 (180deg=0.0838) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -165:sc=-0.00616 (180deg=-0.186) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 0.843 -15.946 3.986 1.00 1.28 N ATOM 66 CA GLN A 5 0.063 -14.951 3.263 1.00 1.05 C ATOM 67 C GLN A 5 0.055 -13.623 4.021 1.00 1.08 C ATOM 68 O GLN A 5 0.260 -13.589 5.233 1.00 1.32 O ATOM 69 CB GLN A 5 -1.378 -15.420 2.986 1.00 1.11 C ATOM 70 CG GLN A 5 -1.603 -16.923 2.742 1.00 1.19 C ATOM 71 CD GLN A 5 -0.794 -17.570 1.620 1.00 1.40 C ATOM 72 OE1 GLN A 5 -0.062 -16.800 0.828 1.00 3.01 O flip ATOM 73 NE2 GLN A 5 -0.810 -18.791 1.497 1.00 1.24 N flip ATOM 0 HA GLN A 5 0.545 -14.809 2.296 1.00 1.05 H new ATOM 0 HB2 GLN A 5 -1.997 -15.120 3.831 1.00 1.11 H new ATOM 0 HB3 GLN A 5 -1.746 -14.879 2.114 1.00 1.11 H new ATOM 0 HG2 GLN A 5 -1.383 -17.454 3.668 1.00 1.19 H new ATOM 0 HG3 GLN A 5 -2.661 -17.078 2.530 1.00 1.19 H new ATOM 0 HE21 GLN A 5 -1.383 -19.359 2.121 1.00 1.24 H new ATOM 0 HE22 GLN A 5 -0.250 -19.238 0.771 1.00 1.24 H new ATOM 82 N LYS A 6 -0.207 -12.533 3.296 1.00 0.95 N ATOM 83 CA LYS A 6 -0.387 -11.205 3.856 1.00 0.94 C ATOM 84 C LYS A 6 -1.745 -10.662 3.437 1.00 0.87 C ATOM 85 O LYS A 6 -2.201 -10.943 2.327 1.00 0.93 O ATOM 86 CB LYS A 6 0.727 -10.273 3.359 1.00 1.07 C ATOM 87 CG LYS A 6 0.664 -9.995 1.843 1.00 1.23 C ATOM 88 CD LYS A 6 0.355 -8.528 1.497 1.00 1.28 C ATOM 89 CE LYS A 6 1.590 -7.829 0.906 1.00 1.17 C ATOM 90 NZ LYS A 6 1.323 -6.415 0.570 1.00 2.01 N ATOM 0 H LYS A 6 -0.301 -12.557 2.281 1.00 0.95 H new ATOM 0 HA LYS A 6 -0.339 -11.260 4.944 1.00 0.94 H new ATOM 0 HB2 LYS A 6 0.666 -9.327 3.897 1.00 1.07 H new ATOM 0 HB3 LYS A 6 1.694 -10.715 3.600 1.00 1.07 H new ATOM 0 HG2 LYS A 6 1.616 -10.273 1.391 1.00 1.23 H new ATOM 0 HG3 LYS A 6 -0.099 -10.633 1.397 1.00 1.23 H new ATOM 0 HD2 LYS A 6 -0.468 -8.485 0.784 1.00 1.28 H new ATOM 0 HD3 LYS A 6 0.028 -8.000 2.393 1.00 1.28 H new ATOM 0 HE2 LYS A 6 2.412 -7.882 1.620 1.00 1.17 H new ATOM 0 HE3 LYS A 6 1.911 -8.359 0.010 1.00 1.17 H new ATOM 0 HZ1 LYS A 6 2.221 -5.930 0.369 1.00 2.01 H new ATOM 0 HZ2 LYS A 6 0.709 -6.367 -0.268 1.00 2.01 H new ATOM 0 HZ3 LYS A 6 0.851 -5.951 1.372 1.00 2.01 H new ATOM 104 N GLU A 7 -2.336 -9.842 4.296 1.00 0.88 N ATOM 105 CA GLU A 7 -3.505 -9.038 4.016 1.00 0.77 C ATOM 106 C GLU A 7 -3.074 -7.629 3.614 1.00 0.80 C ATOM 107 O GLU A 7 -2.002 -7.158 3.997 1.00 1.19 O ATOM 108 CB GLU A 7 -4.404 -8.967 5.258 1.00 0.83 C ATOM 109 CG GLU A 7 -4.567 -10.321 5.968 1.00 1.93 C ATOM 110 CD GLU A 7 -3.574 -10.496 7.118 1.00 2.00 C ATOM 111 OE1 GLU A 7 -2.355 -10.382 6.853 1.00 2.68 O ATOM 112 OE2 GLU A 7 -4.056 -10.713 8.249 1.00 2.72 O ATOM 0 H GLU A 7 -1.993 -9.718 5.249 1.00 0.88 H new ATOM 0 HA GLU A 7 -4.063 -9.494 3.198 1.00 0.77 H new ATOM 0 HB2 GLU A 7 -3.987 -8.245 5.959 1.00 0.83 H new ATOM 0 HB3 GLU A 7 -5.387 -8.597 4.966 1.00 0.83 H new ATOM 0 HG2 GLU A 7 -5.583 -10.407 6.352 1.00 1.93 H new ATOM 0 HG3 GLU A 7 -4.429 -11.126 5.246 1.00 1.93 H new ATOM 119 N ILE A 8 -3.928 -6.949 2.854 1.00 0.67 N ATOM 120 CA ILE A 8 -3.852 -5.515 2.624 1.00 0.73 C ATOM 121 C ILE A 8 -5.279 -4.994 2.433 1.00 0.65 C ATOM 122 O ILE A 8 -6.017 -5.558 1.623 1.00 0.61 O ATOM 123 CB ILE A 8 -2.906 -5.252 1.439 1.00 0.77 C ATOM 124 CG1 ILE A 8 -2.998 -3.849 0.825 1.00 0.87 C ATOM 125 CG2 ILE A 8 -3.016 -6.308 0.339 1.00 1.14 C ATOM 126 CD1 ILE A 8 -4.164 -3.640 -0.163 1.00 2.88 C ATOM 0 H ILE A 8 -4.709 -7.393 2.371 1.00 0.67 H new ATOM 0 HA ILE A 8 -3.428 -4.971 3.468 1.00 0.73 H new ATOM 0 HB ILE A 8 -1.921 -5.322 1.900 1.00 0.77 H new ATOM 0 HG12 ILE A 8 -3.092 -3.122 1.632 1.00 0.87 H new ATOM 0 HG13 ILE A 8 -2.062 -3.634 0.309 1.00 0.87 H new ATOM 0 HG21 ILE A 8 -2.324 -6.066 -0.468 1.00 1.14 H new ATOM 0 HG22 ILE A 8 -2.768 -7.287 0.749 1.00 1.14 H new ATOM 0 HG23 ILE A 8 -4.034 -6.324 -0.049 1.00 1.14 H new ATOM 0 HD11 ILE A 8 -4.142 -2.618 -0.541 1.00 2.88 H new ATOM 0 HD12 ILE A 8 -4.065 -4.337 -0.995 1.00 2.88 H new ATOM 0 HD13 ILE A 8 -5.110 -3.817 0.348 1.00 2.88 H new ATOM 138 N ALA A 9 -5.668 -3.951 3.183 1.00 0.66 N ATOM 139 CA ALA A 9 -6.959 -3.286 3.078 1.00 0.58 C ATOM 140 C ALA A 9 -6.731 -1.891 2.502 1.00 0.57 C ATOM 141 O ALA A 9 -5.961 -1.120 3.066 1.00 0.69 O ATOM 142 CB ALA A 9 -7.611 -3.210 4.460 1.00 0.61 C ATOM 0 H ALA A 9 -5.068 -3.541 3.899 1.00 0.66 H new ATOM 0 HA ALA A 9 -7.628 -3.842 2.422 1.00 0.58 H new ATOM 0 HB1 ALA A 9 -8.577 -2.712 4.380 1.00 0.61 H new ATOM 0 HB2 ALA A 9 -7.753 -4.217 4.851 1.00 0.61 H new ATOM 0 HB3 ALA A 9 -6.967 -2.646 5.135 1.00 0.61 H new ATOM 148 N MET A 10 -7.347 -1.586 1.359 1.00 0.49 N ATOM 149 CA MET A 10 -7.302 -0.264 0.733 1.00 0.52 C ATOM 150 C MET A 10 -8.699 0.057 0.175 1.00 0.50 C ATOM 151 O MET A 10 -9.576 -0.804 0.199 1.00 0.60 O ATOM 152 CB MET A 10 -6.196 -0.213 -0.335 1.00 0.58 C ATOM 153 CG MET A 10 -4.798 -0.240 0.314 1.00 0.76 C ATOM 154 SD MET A 10 -3.378 -0.186 -0.805 1.00 1.33 S ATOM 155 CE MET A 10 -3.541 1.492 -1.413 1.00 2.16 C ATOM 0 H MET A 10 -7.901 -2.262 0.833 1.00 0.49 H new ATOM 0 HA MET A 10 -7.047 0.504 1.463 1.00 0.52 H new ATOM 0 HB2 MET A 10 -6.302 -1.059 -1.014 1.00 0.58 H new ATOM 0 HB3 MET A 10 -6.305 0.691 -0.934 1.00 0.58 H new ATOM 0 HG2 MET A 10 -4.724 0.606 0.997 1.00 0.76 H new ATOM 0 HG3 MET A 10 -4.721 -1.145 0.917 1.00 0.76 H new ATOM 0 HE1 MET A 10 -3.231 1.532 -2.457 1.00 2.16 H new ATOM 0 HE2 MET A 10 -4.580 1.810 -1.330 1.00 2.16 H new ATOM 0 HE3 MET A 10 -2.911 2.156 -0.822 1.00 2.16 H new ATOM 165 N GLN A 11 -8.920 1.267 -0.352 1.00 0.45 N ATOM 166 CA GLN A 11 -10.172 1.644 -1.009 1.00 0.48 C ATOM 167 C GLN A 11 -9.968 1.714 -2.522 1.00 0.47 C ATOM 168 O GLN A 11 -8.859 1.961 -3.002 1.00 0.73 O ATOM 169 CB GLN A 11 -10.694 2.970 -0.448 1.00 0.58 C ATOM 170 CG GLN A 11 -11.363 2.772 0.914 1.00 1.34 C ATOM 171 CD GLN A 11 -11.680 4.103 1.580 1.00 1.78 C ATOM 172 OE1 GLN A 11 -12.124 5.050 0.937 1.00 1.93 O ATOM 173 NE2 GLN A 11 -11.417 4.212 2.874 1.00 2.58 N ATOM 0 H GLN A 11 -8.228 2.016 -0.333 1.00 0.45 H new ATOM 0 HA GLN A 11 -10.926 0.883 -0.806 1.00 0.48 H new ATOM 0 HB2 GLN A 11 -9.869 3.676 -0.351 1.00 0.58 H new ATOM 0 HB3 GLN A 11 -11.408 3.407 -1.146 1.00 0.58 H new ATOM 0 HG2 GLN A 11 -12.282 2.199 0.789 1.00 1.34 H new ATOM 0 HG3 GLN A 11 -10.708 2.188 1.560 1.00 1.34 H new ATOM 0 HE21 GLN A 11 -11.049 3.412 3.389 1.00 2.58 H new ATOM 0 HE22 GLN A 11 -11.583 5.096 3.355 1.00 2.58 H new ATOM 182 N VAL A 12 -11.044 1.485 -3.277 1.00 0.37 N ATOM 183 CA VAL A 12 -11.056 1.426 -4.726 1.00 0.37 C ATOM 184 C VAL A 12 -12.317 2.132 -5.227 1.00 0.34 C ATOM 185 O VAL A 12 -13.315 2.169 -4.512 1.00 0.46 O ATOM 186 CB VAL A 12 -10.976 -0.052 -5.152 1.00 0.45 C ATOM 187 CG1 VAL A 12 -12.077 -0.908 -4.514 1.00 0.53 C ATOM 188 CG2 VAL A 12 -11.081 -0.207 -6.666 1.00 0.58 C ATOM 0 H VAL A 12 -11.967 1.330 -2.870 1.00 0.37 H new ATOM 0 HA VAL A 12 -10.201 1.938 -5.168 1.00 0.37 H new ATOM 0 HB VAL A 12 -10.003 -0.400 -4.804 1.00 0.45 H new ATOM 0 HG11 VAL A 12 -11.974 -1.941 -4.848 1.00 0.53 H new ATOM 0 HG12 VAL A 12 -11.987 -0.867 -3.429 1.00 0.53 H new ATOM 0 HG13 VAL A 12 -13.053 -0.526 -4.812 1.00 0.53 H new ATOM 0 HG21 VAL A 12 -11.021 -1.263 -6.929 1.00 0.58 H new ATOM 0 HG22 VAL A 12 -12.033 0.198 -7.008 1.00 0.58 H new ATOM 0 HG23 VAL A 12 -10.264 0.333 -7.145 1.00 0.58 H new ATOM 198 N SER A 13 -12.269 2.677 -6.446 1.00 0.35 N ATOM 199 CA SER A 13 -13.347 3.423 -7.073 1.00 0.37 C ATOM 200 C SER A 13 -13.611 2.904 -8.485 1.00 0.47 C ATOM 201 O SER A 13 -12.762 2.240 -9.081 1.00 0.80 O ATOM 202 CB SER A 13 -12.954 4.891 -7.187 1.00 0.66 C ATOM 203 OG SER A 13 -12.443 5.381 -5.964 1.00 1.05 O ATOM 0 H SER A 13 -11.443 2.604 -7.040 1.00 0.35 H new ATOM 0 HA SER A 13 -14.240 3.304 -6.460 1.00 0.37 H new ATOM 0 HB2 SER A 13 -12.205 5.010 -7.970 1.00 0.66 H new ATOM 0 HB3 SER A 13 -13.822 5.480 -7.483 1.00 0.66 H new ATOM 0 HG SER A 13 -12.197 6.324 -6.067 1.00 1.05 H new ATOM 209 N GLY A 14 -14.788 3.252 -9.015 1.00 0.49 N ATOM 210 CA GLY A 14 -15.324 2.744 -10.272 1.00 0.67 C ATOM 211 C GLY A 14 -16.369 1.655 -10.009 1.00 0.72 C ATOM 212 O GLY A 14 -17.141 1.297 -10.900 1.00 0.94 O ATOM 0 H GLY A 14 -15.412 3.919 -8.561 1.00 0.49 H new ATOM 0 HA2 GLY A 14 -15.775 3.559 -10.838 1.00 0.67 H new ATOM 0 HA3 GLY A 14 -14.516 2.341 -10.882 1.00 0.67 H new ATOM 216 N MET A 15 -16.396 1.132 -8.777 1.00 0.69 N ATOM 217 CA MET A 15 -17.325 0.093 -8.371 1.00 0.81 C ATOM 218 C MET A 15 -18.757 0.575 -8.545 1.00 0.89 C ATOM 219 O MET A 15 -19.283 1.331 -7.733 1.00 1.08 O ATOM 220 CB MET A 15 -17.088 -0.323 -6.922 1.00 0.88 C ATOM 221 CG MET A 15 -15.776 -1.093 -6.783 1.00 1.00 C ATOM 222 SD MET A 15 -15.540 -1.820 -5.153 1.00 1.43 S ATOM 223 CE MET A 15 -15.643 -0.336 -4.138 1.00 2.83 C ATOM 0 H MET A 15 -15.764 1.427 -8.033 1.00 0.69 H new ATOM 0 HA MET A 15 -17.158 -0.777 -9.007 1.00 0.81 H new ATOM 0 HB2 MET A 15 -17.065 0.561 -6.285 1.00 0.88 H new ATOM 0 HB3 MET A 15 -17.916 -0.942 -6.577 1.00 0.88 H new ATOM 0 HG2 MET A 15 -15.747 -1.884 -7.533 1.00 1.00 H new ATOM 0 HG3 MET A 15 -14.945 -0.421 -6.996 1.00 1.00 H new ATOM 0 HE1 MET A 15 -14.988 -0.440 -3.273 1.00 2.83 H new ATOM 0 HE2 MET A 15 -15.334 0.529 -4.725 1.00 2.83 H new ATOM 0 HE3 MET A 15 -16.670 -0.197 -3.800 1.00 2.83 H new ATOM 233 N THR A 16 -19.384 0.104 -9.615 1.00 0.94 N ATOM 234 CA THR A 16 -20.752 0.445 -9.945 1.00 1.16 C ATOM 235 C THR A 16 -21.707 -0.456 -9.156 1.00 1.27 C ATOM 236 O THR A 16 -22.849 -0.076 -8.908 1.00 1.38 O ATOM 237 CB THR A 16 -20.915 0.333 -11.467 1.00 1.40 C ATOM 238 OG1 THR A 16 -19.930 1.131 -12.102 1.00 1.45 O ATOM 239 CG2 THR A 16 -22.295 0.800 -11.942 1.00 1.58 C ATOM 0 H THR A 16 -18.948 -0.532 -10.282 1.00 0.94 H new ATOM 0 HA THR A 16 -20.998 1.468 -9.661 1.00 1.16 H new ATOM 0 HB THR A 16 -20.804 -0.719 -11.729 1.00 1.40 H new ATOM 0 HG1 THR A 16 -20.029 1.061 -13.074 1.00 1.45 H new ATOM 0 HG21 THR A 16 -22.360 0.701 -13.026 1.00 1.58 H new ATOM 0 HG22 THR A 16 -23.067 0.188 -11.475 1.00 1.58 H new ATOM 0 HG23 THR A 16 -22.442 1.844 -11.664 1.00 1.58 H new ATOM 247 N CYS A 17 -21.254 -1.653 -8.760 1.00 1.39 N ATOM 248 CA CYS A 17 -22.095 -2.633 -8.077 1.00 1.76 C ATOM 249 C CYS A 17 -21.249 -3.817 -7.606 1.00 1.32 C ATOM 250 O CYS A 17 -20.093 -3.944 -8.015 1.00 2.95 O ATOM 251 CB CYS A 17 -23.203 -3.130 -9.023 1.00 3.49 C ATOM 252 SG CYS A 17 -24.581 -3.778 -8.051 1.00 4.20 S ATOM 0 H CYS A 17 -20.294 -1.965 -8.906 1.00 1.39 H new ATOM 0 HA CYS A 17 -22.553 -2.156 -7.210 1.00 1.76 H new ATOM 0 HB2 CYS A 17 -23.545 -2.314 -9.659 1.00 3.49 H new ATOM 0 HB3 CYS A 17 -22.812 -3.906 -9.682 1.00 3.49 H new ATOM 0 HG CYS A 17 -25.517 -4.195 -8.850 1.00 4.20 H new ATOM 258 N ALA A 18 -21.826 -4.717 -6.802 1.00 1.21 N ATOM 259 CA ALA A 18 -21.219 -5.975 -6.380 1.00 2.07 C ATOM 260 C ALA A 18 -20.608 -6.753 -7.551 1.00 1.83 C ATOM 261 O ALA A 18 -19.593 -7.417 -7.386 1.00 2.78 O ATOM 262 CB ALA A 18 -22.266 -6.830 -5.661 1.00 3.27 C ATOM 0 H ALA A 18 -22.760 -4.581 -6.416 1.00 1.21 H new ATOM 0 HA ALA A 18 -20.401 -5.737 -5.700 1.00 2.07 H new ATOM 0 HB1 ALA A 18 -21.814 -7.770 -5.345 1.00 3.27 H new ATOM 0 HB2 ALA A 18 -22.636 -6.294 -4.787 1.00 3.27 H new ATOM 0 HB3 ALA A 18 -23.095 -7.036 -6.338 1.00 3.27 H new ATOM 268 N ALA A 19 -21.208 -6.673 -8.743 1.00 1.13 N ATOM 269 CA ALA A 19 -20.661 -7.299 -9.941 1.00 0.99 C ATOM 270 C ALA A 19 -19.230 -6.827 -10.236 1.00 0.74 C ATOM 271 O ALA A 19 -18.382 -7.619 -10.640 1.00 0.71 O ATOM 272 CB ALA A 19 -21.578 -7.007 -11.132 1.00 1.35 C ATOM 0 H ALA A 19 -22.083 -6.173 -8.900 1.00 1.13 H new ATOM 0 HA ALA A 19 -20.612 -8.374 -9.769 1.00 0.99 H new ATOM 0 HB1 ALA A 19 -21.170 -7.474 -12.028 1.00 1.35 H new ATOM 0 HB2 ALA A 19 -22.572 -7.409 -10.933 1.00 1.35 H new ATOM 0 HB3 ALA A 19 -21.646 -5.930 -11.283 1.00 1.35 H new ATOM 278 N CYS A 20 -18.958 -5.532 -10.046 1.00 0.65 N ATOM 279 CA CYS A 20 -17.663 -4.931 -10.339 1.00 0.56 C ATOM 280 C CYS A 20 -16.652 -5.501 -9.359 1.00 0.47 C ATOM 281 O CYS A 20 -15.636 -6.073 -9.749 1.00 0.49 O ATOM 282 CB CYS A 20 -17.735 -3.409 -10.187 1.00 0.58 C ATOM 283 SG CYS A 20 -18.749 -2.693 -11.498 1.00 0.79 S ATOM 0 H CYS A 20 -19.641 -4.869 -9.680 1.00 0.65 H new ATOM 0 HA CYS A 20 -17.370 -5.155 -11.365 1.00 0.56 H new ATOM 0 HB2 CYS A 20 -18.154 -3.154 -9.214 1.00 0.58 H new ATOM 0 HB3 CYS A 20 -16.731 -2.986 -10.223 1.00 0.58 H new ATOM 0 HG CYS A 20 -18.205 -1.587 -11.912 1.00 0.79 H new ATOM 289 N ALA A 21 -16.984 -5.373 -8.073 1.00 0.46 N ATOM 290 CA ALA A 21 -16.276 -6.034 -6.988 1.00 0.51 C ATOM 291 C ALA A 21 -15.946 -7.488 -7.354 1.00 0.49 C ATOM 292 O ALA A 21 -14.778 -7.841 -7.471 1.00 0.44 O ATOM 293 CB ALA A 21 -17.112 -5.923 -5.706 1.00 0.70 C ATOM 0 H ALA A 21 -17.765 -4.798 -7.757 1.00 0.46 H new ATOM 0 HA ALA A 21 -15.319 -5.542 -6.814 1.00 0.51 H new ATOM 0 HB1 ALA A 21 -16.589 -6.416 -4.887 1.00 0.70 H new ATOM 0 HB2 ALA A 21 -17.263 -4.872 -5.460 1.00 0.70 H new ATOM 0 HB3 ALA A 21 -18.079 -6.402 -5.860 1.00 0.70 H new ATOM 299 N ALA A 22 -16.959 -8.317 -7.605 1.00 0.58 N ATOM 300 CA ALA A 22 -16.792 -9.724 -7.957 1.00 0.63 C ATOM 301 C ALA A 22 -15.892 -9.907 -9.178 1.00 0.56 C ATOM 302 O ALA A 22 -15.096 -10.843 -9.224 1.00 0.57 O ATOM 303 CB ALA A 22 -18.164 -10.362 -8.182 1.00 0.80 C ATOM 0 H ALA A 22 -17.935 -8.023 -7.568 1.00 0.58 H new ATOM 0 HA ALA A 22 -16.295 -10.226 -7.127 1.00 0.63 H new ATOM 0 HB1 ALA A 22 -18.038 -11.412 -8.445 1.00 0.80 H new ATOM 0 HB2 ALA A 22 -18.755 -10.285 -7.270 1.00 0.80 H new ATOM 0 HB3 ALA A 22 -18.678 -9.844 -8.992 1.00 0.80 H new ATOM 309 N ARG A 23 -15.998 -9.027 -10.178 1.00 0.55 N ATOM 310 CA ARG A 23 -15.120 -9.067 -11.331 1.00 0.59 C ATOM 311 C ARG A 23 -13.674 -8.870 -10.899 1.00 0.51 C ATOM 312 O ARG A 23 -12.801 -9.601 -11.366 1.00 0.55 O ATOM 313 CB ARG A 23 -15.528 -8.022 -12.382 1.00 0.66 C ATOM 314 CG ARG A 23 -16.362 -8.644 -13.503 1.00 0.78 C ATOM 315 CD ARG A 23 -15.547 -9.718 -14.245 1.00 0.85 C ATOM 316 NE ARG A 23 -15.624 -9.565 -15.709 1.00 0.99 N ATOM 317 CZ ARG A 23 -16.704 -9.818 -16.467 1.00 2.16 C ATOM 318 NH1 ARG A 23 -17.834 -10.235 -15.887 1.00 3.98 N ATOM 319 NH2 ARG A 23 -16.648 -9.654 -17.793 1.00 2.04 N ATOM 0 H ARG A 23 -16.690 -8.278 -10.204 1.00 0.55 H new ATOM 0 HA ARG A 23 -15.213 -10.049 -11.795 1.00 0.59 H new ATOM 0 HB2 ARG A 23 -16.098 -7.227 -11.902 1.00 0.66 H new ATOM 0 HB3 ARG A 23 -14.634 -7.563 -12.805 1.00 0.66 H new ATOM 0 HG2 ARG A 23 -17.267 -9.087 -13.088 1.00 0.78 H new ATOM 0 HG3 ARG A 23 -16.678 -7.870 -14.203 1.00 0.78 H new ATOM 0 HD2 ARG A 23 -14.505 -9.662 -13.930 1.00 0.85 H new ATOM 0 HD3 ARG A 23 -15.912 -10.706 -13.965 1.00 0.85 H new ATOM 0 HE ARG A 23 -14.785 -9.239 -16.188 1.00 0.99 H new ATOM 0 HH11 ARG A 23 -17.872 -10.359 -14.875 1.00 3.98 H new ATOM 0 HH12 ARG A 23 -18.658 -10.429 -16.456 1.00 3.98 H new ATOM 0 HH21 ARG A 23 -15.784 -9.336 -18.232 1.00 2.04 H new ATOM 0 HH22 ARG A 23 -17.470 -9.847 -18.366 1.00 2.04 H new ATOM 333 N ILE A 24 -13.412 -7.903 -10.018 1.00 0.44 N ATOM 334 CA ILE A 24 -12.079 -7.707 -9.492 1.00 0.42 C ATOM 335 C ILE A 24 -11.672 -8.969 -8.735 1.00 0.39 C ATOM 336 O ILE A 24 -10.646 -9.556 -9.061 1.00 0.43 O ATOM 337 CB ILE A 24 -12.019 -6.434 -8.635 1.00 0.43 C ATOM 338 CG1 ILE A 24 -12.323 -5.199 -9.506 1.00 0.56 C ATOM 339 CG2 ILE A 24 -10.649 -6.291 -7.984 1.00 0.48 C ATOM 340 CD1 ILE A 24 -12.586 -3.947 -8.669 1.00 0.53 C ATOM 0 H ILE A 24 -14.109 -7.250 -9.661 1.00 0.44 H new ATOM 0 HA ILE A 24 -11.361 -7.552 -10.297 1.00 0.42 H new ATOM 0 HB ILE A 24 -12.769 -6.509 -7.848 1.00 0.43 H new ATOM 0 HG12 ILE A 24 -11.484 -5.015 -10.176 1.00 0.56 H new ATOM 0 HG13 ILE A 24 -13.192 -5.404 -10.132 1.00 0.56 H new ATOM 0 HG21 ILE A 24 -10.626 -5.383 -7.381 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -10.457 -7.155 -7.347 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -9.883 -6.233 -8.757 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -12.795 -3.105 -9.329 1.00 0.53 H new ATOM 0 HD12 ILE A 24 -13.443 -4.118 -8.017 1.00 0.53 H new ATOM 0 HD13 ILE A 24 -11.708 -3.723 -8.063 1.00 0.53 H new ATOM 352 N GLU A 25 -12.471 -9.415 -7.762 1.00 0.39 N ATOM 353 CA GLU A 25 -12.143 -10.575 -6.948 1.00 0.45 C ATOM 354 C GLU A 25 -11.747 -11.740 -7.844 1.00 0.47 C ATOM 355 O GLU A 25 -10.665 -12.297 -7.684 1.00 0.50 O ATOM 356 CB GLU A 25 -13.311 -10.964 -6.034 1.00 0.67 C ATOM 357 CG GLU A 25 -13.620 -9.868 -5.005 1.00 0.74 C ATOM 358 CD GLU A 25 -14.816 -10.207 -4.122 1.00 2.41 C ATOM 359 OE1 GLU A 25 -15.462 -11.239 -4.406 1.00 3.84 O ATOM 360 OE2 GLU A 25 -15.069 -9.410 -3.190 1.00 3.06 O ATOM 0 H GLU A 25 -13.361 -8.979 -7.521 1.00 0.39 H new ATOM 0 HA GLU A 25 -11.299 -10.318 -6.307 1.00 0.45 H new ATOM 0 HB2 GLU A 25 -14.198 -11.155 -6.639 1.00 0.67 H new ATOM 0 HB3 GLU A 25 -13.073 -11.893 -5.515 1.00 0.67 H new ATOM 0 HG2 GLU A 25 -12.744 -9.709 -4.377 1.00 0.74 H new ATOM 0 HG3 GLU A 25 -13.813 -8.930 -5.526 1.00 0.74 H new ATOM 367 N LYS A 26 -12.597 -12.080 -8.815 1.00 0.53 N ATOM 368 CA LYS A 26 -12.360 -13.177 -9.724 1.00 0.62 C ATOM 369 C LYS A 26 -11.123 -12.924 -10.594 1.00 0.62 C ATOM 370 O LYS A 26 -10.296 -13.817 -10.768 1.00 0.72 O ATOM 371 CB LYS A 26 -13.635 -13.456 -10.530 1.00 0.72 C ATOM 372 CG LYS A 26 -13.347 -14.629 -11.473 1.00 1.00 C ATOM 373 CD LYS A 26 -14.538 -15.548 -11.778 1.00 1.16 C ATOM 374 CE LYS A 26 -15.600 -14.892 -12.669 1.00 1.29 C ATOM 375 NZ LYS A 26 -16.624 -15.872 -13.096 1.00 1.79 N ATOM 0 H LYS A 26 -13.475 -11.590 -8.985 1.00 0.53 H new ATOM 0 HA LYS A 26 -12.131 -14.081 -9.160 1.00 0.62 H new ATOM 0 HB2 LYS A 26 -14.463 -13.697 -9.863 1.00 0.72 H new ATOM 0 HB3 LYS A 26 -13.929 -12.573 -11.098 1.00 0.72 H new ATOM 0 HG2 LYS A 26 -12.970 -14.230 -12.414 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -12.549 -15.232 -11.040 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -14.174 -16.453 -12.265 1.00 1.16 H new ATOM 0 HD3 LYS A 26 -15.000 -15.855 -10.840 1.00 1.16 H new ATOM 0 HE2 LYS A 26 -16.078 -14.076 -12.128 1.00 1.29 H new ATOM 0 HE3 LYS A 26 -15.123 -14.456 -13.547 1.00 1.29 H new ATOM 0 HZ1 LYS A 26 -17.328 -15.399 -13.697 1.00 1.79 H new ATOM 0 HZ2 LYS A 26 -16.169 -16.638 -13.633 1.00 1.79 H new ATOM 0 HZ3 LYS A 26 -17.095 -16.269 -12.258 1.00 1.79 H new ATOM 389 N GLY A 27 -10.995 -11.719 -11.151 1.00 0.58 N ATOM 390 CA GLY A 27 -9.850 -11.336 -11.961 1.00 0.64 C ATOM 391 C GLY A 27 -8.544 -11.551 -11.198 1.00 0.61 C ATOM 392 O GLY A 27 -7.597 -12.129 -11.724 1.00 0.69 O ATOM 0 H GLY A 27 -11.691 -10.980 -11.049 1.00 0.58 H new ATOM 0 HA2 GLY A 27 -9.839 -11.921 -12.881 1.00 0.64 H new ATOM 0 HA3 GLY A 27 -9.938 -10.289 -12.250 1.00 0.64 H new ATOM 396 N LEU A 28 -8.493 -11.087 -9.950 1.00 0.53 N ATOM 397 CA LEU A 28 -7.328 -11.223 -9.090 1.00 0.54 C ATOM 398 C LEU A 28 -7.147 -12.683 -8.670 1.00 0.55 C ATOM 399 O LEU A 28 -6.017 -13.163 -8.633 1.00 0.54 O ATOM 400 CB LEU A 28 -7.456 -10.270 -7.884 1.00 0.54 C ATOM 401 CG LEU A 28 -7.023 -8.812 -8.158 1.00 0.62 C ATOM 402 CD1 LEU A 28 -5.500 -8.721 -8.273 1.00 1.52 C ATOM 403 CD2 LEU A 28 -7.685 -8.171 -9.379 1.00 1.66 C ATOM 0 H LEU A 28 -9.272 -10.600 -9.506 1.00 0.53 H new ATOM 0 HA LEU A 28 -6.429 -10.938 -9.636 1.00 0.54 H new ATOM 0 HB2 LEU A 28 -8.493 -10.269 -7.549 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -6.856 -10.664 -7.063 1.00 0.54 H new ATOM 0 HG LEU A 28 -7.371 -8.238 -7.299 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -5.211 -7.688 -8.466 1.00 1.52 H new ATOM 0 HD12 LEU A 28 -5.044 -9.058 -7.342 1.00 1.52 H new ATOM 0 HD13 LEU A 28 -5.159 -9.353 -9.093 1.00 1.52 H new ATOM 0 HD21 LEU A 28 -7.323 -7.150 -9.495 1.00 1.66 H new ATOM 0 HD22 LEU A 28 -7.438 -8.747 -10.271 1.00 1.66 H new ATOM 0 HD23 LEU A 28 -8.766 -8.159 -9.242 1.00 1.66 H new ATOM 415 N LYS A 29 -8.246 -13.414 -8.430 1.00 0.60 N ATOM 416 CA LYS A 29 -8.231 -14.849 -8.145 1.00 0.65 C ATOM 417 C LYS A 29 -7.487 -15.633 -9.245 1.00 0.70 C ATOM 418 O LYS A 29 -7.088 -16.772 -9.023 1.00 0.76 O ATOM 419 CB LYS A 29 -9.651 -15.414 -7.907 1.00 0.75 C ATOM 420 CG LYS A 29 -9.726 -16.395 -6.719 1.00 0.96 C ATOM 421 CD LYS A 29 -10.037 -15.732 -5.351 1.00 1.00 C ATOM 422 CE LYS A 29 -11.555 -15.562 -5.101 1.00 1.11 C ATOM 423 NZ LYS A 29 -11.915 -15.012 -3.764 1.00 1.79 N ATOM 0 H LYS A 29 -9.184 -13.014 -8.429 1.00 0.60 H new ATOM 0 HA LYS A 29 -7.680 -14.981 -7.214 1.00 0.65 H new ATOM 0 HB2 LYS A 29 -10.339 -14.587 -7.730 1.00 0.75 H new ATOM 0 HB3 LYS A 29 -9.989 -15.922 -8.810 1.00 0.75 H new ATOM 0 HG2 LYS A 29 -10.493 -17.141 -6.929 1.00 0.96 H new ATOM 0 HG3 LYS A 29 -8.777 -16.926 -6.643 1.00 0.96 H new ATOM 0 HD2 LYS A 29 -9.607 -16.337 -4.553 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -9.554 -14.756 -5.307 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -11.963 -14.905 -5.869 1.00 1.11 H new ATOM 0 HE3 LYS A 29 -12.039 -16.532 -5.221 1.00 1.11 H new ATOM 0 HZ1 LYS A 29 -12.850 -15.369 -3.482 1.00 1.79 H new ATOM 0 HZ2 LYS A 29 -11.206 -15.309 -3.064 1.00 1.79 H new ATOM 0 HZ3 LYS A 29 -11.940 -13.973 -3.811 1.00 1.79 H new ATOM 437 N ARG A 30 -7.317 -15.042 -10.436 1.00 0.71 N ATOM 438 CA ARG A 30 -6.585 -15.636 -11.545 1.00 0.78 C ATOM 439 C ARG A 30 -5.069 -15.703 -11.303 1.00 0.84 C ATOM 440 O ARG A 30 -4.387 -16.459 -11.992 1.00 1.01 O ATOM 441 CB ARG A 30 -6.914 -14.852 -12.826 1.00 0.83 C ATOM 442 CG ARG A 30 -6.727 -15.694 -14.099 1.00 0.94 C ATOM 443 CD ARG A 30 -7.661 -15.204 -15.220 1.00 1.66 C ATOM 444 NE ARG A 30 -7.797 -16.191 -16.307 1.00 1.81 N ATOM 445 CZ ARG A 30 -8.531 -17.316 -16.236 1.00 2.03 C ATOM 446 NH1 ARG A 30 -9.126 -17.650 -15.085 1.00 2.96 N ATOM 447 NH2 ARG A 30 -8.673 -18.098 -17.312 1.00 2.55 N ATOM 0 H ARG A 30 -7.695 -14.120 -10.652 1.00 0.71 H new ATOM 0 HA ARG A 30 -6.905 -16.673 -11.647 1.00 0.78 H new ATOM 0 HB2 ARG A 30 -7.944 -14.498 -12.777 1.00 0.83 H new ATOM 0 HB3 ARG A 30 -6.276 -13.970 -12.881 1.00 0.83 H new ATOM 0 HG2 ARG A 30 -5.690 -15.634 -14.431 1.00 0.94 H new ATOM 0 HG3 ARG A 30 -6.932 -16.742 -13.881 1.00 0.94 H new ATOM 0 HD2 ARG A 30 -8.645 -14.989 -14.802 1.00 1.66 H new ATOM 0 HD3 ARG A 30 -7.277 -14.269 -15.627 1.00 1.66 H new ATOM 0 HE ARG A 30 -7.298 -16.007 -17.177 1.00 1.81 H new ATOM 0 HH11 ARG A 30 -9.022 -17.052 -14.265 1.00 2.96 H new ATOM 0 HH12 ARG A 30 -9.683 -18.502 -15.028 1.00 2.96 H new ATOM 0 HH21 ARG A 30 -8.224 -17.842 -18.191 1.00 2.55 H new ATOM 0 HH22 ARG A 30 -9.231 -18.950 -17.253 1.00 2.55 H new ATOM 461 N MET A 31 -4.525 -14.902 -10.379 1.00 0.71 N ATOM 462 CA MET A 31 -3.101 -14.963 -10.041 1.00 0.71 C ATOM 463 C MET A 31 -2.806 -16.188 -9.164 1.00 0.79 C ATOM 464 O MET A 31 -3.727 -16.729 -8.562 1.00 1.03 O ATOM 465 CB MET A 31 -2.679 -13.647 -9.374 1.00 0.64 C ATOM 466 CG MET A 31 -2.733 -12.498 -10.390 1.00 0.74 C ATOM 467 SD MET A 31 -1.633 -11.111 -10.022 1.00 1.57 S ATOM 468 CE MET A 31 -1.273 -10.536 -11.696 1.00 1.94 C ATOM 0 H MET A 31 -5.051 -14.204 -9.853 1.00 0.71 H new ATOM 0 HA MET A 31 -2.510 -15.082 -10.949 1.00 0.71 H new ATOM 0 HB2 MET A 31 -3.337 -13.430 -8.533 1.00 0.64 H new ATOM 0 HB3 MET A 31 -1.670 -13.741 -8.973 1.00 0.64 H new ATOM 0 HG2 MET A 31 -2.483 -12.891 -11.376 1.00 0.74 H new ATOM 0 HG3 MET A 31 -3.757 -12.127 -10.445 1.00 0.74 H new ATOM 0 HE1 MET A 31 -0.768 -9.571 -11.649 1.00 1.94 H new ATOM 0 HE2 MET A 31 -0.630 -11.258 -12.198 1.00 1.94 H new ATOM 0 HE3 MET A 31 -2.204 -10.431 -12.253 1.00 1.94 H new ATOM 478 N PRO A 32 -1.549 -16.661 -9.085 1.00 0.78 N ATOM 479 CA PRO A 32 -1.210 -17.817 -8.269 1.00 0.82 C ATOM 480 C PRO A 32 -1.110 -17.452 -6.783 1.00 0.78 C ATOM 481 O PRO A 32 -1.632 -18.176 -5.941 1.00 1.22 O ATOM 482 CB PRO A 32 0.111 -18.341 -8.833 1.00 0.94 C ATOM 483 CG PRO A 32 0.778 -17.091 -9.402 1.00 0.95 C ATOM 484 CD PRO A 32 -0.408 -16.259 -9.898 1.00 0.87 C ATOM 0 HA PRO A 32 -1.984 -18.584 -8.313 1.00 0.82 H new ATOM 0 HB2 PRO A 32 0.722 -18.804 -8.059 1.00 0.94 H new ATOM 0 HB3 PRO A 32 -0.053 -19.094 -9.603 1.00 0.94 H new ATOM 0 HG2 PRO A 32 1.353 -16.560 -8.643 1.00 0.95 H new ATOM 0 HG3 PRO A 32 1.466 -17.334 -10.212 1.00 0.95 H new ATOM 0 HD2 PRO A 32 -0.209 -15.193 -9.790 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -0.598 -16.443 -10.955 1.00 0.87 H new ATOM 492 N GLY A 33 -0.466 -16.326 -6.446 1.00 0.72 N ATOM 493 CA GLY A 33 -0.192 -15.967 -5.063 1.00 0.65 C ATOM 494 C GLY A 33 -1.455 -15.580 -4.303 1.00 0.60 C ATOM 495 O GLY A 33 -1.452 -15.532 -3.076 1.00 0.60 O ATOM 0 H GLY A 33 -0.125 -15.647 -7.126 1.00 0.72 H new ATOM 0 HA2 GLY A 33 0.288 -16.807 -4.561 1.00 0.65 H new ATOM 0 HA3 GLY A 33 0.513 -15.136 -5.039 1.00 0.65 H new ATOM 499 N VAL A 34 -2.526 -15.232 -5.016 1.00 0.60 N ATOM 500 CA VAL A 34 -3.777 -14.822 -4.405 1.00 0.56 C ATOM 501 C VAL A 34 -4.314 -15.923 -3.493 1.00 0.54 C ATOM 502 O VAL A 34 -4.523 -17.056 -3.916 1.00 0.77 O ATOM 503 CB VAL A 34 -4.757 -14.381 -5.500 1.00 0.64 C ATOM 504 CG1 VAL A 34 -5.280 -15.590 -6.279 1.00 2.35 C ATOM 505 CG2 VAL A 34 -5.914 -13.556 -4.924 1.00 1.79 C ATOM 0 H VAL A 34 -2.544 -15.229 -6.036 1.00 0.60 H new ATOM 0 HA VAL A 34 -3.622 -13.959 -3.757 1.00 0.56 H new ATOM 0 HB VAL A 34 -4.212 -13.738 -6.191 1.00 0.64 H new ATOM 0 HG11 VAL A 34 -5.973 -15.254 -7.050 1.00 2.35 H new ATOM 0 HG12 VAL A 34 -4.444 -16.112 -6.745 1.00 2.35 H new ATOM 0 HG13 VAL A 34 -5.796 -16.267 -5.598 1.00 2.35 H new ATOM 0 HG21 VAL A 34 -6.587 -13.262 -5.729 1.00 1.79 H new ATOM 0 HG22 VAL A 34 -6.460 -14.155 -4.195 1.00 1.79 H new ATOM 0 HG23 VAL A 34 -5.518 -12.664 -4.438 1.00 1.79 H new ATOM 515 N THR A 35 -4.532 -15.584 -2.226 1.00 0.46 N ATOM 516 CA THR A 35 -5.145 -16.486 -1.279 1.00 0.51 C ATOM 517 C THR A 35 -6.642 -16.242 -1.350 1.00 0.65 C ATOM 518 O THR A 35 -7.409 -17.150 -1.665 1.00 0.81 O ATOM 519 CB THR A 35 -4.589 -16.201 0.115 1.00 0.66 C ATOM 520 OG1 THR A 35 -3.176 -16.208 0.084 1.00 0.85 O ATOM 521 CG2 THR A 35 -5.107 -17.232 1.123 1.00 0.77 C ATOM 0 H THR A 35 -4.286 -14.675 -1.835 1.00 0.46 H new ATOM 0 HA THR A 35 -4.933 -17.531 -1.505 1.00 0.51 H new ATOM 0 HB THR A 35 -4.929 -15.215 0.431 1.00 0.66 H new ATOM 0 HG1 THR A 35 -2.856 -17.124 -0.057 1.00 0.85 H new ATOM 0 HG21 THR A 35 -4.700 -17.012 2.110 1.00 0.77 H new ATOM 0 HG22 THR A 35 -6.195 -17.188 1.161 1.00 0.77 H new ATOM 0 HG23 THR A 35 -4.795 -18.230 0.816 1.00 0.77 H new ATOM 529 N ASP A 36 -7.052 -14.999 -1.082 1.00 0.63 N ATOM 530 CA ASP A 36 -8.438 -14.608 -1.197 1.00 0.78 C ATOM 531 C ASP A 36 -8.531 -13.109 -1.434 1.00 0.64 C ATOM 532 O ASP A 36 -7.783 -12.333 -0.850 1.00 0.82 O ATOM 533 CB ASP A 36 -9.229 -15.019 0.044 1.00 1.01 C ATOM 534 CG ASP A 36 -10.708 -14.787 -0.194 1.00 1.26 C ATOM 535 OD1 ASP A 36 -11.122 -14.931 -1.370 1.00 2.15 O ATOM 536 OD2 ASP A 36 -11.383 -14.435 0.794 1.00 1.67 O ATOM 0 H ASP A 36 -6.429 -14.249 -0.782 1.00 0.63 H new ATOM 0 HA ASP A 36 -8.879 -15.125 -2.049 1.00 0.78 H new ATOM 0 HB2 ASP A 36 -9.048 -16.069 0.271 1.00 1.01 H new ATOM 0 HB3 ASP A 36 -8.895 -14.444 0.907 1.00 1.01 H new ATOM 541 N ALA A 37 -9.437 -12.711 -2.316 1.00 0.66 N ATOM 542 CA ALA A 37 -9.695 -11.328 -2.670 1.00 0.52 C ATOM 543 C ALA A 37 -11.132 -11.040 -2.262 1.00 0.50 C ATOM 544 O ALA A 37 -12.015 -11.783 -2.694 1.00 0.60 O ATOM 545 CB ALA A 37 -9.488 -11.147 -4.177 1.00 0.63 C ATOM 0 H ALA A 37 -10.032 -13.368 -2.821 1.00 0.66 H new ATOM 0 HA ALA A 37 -9.019 -10.637 -2.166 1.00 0.52 H new ATOM 0 HB1 ALA A 37 -9.681 -10.109 -4.449 1.00 0.63 H new ATOM 0 HB2 ALA A 37 -8.462 -11.406 -4.437 1.00 0.63 H new ATOM 0 HB3 ALA A 37 -10.174 -11.797 -4.719 1.00 0.63 H new ATOM 551 N ASN A 38 -11.341 -10.011 -1.430 1.00 0.45 N ATOM 552 CA ASN A 38 -12.653 -9.583 -0.955 1.00 0.50 C ATOM 553 C ASN A 38 -12.771 -8.083 -1.187 1.00 0.45 C ATOM 554 O ASN A 38 -11.808 -7.364 -0.938 1.00 0.38 O ATOM 555 CB ASN A 38 -12.781 -9.835 0.554 1.00 0.57 C ATOM 556 CG ASN A 38 -12.700 -11.311 0.909 1.00 0.77 C ATOM 557 OD1 ASN A 38 -13.715 -11.997 0.933 1.00 1.97 O ATOM 558 ND2 ASN A 38 -11.498 -11.802 1.194 1.00 1.09 N ATOM 0 H ASN A 38 -10.579 -9.442 -1.062 1.00 0.45 H new ATOM 0 HA ASN A 38 -13.428 -10.137 -1.485 1.00 0.50 H new ATOM 0 HB2 ASN A 38 -11.991 -9.295 1.077 1.00 0.57 H new ATOM 0 HB3 ASN A 38 -13.730 -9.432 0.907 1.00 0.57 H new ATOM 0 HD21 ASN A 38 -11.395 -12.785 1.445 1.00 1.09 H new ATOM 0 HD22 ASN A 38 -10.679 -11.195 1.162 1.00 1.09 H new ATOM 565 N VAL A 39 -13.924 -7.569 -1.603 1.00 0.79 N ATOM 566 CA VAL A 39 -14.147 -6.129 -1.659 1.00 0.68 C ATOM 567 C VAL A 39 -15.570 -5.772 -1.233 1.00 1.00 C ATOM 568 O VAL A 39 -16.554 -6.033 -1.925 1.00 1.41 O ATOM 569 CB VAL A 39 -13.676 -5.552 -3.005 1.00 0.89 C ATOM 570 CG1 VAL A 39 -13.947 -6.479 -4.185 1.00 1.64 C ATOM 571 CG2 VAL A 39 -14.217 -4.144 -3.254 1.00 0.72 C ATOM 0 H VAL A 39 -14.720 -8.130 -1.907 1.00 0.79 H new ATOM 0 HA VAL A 39 -13.522 -5.628 -0.921 1.00 0.68 H new ATOM 0 HB VAL A 39 -12.592 -5.472 -2.925 1.00 0.89 H new ATOM 0 HG11 VAL A 39 -13.591 -6.012 -5.103 1.00 1.64 H new ATOM 0 HG12 VAL A 39 -13.426 -7.424 -4.032 1.00 1.64 H new ATOM 0 HG13 VAL A 39 -15.018 -6.664 -4.264 1.00 1.64 H new ATOM 0 HG21 VAL A 39 -13.856 -3.781 -4.216 1.00 0.72 H new ATOM 0 HG22 VAL A 39 -15.307 -4.169 -3.261 1.00 0.72 H new ATOM 0 HG23 VAL A 39 -13.874 -3.477 -2.463 1.00 0.72 H new ATOM 581 N ASN A 40 -15.664 -5.129 -0.066 1.00 0.92 N ATOM 582 CA ASN A 40 -16.916 -4.680 0.507 1.00 1.17 C ATOM 583 C ASN A 40 -17.250 -3.345 -0.131 1.00 0.98 C ATOM 584 O ASN A 40 -16.978 -2.291 0.446 1.00 0.81 O ATOM 585 CB ASN A 40 -16.809 -4.549 2.035 1.00 1.35 C ATOM 586 CG ASN A 40 -17.122 -5.860 2.741 1.00 1.83 C ATOM 587 OD1 ASN A 40 -16.229 -6.551 3.217 1.00 1.76 O ATOM 588 ND2 ASN A 40 -18.405 -6.205 2.829 1.00 3.01 N ATOM 0 H ASN A 40 -14.852 -4.906 0.510 1.00 0.92 H new ATOM 0 HA ASN A 40 -17.706 -5.405 0.310 1.00 1.17 H new ATOM 0 HB2 ASN A 40 -15.803 -4.224 2.302 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -17.496 -3.777 2.382 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -18.670 -7.068 3.304 1.00 3.01 H new ATOM 0 HD22 ASN A 40 -19.123 -5.606 2.421 1.00 3.01 H new ATOM 595 N LEU A 41 -17.900 -3.396 -1.299 1.00 1.11 N ATOM 596 CA LEU A 41 -18.463 -2.214 -1.944 1.00 1.06 C ATOM 597 C LEU A 41 -19.331 -1.407 -0.978 1.00 0.97 C ATOM 598 O LEU A 41 -19.393 -0.187 -1.067 1.00 0.90 O ATOM 599 CB LEU A 41 -19.155 -2.552 -3.278 1.00 1.38 C ATOM 600 CG LEU A 41 -20.557 -3.194 -3.267 1.00 1.83 C ATOM 601 CD1 LEU A 41 -20.643 -4.494 -2.459 1.00 1.86 C ATOM 602 CD2 LEU A 41 -21.694 -2.229 -2.903 1.00 3.37 C ATOM 0 H LEU A 41 -18.048 -4.260 -1.820 1.00 1.11 H new ATOM 0 HA LEU A 41 -17.637 -1.557 -2.216 1.00 1.06 H new ATOM 0 HB2 LEU A 41 -19.224 -1.629 -3.853 1.00 1.38 H new ATOM 0 HB3 LEU A 41 -18.494 -3.222 -3.828 1.00 1.38 H new ATOM 0 HG LEU A 41 -20.712 -3.466 -4.311 1.00 1.83 H new ATOM 0 HD11 LEU A 41 -21.661 -4.882 -2.501 1.00 1.86 H new ATOM 0 HD12 LEU A 41 -19.957 -5.229 -2.879 1.00 1.86 H new ATOM 0 HD13 LEU A 41 -20.373 -4.296 -1.422 1.00 1.86 H new ATOM 0 HD21 LEU A 41 -22.644 -2.763 -2.919 1.00 3.37 H new ATOM 0 HD22 LEU A 41 -21.522 -1.824 -1.906 1.00 3.37 H new ATOM 0 HD23 LEU A 41 -21.724 -1.413 -3.625 1.00 3.37 H new ATOM 614 N ALA A 42 -19.939 -2.081 0.001 1.00 1.08 N ATOM 615 CA ALA A 42 -20.798 -1.465 0.997 1.00 1.10 C ATOM 616 C ALA A 42 -20.060 -0.407 1.819 1.00 0.90 C ATOM 617 O ALA A 42 -20.692 0.517 2.323 1.00 0.91 O ATOM 618 CB ALA A 42 -21.370 -2.540 1.921 1.00 1.38 C ATOM 0 H ALA A 42 -19.842 -3.089 0.120 1.00 1.08 H new ATOM 0 HA ALA A 42 -21.608 -0.961 0.469 1.00 1.10 H new ATOM 0 HB1 ALA A 42 -22.014 -2.074 2.667 1.00 1.38 H new ATOM 0 HB2 ALA A 42 -21.951 -3.252 1.335 1.00 1.38 H new ATOM 0 HB3 ALA A 42 -20.554 -3.062 2.421 1.00 1.38 H new ATOM 624 N THR A 43 -18.740 -0.557 1.977 1.00 0.83 N ATOM 625 CA THR A 43 -17.893 0.469 2.581 1.00 0.78 C ATOM 626 C THR A 43 -16.800 0.917 1.600 1.00 0.64 C ATOM 627 O THR A 43 -15.854 1.591 1.994 1.00 0.71 O ATOM 628 CB THR A 43 -17.323 -0.054 3.910 1.00 0.92 C ATOM 629 OG1 THR A 43 -16.778 -1.348 3.744 1.00 1.00 O ATOM 630 CG2 THR A 43 -18.426 -0.132 4.973 1.00 1.06 C ATOM 0 H THR A 43 -18.232 -1.394 1.689 1.00 0.83 H new ATOM 0 HA THR A 43 -18.487 1.356 2.803 1.00 0.78 H new ATOM 0 HB THR A 43 -16.544 0.638 4.229 1.00 0.92 H new ATOM 0 HG1 THR A 43 -16.419 -1.664 4.599 1.00 1.00 H new ATOM 0 HG21 THR A 43 -18.005 -0.504 5.907 1.00 1.06 H new ATOM 0 HG22 THR A 43 -18.847 0.861 5.134 1.00 1.06 H new ATOM 0 HG23 THR A 43 -19.211 -0.808 4.634 1.00 1.06 H new ATOM 638 N GLU A 44 -16.955 0.559 0.322 1.00 0.57 N ATOM 639 CA GLU A 44 -16.016 0.807 -0.758 1.00 0.56 C ATOM 640 C GLU A 44 -14.580 0.344 -0.452 1.00 0.52 C ATOM 641 O GLU A 44 -13.628 0.989 -0.890 1.00 0.69 O ATOM 642 CB GLU A 44 -16.100 2.274 -1.208 1.00 0.66 C ATOM 643 CG GLU A 44 -17.526 2.638 -1.658 1.00 0.99 C ATOM 644 CD GLU A 44 -17.633 4.071 -2.171 1.00 1.21 C ATOM 645 OE1 GLU A 44 -16.652 4.537 -2.788 1.00 1.35 O ATOM 646 OE2 GLU A 44 -18.706 4.671 -1.949 1.00 2.56 O ATOM 0 H GLU A 44 -17.787 0.062 0.004 1.00 0.57 H new ATOM 0 HA GLU A 44 -16.316 0.182 -1.599 1.00 0.56 H new ATOM 0 HB2 GLU A 44 -15.797 2.926 -0.389 1.00 0.66 H new ATOM 0 HB3 GLU A 44 -15.402 2.446 -2.028 1.00 0.66 H new ATOM 0 HG2 GLU A 44 -17.842 1.951 -2.443 1.00 0.99 H new ATOM 0 HG3 GLU A 44 -18.212 2.503 -0.822 1.00 0.99 H new ATOM 653 N THR A 45 -14.401 -0.793 0.238 1.00 0.48 N ATOM 654 CA THR A 45 -13.109 -1.190 0.773 1.00 0.47 C ATOM 655 C THR A 45 -12.718 -2.528 0.157 1.00 0.41 C ATOM 656 O THR A 45 -13.455 -3.504 0.301 1.00 0.58 O ATOM 657 CB THR A 45 -13.209 -1.277 2.300 1.00 0.64 C ATOM 658 OG1 THR A 45 -13.527 -0.002 2.813 1.00 0.87 O ATOM 659 CG2 THR A 45 -11.881 -1.722 2.905 1.00 0.64 C ATOM 0 H THR A 45 -15.152 -1.455 0.435 1.00 0.48 H new ATOM 0 HA THR A 45 -12.339 -0.459 0.526 1.00 0.47 H new ATOM 0 HB THR A 45 -13.980 -2.003 2.556 1.00 0.64 H new ATOM 0 HG1 THR A 45 -14.408 0.272 2.484 1.00 0.87 H new ATOM 0 HG21 THR A 45 -11.975 -1.777 3.990 1.00 0.64 H new ATOM 0 HG22 THR A 45 -11.614 -2.704 2.514 1.00 0.64 H new ATOM 0 HG23 THR A 45 -11.104 -1.004 2.644 1.00 0.64 H new ATOM 667 N VAL A 46 -11.563 -2.567 -0.511 1.00 0.32 N ATOM 668 CA VAL A 46 -10.960 -3.758 -1.071 1.00 0.30 C ATOM 669 C VAL A 46 -9.935 -4.321 -0.087 1.00 0.34 C ATOM 670 O VAL A 46 -9.011 -3.629 0.329 1.00 0.40 O ATOM 671 CB VAL A 46 -10.385 -3.464 -2.470 1.00 0.35 C ATOM 672 CG1 VAL A 46 -9.436 -2.258 -2.533 1.00 0.49 C ATOM 673 CG2 VAL A 46 -9.648 -4.684 -3.021 1.00 0.45 C ATOM 0 H VAL A 46 -11.006 -1.729 -0.678 1.00 0.32 H new ATOM 0 HA VAL A 46 -11.713 -4.532 -1.218 1.00 0.30 H new ATOM 0 HB VAL A 46 -11.257 -3.219 -3.077 1.00 0.35 H new ATOM 0 HG11 VAL A 46 -9.081 -2.127 -3.555 1.00 0.49 H new ATOM 0 HG12 VAL A 46 -9.967 -1.360 -2.216 1.00 0.49 H new ATOM 0 HG13 VAL A 46 -8.586 -2.429 -1.873 1.00 0.49 H new ATOM 0 HG21 VAL A 46 -9.251 -4.453 -4.009 1.00 0.45 H new ATOM 0 HG22 VAL A 46 -8.828 -4.946 -2.352 1.00 0.45 H new ATOM 0 HG23 VAL A 46 -10.339 -5.524 -3.095 1.00 0.45 H new ATOM 683 N ASN A 47 -10.113 -5.586 0.293 1.00 0.33 N ATOM 684 CA ASN A 47 -9.279 -6.314 1.232 1.00 0.40 C ATOM 685 C ASN A 47 -8.730 -7.526 0.482 1.00 0.33 C ATOM 686 O ASN A 47 -9.468 -8.481 0.227 1.00 0.34 O ATOM 687 CB ASN A 47 -10.091 -6.756 2.463 1.00 0.58 C ATOM 688 CG ASN A 47 -11.058 -5.692 2.970 1.00 1.54 C ATOM 689 OD1 ASN A 47 -10.717 -4.881 3.822 1.00 2.66 O ATOM 690 ND2 ASN A 47 -12.286 -5.697 2.455 1.00 2.58 N ATOM 0 H ASN A 47 -10.881 -6.153 -0.066 1.00 0.33 H new ATOM 0 HA ASN A 47 -8.470 -5.683 1.601 1.00 0.40 H new ATOM 0 HB2 ASN A 47 -10.653 -7.656 2.213 1.00 0.58 H new ATOM 0 HB3 ASN A 47 -9.403 -7.022 3.265 1.00 0.58 H new ATOM 0 HD21 ASN A 47 -12.973 -5.012 2.769 1.00 2.58 H new ATOM 0 HD22 ASN A 47 -12.539 -6.386 1.747 1.00 2.58 H new ATOM 697 N VAL A 48 -7.456 -7.486 0.083 1.00 0.33 N ATOM 698 CA VAL A 48 -6.854 -8.569 -0.688 1.00 0.33 C ATOM 699 C VAL A 48 -5.866 -9.304 0.210 1.00 0.37 C ATOM 700 O VAL A 48 -5.108 -8.670 0.944 1.00 0.47 O ATOM 701 CB VAL A 48 -6.197 -8.067 -1.989 1.00 0.33 C ATOM 702 CG1 VAL A 48 -6.145 -9.207 -3.018 1.00 0.40 C ATOM 703 CG2 VAL A 48 -6.963 -6.901 -2.620 1.00 0.44 C ATOM 0 H VAL A 48 -6.823 -6.712 0.283 1.00 0.33 H new ATOM 0 HA VAL A 48 -7.634 -9.259 -1.010 1.00 0.33 H new ATOM 0 HB VAL A 48 -5.197 -7.724 -1.723 1.00 0.33 H new ATOM 0 HG11 VAL A 48 -5.680 -8.848 -3.936 1.00 0.40 H new ATOM 0 HG12 VAL A 48 -5.561 -10.034 -2.615 1.00 0.40 H new ATOM 0 HG13 VAL A 48 -7.157 -9.549 -3.234 1.00 0.40 H new ATOM 0 HG21 VAL A 48 -6.458 -6.586 -3.533 1.00 0.44 H new ATOM 0 HG22 VAL A 48 -7.978 -7.219 -2.858 1.00 0.44 H new ATOM 0 HG23 VAL A 48 -6.999 -6.067 -1.919 1.00 0.44 H new ATOM 713 N ILE A 49 -5.894 -10.636 0.155 1.00 0.42 N ATOM 714 CA ILE A 49 -5.018 -11.524 0.892 1.00 0.50 C ATOM 715 C ILE A 49 -4.269 -12.378 -0.134 1.00 0.51 C ATOM 716 O ILE A 49 -4.894 -13.063 -0.950 1.00 0.58 O ATOM 717 CB ILE A 49 -5.820 -12.388 1.886 1.00 0.61 C ATOM 718 CG1 ILE A 49 -6.687 -11.494 2.795 1.00 0.73 C ATOM 719 CG2 ILE A 49 -4.856 -13.246 2.722 1.00 0.66 C ATOM 720 CD1 ILE A 49 -7.499 -12.284 3.824 1.00 1.10 C ATOM 0 H ILE A 49 -6.559 -11.139 -0.432 1.00 0.42 H new ATOM 0 HA ILE A 49 -4.305 -10.957 1.491 1.00 0.50 H new ATOM 0 HB ILE A 49 -6.485 -13.050 1.331 1.00 0.61 H new ATOM 0 HG12 ILE A 49 -6.043 -10.786 3.317 1.00 0.73 H new ATOM 0 HG13 ILE A 49 -7.368 -10.910 2.176 1.00 0.73 H new ATOM 0 HG21 ILE A 49 -5.426 -13.855 3.423 1.00 0.66 H new ATOM 0 HG22 ILE A 49 -4.281 -13.895 2.062 1.00 0.66 H new ATOM 0 HG23 ILE A 49 -4.177 -12.597 3.274 1.00 0.66 H new ATOM 0 HD11 ILE A 49 -8.086 -11.595 4.431 1.00 1.10 H new ATOM 0 HD12 ILE A 49 -8.167 -12.974 3.308 1.00 1.10 H new ATOM 0 HD13 ILE A 49 -6.822 -12.847 4.467 1.00 1.10 H new ATOM 732 N TYR A 50 -2.936 -12.324 -0.128 1.00 0.51 N ATOM 733 CA TYR A 50 -2.120 -13.028 -1.117 1.00 0.50 C ATOM 734 C TYR A 50 -0.720 -13.306 -0.588 1.00 0.56 C ATOM 735 O TYR A 50 -0.370 -12.859 0.503 1.00 0.65 O ATOM 736 CB TYR A 50 -2.070 -12.226 -2.425 1.00 0.47 C ATOM 737 CG TYR A 50 -1.571 -10.814 -2.261 1.00 0.45 C ATOM 738 CD1 TYR A 50 -0.200 -10.512 -2.343 1.00 1.87 C ATOM 739 CD2 TYR A 50 -2.505 -9.794 -2.027 1.00 1.94 C ATOM 740 CE1 TYR A 50 0.236 -9.194 -2.132 1.00 1.86 C ATOM 741 CE2 TYR A 50 -2.074 -8.475 -1.874 1.00 1.95 C ATOM 742 CZ TYR A 50 -0.703 -8.182 -1.872 1.00 0.47 C ATOM 743 OH TYR A 50 -0.276 -6.934 -1.531 1.00 0.57 O ATOM 0 H TYR A 50 -2.396 -11.795 0.557 1.00 0.51 H new ATOM 0 HA TYR A 50 -2.584 -13.994 -1.319 1.00 0.50 H new ATOM 0 HB2 TYR A 50 -1.427 -12.747 -3.134 1.00 0.47 H new ATOM 0 HB3 TYR A 50 -3.069 -12.199 -2.861 1.00 0.47 H new ATOM 0 HD1 TYR A 50 0.514 -11.290 -2.567 1.00 1.87 H new ATOM 0 HD2 TYR A 50 -3.557 -10.029 -1.965 1.00 1.94 H new ATOM 0 HE1 TYR A 50 1.289 -8.959 -2.169 1.00 1.86 H new ATOM 0 HE2 TYR A 50 -2.796 -7.681 -1.757 1.00 1.95 H new ATOM 0 HH TYR A 50 -0.751 -6.267 -2.069 1.00 0.57 H new ATOM 753 N ASP A 51 0.084 -14.037 -1.361 1.00 0.58 N ATOM 754 CA ASP A 51 1.425 -14.419 -0.960 1.00 0.64 C ATOM 755 C ASP A 51 2.432 -13.335 -1.352 1.00 0.56 C ATOM 756 O ASP A 51 2.538 -13.010 -2.541 1.00 0.53 O ATOM 757 CB ASP A 51 1.792 -15.756 -1.601 1.00 0.78 C ATOM 758 CG ASP A 51 2.854 -16.406 -0.741 1.00 1.01 C ATOM 759 OD1 ASP A 51 3.994 -15.899 -0.794 1.00 1.92 O ATOM 760 OD2 ASP A 51 2.458 -17.310 0.031 1.00 2.22 O ATOM 0 H ASP A 51 -0.184 -14.378 -2.284 1.00 0.58 H new ATOM 0 HA ASP A 51 1.455 -14.529 0.124 1.00 0.64 H new ATOM 0 HB2 ASP A 51 0.914 -16.398 -1.674 1.00 0.78 H new ATOM 0 HB3 ASP A 51 2.162 -15.605 -2.615 1.00 0.78 H new ATOM 765 N PRO A 52 3.192 -12.750 -0.410 1.00 0.64 N ATOM 766 CA PRO A 52 4.134 -11.679 -0.710 1.00 0.66 C ATOM 767 C PRO A 52 5.422 -12.198 -1.363 1.00 0.69 C ATOM 768 O PRO A 52 6.489 -11.626 -1.147 1.00 0.81 O ATOM 769 CB PRO A 52 4.416 -11.020 0.648 1.00 0.83 C ATOM 770 CG PRO A 52 4.293 -12.192 1.626 1.00 0.92 C ATOM 771 CD PRO A 52 3.193 -13.058 1.012 1.00 0.80 C ATOM 0 HA PRO A 52 3.723 -10.977 -1.435 1.00 0.66 H new ATOM 0 HB2 PRO A 52 5.408 -10.569 0.680 1.00 0.83 H new ATOM 0 HB3 PRO A 52 3.699 -10.230 0.871 1.00 0.83 H new ATOM 0 HG2 PRO A 52 5.231 -12.740 1.716 1.00 0.92 H new ATOM 0 HG3 PRO A 52 4.025 -11.853 2.627 1.00 0.92 H new ATOM 0 HD2 PRO A 52 3.388 -14.117 1.182 1.00 0.80 H new ATOM 0 HD3 PRO A 52 2.225 -12.836 1.461 1.00 0.80 H new ATOM 779 N ALA A 53 5.341 -13.250 -2.181 1.00 0.63 N ATOM 780 CA ALA A 53 6.515 -13.856 -2.808 1.00 0.68 C ATOM 781 C ALA A 53 6.177 -14.613 -4.089 1.00 0.69 C ATOM 782 O ALA A 53 6.947 -15.460 -4.536 1.00 0.98 O ATOM 783 CB ALA A 53 7.221 -14.778 -1.811 1.00 0.76 C ATOM 0 H ALA A 53 4.461 -13.704 -2.426 1.00 0.63 H new ATOM 0 HA ALA A 53 7.183 -13.044 -3.094 1.00 0.68 H new ATOM 0 HB1 ALA A 53 8.094 -15.226 -2.285 1.00 0.76 H new ATOM 0 HB2 ALA A 53 7.536 -14.201 -0.942 1.00 0.76 H new ATOM 0 HB3 ALA A 53 6.536 -15.565 -1.495 1.00 0.76 H new ATOM 789 N GLU A 54 5.051 -14.252 -4.699 1.00 0.62 N ATOM 790 CA GLU A 54 4.610 -14.764 -5.980 1.00 0.66 C ATOM 791 C GLU A 54 4.085 -13.622 -6.845 1.00 0.68 C ATOM 792 O GLU A 54 4.405 -13.538 -8.027 1.00 0.87 O ATOM 793 CB GLU A 54 3.491 -15.790 -5.790 1.00 0.67 C ATOM 794 CG GLU A 54 3.994 -17.125 -5.232 1.00 0.72 C ATOM 795 CD GLU A 54 2.990 -18.230 -5.527 1.00 0.87 C ATOM 796 OE1 GLU A 54 2.815 -18.513 -6.732 1.00 2.05 O ATOM 797 OE2 GLU A 54 2.401 -18.752 -4.559 1.00 1.49 O ATOM 0 H GLU A 54 4.405 -13.573 -4.297 1.00 0.62 H new ATOM 0 HA GLU A 54 5.461 -15.240 -6.467 1.00 0.66 H new ATOM 0 HB2 GLU A 54 2.740 -15.380 -5.115 1.00 0.67 H new ATOM 0 HB3 GLU A 54 2.999 -15.964 -6.747 1.00 0.67 H new ATOM 0 HG2 GLU A 54 4.959 -17.372 -5.675 1.00 0.72 H new ATOM 0 HG3 GLU A 54 4.149 -17.042 -4.156 1.00 0.72 H new ATOM 804 N THR A 55 3.233 -12.770 -6.264 1.00 0.57 N ATOM 805 CA THR A 55 2.456 -11.808 -7.011 1.00 0.61 C ATOM 806 C THR A 55 3.084 -10.434 -6.792 1.00 0.64 C ATOM 807 O THR A 55 3.877 -9.988 -7.615 1.00 0.75 O ATOM 808 CB THR A 55 0.996 -11.970 -6.575 1.00 0.61 C ATOM 809 OG1 THR A 55 0.479 -13.173 -7.110 1.00 0.70 O ATOM 810 CG2 THR A 55 0.126 -10.809 -7.030 1.00 0.76 C ATOM 0 H THR A 55 3.071 -12.738 -5.257 1.00 0.57 H new ATOM 0 HA THR A 55 2.460 -11.955 -8.091 1.00 0.61 H new ATOM 0 HB THR A 55 0.979 -11.991 -5.485 1.00 0.61 H new ATOM 0 HG1 THR A 55 -0.454 -13.280 -6.831 1.00 0.70 H new ATOM 0 HG21 THR A 55 -0.899 -10.970 -6.697 1.00 0.76 H new ATOM 0 HG22 THR A 55 0.505 -9.881 -6.602 1.00 0.76 H new ATOM 0 HG23 THR A 55 0.148 -10.742 -8.118 1.00 0.76 H new ATOM 818 N GLY A 56 2.768 -9.776 -5.675 1.00 0.58 N ATOM 819 CA GLY A 56 3.378 -8.512 -5.325 1.00 0.63 C ATOM 820 C GLY A 56 2.309 -7.439 -5.408 1.00 0.58 C ATOM 821 O GLY A 56 1.650 -7.277 -6.429 1.00 0.60 O ATOM 0 H GLY A 56 2.084 -10.111 -4.997 1.00 0.58 H new ATOM 0 HA2 GLY A 56 3.797 -8.556 -4.320 1.00 0.63 H new ATOM 0 HA3 GLY A 56 4.200 -8.284 -6.003 1.00 0.63 H new ATOM 825 N THR A 57 2.127 -6.729 -4.301 1.00 0.54 N ATOM 826 CA THR A 57 1.147 -5.668 -4.112 1.00 0.51 C ATOM 827 C THR A 57 0.980 -4.755 -5.341 1.00 0.54 C ATOM 828 O THR A 57 -0.139 -4.445 -5.751 1.00 0.52 O ATOM 829 CB THR A 57 1.486 -4.956 -2.801 1.00 0.59 C ATOM 830 OG1 THR A 57 0.380 -4.251 -2.275 1.00 0.89 O ATOM 831 CG2 THR A 57 2.714 -4.078 -2.928 1.00 0.67 C ATOM 0 H THR A 57 2.691 -6.887 -3.466 1.00 0.54 H new ATOM 0 HA THR A 57 0.145 -6.088 -4.022 1.00 0.51 H new ATOM 0 HB THR A 57 1.732 -5.735 -2.079 1.00 0.59 H new ATOM 0 HG1 THR A 57 0.640 -3.813 -1.438 1.00 0.89 H new ATOM 0 HG21 THR A 57 2.915 -3.593 -1.973 1.00 0.67 H new ATOM 0 HG22 THR A 57 3.570 -4.689 -3.212 1.00 0.67 H new ATOM 0 HG23 THR A 57 2.541 -3.319 -3.691 1.00 0.67 H new ATOM 839 N ALA A 58 2.090 -4.364 -5.973 1.00 0.62 N ATOM 840 CA ALA A 58 2.059 -3.511 -7.154 1.00 0.70 C ATOM 841 C ALA A 58 1.288 -4.175 -8.304 1.00 0.68 C ATOM 842 O ALA A 58 0.543 -3.521 -9.031 1.00 0.68 O ATOM 843 CB ALA A 58 3.489 -3.159 -7.568 1.00 0.83 C ATOM 0 H ALA A 58 3.029 -4.631 -5.678 1.00 0.62 H new ATOM 0 HA ALA A 58 1.529 -2.591 -6.910 1.00 0.70 H new ATOM 0 HB1 ALA A 58 3.465 -2.521 -8.451 1.00 0.83 H new ATOM 0 HB2 ALA A 58 3.984 -2.632 -6.753 1.00 0.83 H new ATOM 0 HB3 ALA A 58 4.037 -4.073 -7.795 1.00 0.83 H new ATOM 849 N ALA A 59 1.420 -5.490 -8.463 1.00 0.67 N ATOM 850 CA ALA A 59 0.662 -6.207 -9.473 1.00 0.67 C ATOM 851 C ALA A 59 -0.820 -6.272 -9.100 1.00 0.59 C ATOM 852 O ALA A 59 -1.685 -6.296 -9.972 1.00 0.57 O ATOM 853 CB ALA A 59 1.226 -7.608 -9.645 1.00 0.70 C ATOM 0 H ALA A 59 2.043 -6.074 -7.906 1.00 0.67 H new ATOM 0 HA ALA A 59 0.749 -5.669 -10.417 1.00 0.67 H new ATOM 0 HB1 ALA A 59 0.653 -8.140 -10.404 1.00 0.70 H new ATOM 0 HB2 ALA A 59 2.269 -7.545 -9.956 1.00 0.70 H new ATOM 0 HB3 ALA A 59 1.161 -8.145 -8.699 1.00 0.70 H new ATOM 859 N ILE A 60 -1.127 -6.304 -7.800 1.00 0.58 N ATOM 860 CA ILE A 60 -2.507 -6.306 -7.330 1.00 0.51 C ATOM 861 C ILE A 60 -3.166 -5.007 -7.793 1.00 0.51 C ATOM 862 O ILE A 60 -4.205 -5.030 -8.458 1.00 0.51 O ATOM 863 CB ILE A 60 -2.592 -6.439 -5.797 1.00 0.53 C ATOM 864 CG1 ILE A 60 -1.680 -7.512 -5.194 1.00 0.72 C ATOM 865 CG2 ILE A 60 -4.024 -6.702 -5.336 1.00 0.38 C ATOM 866 CD1 ILE A 60 -2.124 -8.953 -5.405 1.00 0.57 C ATOM 0 H ILE A 60 -0.431 -6.329 -7.054 1.00 0.58 H new ATOM 0 HA ILE A 60 -3.026 -7.169 -7.747 1.00 0.51 H new ATOM 0 HB ILE A 60 -2.240 -5.475 -5.430 1.00 0.53 H new ATOM 0 HG12 ILE A 60 -0.682 -7.393 -5.616 1.00 0.72 H new ATOM 0 HG13 ILE A 60 -1.596 -7.331 -4.122 1.00 0.72 H new ATOM 0 HG21 ILE A 60 -4.046 -6.790 -4.250 1.00 0.38 H new ATOM 0 HG22 ILE A 60 -4.664 -5.876 -5.646 1.00 0.38 H new ATOM 0 HG23 ILE A 60 -4.386 -7.628 -5.783 1.00 0.38 H new ATOM 0 HD11 ILE A 60 -1.406 -9.627 -4.938 1.00 0.57 H new ATOM 0 HD12 ILE A 60 -3.106 -9.101 -4.956 1.00 0.57 H new ATOM 0 HD13 ILE A 60 -2.178 -9.164 -6.473 1.00 0.57 H new ATOM 878 N GLN A 61 -2.534 -3.871 -7.466 1.00 0.55 N ATOM 879 CA GLN A 61 -3.050 -2.580 -7.902 1.00 0.57 C ATOM 880 C GLN A 61 -3.108 -2.553 -9.431 1.00 0.57 C ATOM 881 O GLN A 61 -4.124 -2.150 -9.994 1.00 0.56 O ATOM 882 CB GLN A 61 -2.319 -1.377 -7.268 1.00 0.64 C ATOM 883 CG GLN A 61 -0.948 -1.065 -7.871 1.00 0.70 C ATOM 884 CD GLN A 61 -0.262 0.147 -7.262 1.00 1.13 C ATOM 885 OE1 GLN A 61 0.719 0.010 -6.533 1.00 2.17 O ATOM 886 NE2 GLN A 61 -0.741 1.341 -7.583 1.00 1.05 N ATOM 0 H GLN A 61 -1.680 -3.826 -6.910 1.00 0.55 H new ATOM 0 HA GLN A 61 -4.068 -2.465 -7.529 1.00 0.57 H new ATOM 0 HB2 GLN A 61 -2.951 -0.494 -7.364 1.00 0.64 H new ATOM 0 HB3 GLN A 61 -2.196 -1.566 -6.202 1.00 0.64 H new ATOM 0 HG2 GLN A 61 -0.302 -1.935 -7.747 1.00 0.70 H new ATOM 0 HG3 GLN A 61 -1.063 -0.903 -8.943 1.00 0.70 H new ATOM 0 HE21 GLN A 61 -1.557 1.417 -8.190 1.00 1.05 H new ATOM 0 HE22 GLN A 61 -0.294 2.184 -7.222 1.00 1.05 H new ATOM 895 N GLU A 62 -2.059 -3.049 -10.104 1.00 0.61 N ATOM 896 CA GLU A 62 -2.046 -3.083 -11.556 1.00 0.66 C ATOM 897 C GLU A 62 -3.283 -3.816 -12.077 1.00 0.61 C ATOM 898 O GLU A 62 -3.939 -3.342 -13.007 1.00 0.66 O ATOM 899 CB GLU A 62 -0.752 -3.731 -12.063 1.00 0.74 C ATOM 900 CG GLU A 62 -0.682 -3.685 -13.593 1.00 0.87 C ATOM 901 CD GLU A 62 0.590 -4.287 -14.163 1.00 1.32 C ATOM 902 OE1 GLU A 62 1.239 -5.066 -13.433 1.00 2.05 O ATOM 903 OE2 GLU A 62 0.851 -3.982 -15.346 1.00 2.10 O ATOM 0 H GLU A 62 -1.221 -3.426 -9.662 1.00 0.61 H new ATOM 0 HA GLU A 62 -2.076 -2.062 -11.938 1.00 0.66 H new ATOM 0 HB2 GLU A 62 0.109 -3.214 -11.640 1.00 0.74 H new ATOM 0 HB3 GLU A 62 -0.701 -4.765 -11.723 1.00 0.74 H new ATOM 0 HG2 GLU A 62 -1.541 -4.216 -14.004 1.00 0.87 H new ATOM 0 HG3 GLU A 62 -0.762 -2.649 -13.921 1.00 0.87 H new ATOM 910 N LYS A 63 -3.619 -4.969 -11.488 1.00 0.54 N ATOM 911 CA LYS A 63 -4.746 -5.751 -11.928 1.00 0.52 C ATOM 912 C LYS A 63 -6.039 -4.968 -11.728 1.00 0.46 C ATOM 913 O LYS A 63 -6.841 -4.896 -12.656 1.00 0.48 O ATOM 914 CB LYS A 63 -4.762 -7.093 -11.198 1.00 0.54 C ATOM 915 CG LYS A 63 -4.174 -8.246 -12.016 1.00 1.27 C ATOM 916 CD LYS A 63 -5.174 -8.816 -13.039 1.00 1.24 C ATOM 917 CE LYS A 63 -5.019 -8.251 -14.461 1.00 1.65 C ATOM 918 NZ LYS A 63 -5.850 -8.975 -15.444 1.00 3.17 N ATOM 0 H LYS A 63 -3.112 -5.372 -10.700 1.00 0.54 H new ATOM 0 HA LYS A 63 -4.657 -5.959 -12.994 1.00 0.52 H new ATOM 0 HB2 LYS A 63 -4.202 -6.997 -10.268 1.00 0.54 H new ATOM 0 HB3 LYS A 63 -5.789 -7.338 -10.928 1.00 0.54 H new ATOM 0 HG2 LYS A 63 -3.283 -7.898 -12.539 1.00 1.27 H new ATOM 0 HG3 LYS A 63 -3.857 -9.041 -11.341 1.00 1.27 H new ATOM 0 HD2 LYS A 63 -5.059 -9.899 -13.077 1.00 1.24 H new ATOM 0 HD3 LYS A 63 -6.187 -8.615 -12.690 1.00 1.24 H new ATOM 0 HE2 LYS A 63 -5.294 -7.196 -14.463 1.00 1.65 H new ATOM 0 HE3 LYS A 63 -3.973 -8.308 -14.761 1.00 1.65 H new ATOM 0 HZ1 LYS A 63 -5.713 -8.559 -16.387 1.00 3.17 H new ATOM 0 HZ2 LYS A 63 -5.571 -9.977 -15.463 1.00 3.17 H new ATOM 0 HZ3 LYS A 63 -6.852 -8.899 -15.175 1.00 3.17 H new ATOM 932 N ILE A 64 -6.237 -4.370 -10.549 1.00 0.43 N ATOM 933 CA ILE A 64 -7.392 -3.510 -10.303 1.00 0.43 C ATOM 934 C ILE A 64 -7.500 -2.466 -11.418 1.00 0.48 C ATOM 935 O ILE A 64 -8.573 -2.271 -11.992 1.00 0.53 O ATOM 936 CB ILE A 64 -7.300 -2.881 -8.900 1.00 0.43 C ATOM 937 CG1 ILE A 64 -7.440 -3.993 -7.839 1.00 0.43 C ATOM 938 CG2 ILE A 64 -8.413 -1.843 -8.704 1.00 0.46 C ATOM 939 CD1 ILE A 64 -7.011 -3.567 -6.432 1.00 0.59 C ATOM 0 H ILE A 64 -5.610 -4.468 -9.751 1.00 0.43 H new ATOM 0 HA ILE A 64 -8.309 -4.099 -10.320 1.00 0.43 H new ATOM 0 HB ILE A 64 -6.336 -2.383 -8.795 1.00 0.43 H new ATOM 0 HG12 ILE A 64 -8.479 -4.322 -7.807 1.00 0.43 H new ATOM 0 HG13 ILE A 64 -6.843 -4.851 -8.146 1.00 0.43 H new ATOM 0 HG21 ILE A 64 -8.334 -1.408 -7.708 1.00 0.46 H new ATOM 0 HG22 ILE A 64 -8.313 -1.057 -9.452 1.00 0.46 H new ATOM 0 HG23 ILE A 64 -9.384 -2.326 -8.813 1.00 0.46 H new ATOM 0 HD11 ILE A 64 -7.139 -4.403 -5.744 1.00 0.59 H new ATOM 0 HD12 ILE A 64 -5.964 -3.266 -6.447 1.00 0.59 H new ATOM 0 HD13 ILE A 64 -7.625 -2.729 -6.103 1.00 0.59 H new ATOM 951 N GLU A 65 -6.381 -1.828 -11.771 1.00 0.49 N ATOM 952 CA GLU A 65 -6.391 -0.872 -12.862 1.00 0.54 C ATOM 953 C GLU A 65 -6.800 -1.517 -14.188 1.00 0.60 C ATOM 954 O GLU A 65 -7.705 -1.023 -14.854 1.00 0.65 O ATOM 955 CB GLU A 65 -5.044 -0.178 -12.997 1.00 0.57 C ATOM 956 CG GLU A 65 -4.667 0.684 -11.793 1.00 0.53 C ATOM 957 CD GLU A 65 -3.517 1.608 -12.171 1.00 0.92 C ATOM 958 OE1 GLU A 65 -2.869 1.298 -13.201 1.00 1.70 O ATOM 959 OE2 GLU A 65 -3.321 2.596 -11.435 1.00 1.45 O ATOM 0 H GLU A 65 -5.475 -1.958 -11.321 1.00 0.49 H new ATOM 0 HA GLU A 65 -7.143 -0.121 -12.618 1.00 0.54 H new ATOM 0 HB2 GLU A 65 -4.271 -0.932 -13.147 1.00 0.57 H new ATOM 0 HB3 GLU A 65 -5.057 0.448 -13.889 1.00 0.57 H new ATOM 0 HG2 GLU A 65 -5.527 1.270 -11.468 1.00 0.53 H new ATOM 0 HG3 GLU A 65 -4.378 0.050 -10.955 1.00 0.53 H new ATOM 966 N LYS A 66 -6.134 -2.600 -14.609 1.00 0.57 N ATOM 967 CA LYS A 66 -6.482 -3.290 -15.847 1.00 0.64 C ATOM 968 C LYS A 66 -7.950 -3.746 -15.874 1.00 0.64 C ATOM 969 O LYS A 66 -8.555 -3.753 -16.943 1.00 0.72 O ATOM 970 CB LYS A 66 -5.529 -4.462 -16.110 1.00 0.67 C ATOM 971 CG LYS A 66 -4.329 -4.084 -16.995 1.00 0.92 C ATOM 972 CD LYS A 66 -3.061 -3.638 -16.249 1.00 1.58 C ATOM 973 CE LYS A 66 -2.630 -2.182 -16.483 1.00 2.96 C ATOM 974 NZ LYS A 66 -3.427 -1.220 -15.695 1.00 4.73 N ATOM 0 H LYS A 66 -5.350 -3.014 -14.105 1.00 0.57 H new ATOM 0 HA LYS A 66 -6.366 -2.568 -16.656 1.00 0.64 H new ATOM 0 HB2 LYS A 66 -5.163 -4.844 -15.157 1.00 0.67 H new ATOM 0 HB3 LYS A 66 -6.082 -5.271 -16.587 1.00 0.67 H new ATOM 0 HG2 LYS A 66 -4.078 -4.942 -17.619 1.00 0.92 H new ATOM 0 HG3 LYS A 66 -4.635 -3.281 -17.665 1.00 0.92 H new ATOM 0 HD2 LYS A 66 -3.220 -3.784 -15.181 1.00 1.58 H new ATOM 0 HD3 LYS A 66 -2.240 -4.293 -16.542 1.00 1.58 H new ATOM 0 HE2 LYS A 66 -1.577 -2.073 -16.225 1.00 2.96 H new ATOM 0 HE3 LYS A 66 -2.725 -1.945 -17.543 1.00 2.96 H new ATOM 0 HZ1 LYS A 66 -2.802 -0.482 -15.313 1.00 4.73 H new ATOM 0 HZ2 LYS A 66 -4.146 -0.782 -16.306 1.00 4.73 H new ATOM 0 HZ3 LYS A 66 -3.895 -1.717 -14.911 1.00 4.73 H new ATOM 988 N LEU A 67 -8.539 -4.118 -14.732 1.00 0.59 N ATOM 989 CA LEU A 67 -9.961 -4.421 -14.646 1.00 0.62 C ATOM 990 C LEU A 67 -10.846 -3.208 -14.977 1.00 0.64 C ATOM 991 O LEU A 67 -12.027 -3.389 -15.264 1.00 0.69 O ATOM 992 CB LEU A 67 -10.256 -5.004 -13.256 1.00 0.58 C ATOM 993 CG LEU A 67 -10.146 -6.534 -13.144 1.00 0.70 C ATOM 994 CD1 LEU A 67 -11.479 -7.186 -13.536 1.00 1.77 C ATOM 995 CD2 LEU A 67 -9.004 -7.190 -13.931 1.00 2.22 C ATOM 0 H LEU A 67 -8.040 -4.216 -13.848 1.00 0.59 H new ATOM 0 HA LEU A 67 -10.212 -5.163 -15.404 1.00 0.62 H new ATOM 0 HB2 LEU A 67 -9.569 -4.554 -12.539 1.00 0.58 H new ATOM 0 HB3 LEU A 67 -11.263 -4.707 -12.963 1.00 0.58 H new ATOM 0 HG LEU A 67 -9.902 -6.711 -12.096 1.00 0.70 H new ATOM 0 HD11 LEU A 67 -11.392 -8.269 -13.454 1.00 1.77 H new ATOM 0 HD12 LEU A 67 -12.266 -6.834 -12.870 1.00 1.77 H new ATOM 0 HD13 LEU A 67 -11.727 -6.919 -14.563 1.00 1.77 H new ATOM 0 HD21 LEU A 67 -9.027 -8.269 -13.775 1.00 2.22 H new ATOM 0 HD22 LEU A 67 -9.123 -6.974 -14.993 1.00 2.22 H new ATOM 0 HD23 LEU A 67 -8.049 -6.794 -13.585 1.00 2.22 H new ATOM 1007 N GLY A 68 -10.291 -1.993 -14.963 1.00 0.66 N ATOM 1008 CA GLY A 68 -10.975 -0.769 -15.356 1.00 0.69 C ATOM 1009 C GLY A 68 -11.479 -0.014 -14.132 1.00 0.64 C ATOM 1010 O GLY A 68 -12.596 0.500 -14.136 1.00 0.73 O ATOM 0 H GLY A 68 -9.327 -1.835 -14.669 1.00 0.66 H new ATOM 0 HA2 GLY A 68 -10.296 -0.135 -15.926 1.00 0.69 H new ATOM 0 HA3 GLY A 68 -11.812 -1.009 -16.011 1.00 0.69 H new ATOM 1014 N TYR A 69 -10.653 0.044 -13.085 1.00 0.53 N ATOM 1015 CA TYR A 69 -10.952 0.737 -11.834 1.00 0.50 C ATOM 1016 C TYR A 69 -9.771 1.631 -11.454 1.00 0.46 C ATOM 1017 O TYR A 69 -8.750 1.624 -12.136 1.00 0.50 O ATOM 1018 CB TYR A 69 -11.259 -0.301 -10.749 1.00 0.49 C ATOM 1019 CG TYR A 69 -12.467 -1.150 -11.085 1.00 0.54 C ATOM 1020 CD1 TYR A 69 -13.758 -0.702 -10.764 1.00 2.03 C ATOM 1021 CD2 TYR A 69 -12.306 -2.289 -11.894 1.00 1.70 C ATOM 1022 CE1 TYR A 69 -14.882 -1.334 -11.321 1.00 2.12 C ATOM 1023 CE2 TYR A 69 -13.432 -2.933 -12.434 1.00 1.71 C ATOM 1024 CZ TYR A 69 -14.714 -2.427 -12.186 1.00 0.86 C ATOM 1025 OH TYR A 69 -15.798 -3.012 -12.772 1.00 1.13 O ATOM 0 H TYR A 69 -9.735 -0.401 -13.086 1.00 0.53 H new ATOM 0 HA TYR A 69 -11.828 1.376 -11.947 1.00 0.50 H new ATOM 0 HB2 TYR A 69 -10.392 -0.947 -10.612 1.00 0.49 H new ATOM 0 HB3 TYR A 69 -11.429 0.209 -9.801 1.00 0.49 H new ATOM 0 HD1 TYR A 69 -13.887 0.130 -10.088 1.00 2.03 H new ATOM 0 HD2 TYR A 69 -11.316 -2.669 -12.100 1.00 1.70 H new ATOM 0 HE1 TYR A 69 -15.874 -0.980 -11.084 1.00 2.12 H new ATOM 0 HE2 TYR A 69 -13.309 -3.818 -13.040 1.00 1.71 H new ATOM 0 HH TYR A 69 -16.617 -2.685 -12.345 1.00 1.13 H new ATOM 1035 N HIS A 70 -9.907 2.407 -10.375 1.00 0.44 N ATOM 1036 CA HIS A 70 -8.818 3.213 -9.833 1.00 0.43 C ATOM 1037 C HIS A 70 -8.751 2.995 -8.327 1.00 0.42 C ATOM 1038 O HIS A 70 -9.787 2.914 -7.673 1.00 0.50 O ATOM 1039 CB HIS A 70 -9.027 4.695 -10.170 1.00 0.54 C ATOM 1040 CG HIS A 70 -8.422 5.087 -11.494 1.00 0.71 C ATOM 1041 ND1 HIS A 70 -7.178 5.653 -11.675 1.00 1.56 N ATOM 1042 CD2 HIS A 70 -8.982 4.916 -12.732 1.00 2.19 C ATOM 1043 CE1 HIS A 70 -7.005 5.829 -12.997 1.00 1.38 C ATOM 1044 NE2 HIS A 70 -8.078 5.403 -13.681 1.00 2.05 N ATOM 0 H HIS A 70 -10.780 2.492 -9.854 1.00 0.44 H new ATOM 0 HA HIS A 70 -7.872 2.908 -10.281 1.00 0.43 H new ATOM 0 HB2 HIS A 70 -10.095 4.911 -10.186 1.00 0.54 H new ATOM 0 HB3 HIS A 70 -8.590 5.307 -9.381 1.00 0.54 H new ATOM 0 HD2 HIS A 70 -9.949 4.482 -12.938 1.00 2.19 H new ATOM 0 HE1 HIS A 70 -6.121 6.256 -13.448 1.00 1.38 H new ATOM 0 HE2 HIS A 70 -8.208 5.429 -14.692 1.00 2.05 H new ATOM 1052 N VAL A 71 -7.539 2.891 -7.782 1.00 0.45 N ATOM 1053 CA VAL A 71 -7.312 2.723 -6.357 1.00 0.50 C ATOM 1054 C VAL A 71 -7.311 4.093 -5.674 1.00 0.57 C ATOM 1055 O VAL A 71 -6.753 5.054 -6.203 1.00 0.60 O ATOM 1056 CB VAL A 71 -6.012 1.932 -6.117 1.00 0.48 C ATOM 1057 CG1 VAL A 71 -6.184 0.483 -6.589 1.00 0.54 C ATOM 1058 CG2 VAL A 71 -4.773 2.536 -6.801 1.00 0.45 C ATOM 0 H VAL A 71 -6.679 2.922 -8.330 1.00 0.45 H new ATOM 0 HA VAL A 71 -8.119 2.140 -5.913 1.00 0.50 H new ATOM 0 HB VAL A 71 -5.834 1.978 -5.043 1.00 0.48 H new ATOM 0 HG11 VAL A 71 -5.260 -0.068 -6.415 1.00 0.54 H new ATOM 0 HG12 VAL A 71 -6.996 0.014 -6.034 1.00 0.54 H new ATOM 0 HG13 VAL A 71 -6.418 0.472 -7.653 1.00 0.54 H new ATOM 0 HG21 VAL A 71 -3.900 1.920 -6.583 1.00 0.45 H new ATOM 0 HG22 VAL A 71 -4.933 2.570 -7.879 1.00 0.45 H new ATOM 0 HG23 VAL A 71 -4.607 3.546 -6.427 1.00 0.45 H new ATOM 1068 N VAL A 72 -7.904 4.188 -4.483 1.00 0.67 N ATOM 1069 CA VAL A 72 -7.934 5.426 -3.720 1.00 0.80 C ATOM 1070 C VAL A 72 -6.592 5.510 -2.998 1.00 0.83 C ATOM 1071 O VAL A 72 -6.477 5.162 -1.824 1.00 1.25 O ATOM 1072 CB VAL A 72 -9.117 5.419 -2.737 1.00 1.00 C ATOM 1073 CG1 VAL A 72 -9.178 6.708 -1.902 1.00 1.20 C ATOM 1074 CG2 VAL A 72 -10.460 5.267 -3.459 1.00 1.04 C ATOM 0 H VAL A 72 -8.375 3.408 -4.025 1.00 0.67 H new ATOM 0 HA VAL A 72 -8.076 6.297 -4.359 1.00 0.80 H new ATOM 0 HB VAL A 72 -8.948 4.563 -2.084 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -10.028 6.661 -1.221 1.00 1.20 H new ATOM 0 HG12 VAL A 72 -8.258 6.813 -1.327 1.00 1.20 H new ATOM 0 HG13 VAL A 72 -9.291 7.566 -2.565 1.00 1.20 H new ATOM 0 HG21 VAL A 72 -11.268 5.267 -2.728 1.00 1.04 H new ATOM 0 HG22 VAL A 72 -10.597 6.098 -4.151 1.00 1.04 H new ATOM 0 HG23 VAL A 72 -10.471 4.328 -4.012 1.00 1.04 H new ATOM 1084 N THR A 73 -5.563 5.936 -3.731 1.00 0.56 N ATOM 1085 CA THR A 73 -4.219 6.039 -3.197 1.00 0.53 C ATOM 1086 C THR A 73 -3.517 7.245 -3.801 1.00 0.65 C ATOM 1087 O THR A 73 -3.767 7.576 -4.959 1.00 0.82 O ATOM 1088 CB THR A 73 -3.424 4.757 -3.489 1.00 0.56 C ATOM 1089 OG1 THR A 73 -4.261 3.638 -3.702 1.00 0.64 O ATOM 1090 CG2 THR A 73 -2.570 4.478 -2.265 1.00 0.79 C ATOM 0 H THR A 73 -5.645 6.217 -4.708 1.00 0.56 H new ATOM 0 HA THR A 73 -4.278 6.166 -2.116 1.00 0.53 H new ATOM 0 HB THR A 73 -2.838 4.908 -4.395 1.00 0.56 H new ATOM 0 HG1 THR A 73 -3.724 2.885 -4.025 1.00 0.64 H new ATOM 0 HG21 THR A 73 -1.986 3.572 -2.428 1.00 0.79 H new ATOM 0 HG22 THR A 73 -1.897 5.318 -2.092 1.00 0.79 H new ATOM 0 HG23 THR A 73 -3.213 4.343 -1.396 1.00 0.79 H new ATOM 1098 N GLU A 74 -2.633 7.876 -3.021 1.00 0.63 N ATOM 1099 CA GLU A 74 -1.845 9.013 -3.457 1.00 0.68 C ATOM 1100 C GLU A 74 -0.375 8.745 -3.134 1.00 0.57 C ATOM 1101 O GLU A 74 -0.049 8.294 -2.036 1.00 0.52 O ATOM 1102 CB GLU A 74 -2.368 10.292 -2.792 1.00 0.79 C ATOM 1103 CG GLU A 74 -3.841 10.522 -3.170 1.00 1.49 C ATOM 1104 CD GLU A 74 -4.351 11.875 -2.697 1.00 2.43 C ATOM 1105 OE1 GLU A 74 -3.846 12.882 -3.237 1.00 2.88 O ATOM 1106 OE2 GLU A 74 -5.243 11.871 -1.820 1.00 3.54 O ATOM 0 H GLU A 74 -2.449 7.600 -2.056 1.00 0.63 H new ATOM 0 HA GLU A 74 -1.933 9.156 -4.534 1.00 0.68 H new ATOM 0 HB2 GLU A 74 -2.271 10.214 -1.709 1.00 0.79 H new ATOM 0 HB3 GLU A 74 -1.767 11.146 -3.105 1.00 0.79 H new ATOM 0 HG2 GLU A 74 -3.952 10.452 -4.252 1.00 1.49 H new ATOM 0 HG3 GLU A 74 -4.454 9.732 -2.735 1.00 1.49 H new ATOM 1113 N LYS A 75 0.494 9.007 -4.112 1.00 0.63 N ATOM 1114 CA LYS A 75 1.937 8.849 -4.011 1.00 0.66 C ATOM 1115 C LYS A 75 2.521 10.103 -3.359 1.00 0.64 C ATOM 1116 O LYS A 75 2.907 11.047 -4.045 1.00 0.77 O ATOM 1117 CB LYS A 75 2.524 8.516 -5.395 1.00 0.85 C ATOM 1118 CG LYS A 75 2.359 9.629 -6.434 1.00 0.97 C ATOM 1119 CD LYS A 75 2.309 9.044 -7.852 1.00 1.40 C ATOM 1120 CE LYS A 75 1.997 10.127 -8.893 1.00 2.22 C ATOM 1121 NZ LYS A 75 2.979 11.231 -8.865 1.00 2.54 N ATOM 0 H LYS A 75 0.197 9.347 -5.027 1.00 0.63 H new ATOM 0 HA LYS A 75 2.207 8.008 -3.372 1.00 0.66 H new ATOM 0 HB2 LYS A 75 3.585 8.294 -5.283 1.00 0.85 H new ATOM 0 HB3 LYS A 75 2.047 7.611 -5.771 1.00 0.85 H new ATOM 0 HG2 LYS A 75 1.445 10.188 -6.233 1.00 0.97 H new ATOM 0 HG3 LYS A 75 3.187 10.333 -6.355 1.00 0.97 H new ATOM 0 HD2 LYS A 75 3.264 8.575 -8.088 1.00 1.40 H new ATOM 0 HD3 LYS A 75 1.550 8.263 -7.899 1.00 1.40 H new ATOM 0 HE2 LYS A 75 1.985 9.680 -9.887 1.00 2.22 H new ATOM 0 HE3 LYS A 75 0.999 10.526 -8.711 1.00 2.22 H new ATOM 0 HZ1 LYS A 75 2.819 11.858 -9.679 1.00 2.54 H new ATOM 0 HZ2 LYS A 75 2.868 11.772 -7.984 1.00 2.54 H new ATOM 0 HZ3 LYS A 75 3.942 10.841 -8.913 1.00 2.54 H new ATOM 1135 N ALA A 76 2.537 10.131 -2.026 1.00 0.57 N ATOM 1136 CA ALA A 76 3.071 11.281 -1.295 1.00 0.60 C ATOM 1137 C ALA A 76 4.578 11.113 -1.086 1.00 0.62 C ATOM 1138 O ALA A 76 5.090 10.004 -1.235 1.00 0.80 O ATOM 1139 CB ALA A 76 2.312 11.462 0.020 1.00 0.58 C ATOM 0 H ALA A 76 2.189 9.377 -1.434 1.00 0.57 H new ATOM 0 HA ALA A 76 2.927 12.191 -1.877 1.00 0.60 H new ATOM 0 HB1 ALA A 76 2.716 12.320 0.558 1.00 0.58 H new ATOM 0 HB2 ALA A 76 1.256 11.629 -0.190 1.00 0.58 H new ATOM 0 HB3 ALA A 76 2.423 10.566 0.631 1.00 0.58 H new ATOM 1145 N GLU A 77 5.292 12.194 -0.741 1.00 0.57 N ATOM 1146 CA GLU A 77 6.735 12.180 -0.544 1.00 0.60 C ATOM 1147 C GLU A 77 7.090 12.852 0.781 1.00 0.53 C ATOM 1148 O GLU A 77 6.664 13.974 1.060 1.00 0.63 O ATOM 1149 CB GLU A 77 7.464 12.846 -1.717 1.00 0.88 C ATOM 1150 CG GLU A 77 7.252 12.074 -3.028 1.00 1.18 C ATOM 1151 CD GLU A 77 8.084 12.627 -4.180 1.00 1.83 C ATOM 1152 OE1 GLU A 77 8.947 13.491 -3.910 1.00 2.05 O ATOM 1153 OE2 GLU A 77 7.835 12.173 -5.319 1.00 3.02 O ATOM 0 H GLU A 77 4.871 13.111 -0.591 1.00 0.57 H new ATOM 0 HA GLU A 77 7.067 11.143 -0.505 1.00 0.60 H new ATOM 0 HB2 GLU A 77 7.106 13.869 -1.835 1.00 0.88 H new ATOM 0 HB3 GLU A 77 8.530 12.905 -1.497 1.00 0.88 H new ATOM 0 HG2 GLU A 77 7.507 11.026 -2.872 1.00 1.18 H new ATOM 0 HG3 GLU A 77 6.197 12.109 -3.298 1.00 1.18 H new ATOM 1160 N PHE A 78 7.861 12.134 1.596 1.00 0.50 N ATOM 1161 CA PHE A 78 8.303 12.548 2.911 1.00 0.53 C ATOM 1162 C PHE A 78 9.830 12.609 2.908 1.00 0.56 C ATOM 1163 O PHE A 78 10.486 11.925 2.126 1.00 0.64 O ATOM 1164 CB PHE A 78 7.781 11.563 3.969 1.00 0.57 C ATOM 1165 CG PHE A 78 6.298 11.683 4.289 1.00 0.53 C ATOM 1166 CD1 PHE A 78 5.328 11.396 3.309 1.00 2.01 C ATOM 1167 CD2 PHE A 78 5.878 12.114 5.561 1.00 1.99 C ATOM 1168 CE1 PHE A 78 3.976 11.704 3.539 1.00 2.02 C ATOM 1169 CE2 PHE A 78 4.522 12.372 5.806 1.00 2.07 C ATOM 1170 CZ PHE A 78 3.579 12.226 4.778 1.00 0.85 C ATOM 0 H PHE A 78 8.205 11.209 1.339 1.00 0.50 H new ATOM 0 HA PHE A 78 7.909 13.534 3.158 1.00 0.53 H new ATOM 0 HB2 PHE A 78 7.982 10.548 3.628 1.00 0.57 H new ATOM 0 HB3 PHE A 78 8.348 11.708 4.889 1.00 0.57 H new ATOM 0 HD1 PHE A 78 5.624 10.937 2.377 1.00 2.01 H new ATOM 0 HD2 PHE A 78 6.602 12.246 6.351 1.00 1.99 H new ATOM 0 HE1 PHE A 78 3.244 11.539 2.762 1.00 2.02 H new ATOM 0 HE2 PHE A 78 4.202 12.684 6.789 1.00 2.07 H new ATOM 0 HZ PHE A 78 2.551 12.515 4.940 1.00 0.85 H new ATOM 1180 N ASP A 79 10.381 13.449 3.777 1.00 0.56 N ATOM 1181 CA ASP A 79 11.802 13.665 4.000 1.00 0.59 C ATOM 1182 C ASP A 79 12.185 12.930 5.290 1.00 0.59 C ATOM 1183 O ASP A 79 11.299 12.690 6.107 1.00 0.63 O ATOM 1184 CB ASP A 79 12.005 15.181 4.081 1.00 0.67 C ATOM 1185 CG ASP A 79 13.428 15.590 3.758 1.00 1.32 C ATOM 1186 OD1 ASP A 79 14.316 15.154 4.516 1.00 1.62 O ATOM 1187 OD2 ASP A 79 13.578 16.332 2.760 1.00 2.37 O ATOM 0 H ASP A 79 9.807 14.035 4.383 1.00 0.56 H new ATOM 0 HA ASP A 79 12.440 13.277 3.206 1.00 0.59 H new ATOM 0 HB2 ASP A 79 11.322 15.674 3.389 1.00 0.67 H new ATOM 0 HB3 ASP A 79 11.749 15.526 5.083 1.00 0.67 H new ATOM 1192 N ILE A 80 13.427 12.479 5.467 1.00 0.61 N ATOM 1193 CA ILE A 80 13.793 11.584 6.566 1.00 0.61 C ATOM 1194 C ILE A 80 14.912 12.204 7.394 1.00 0.60 C ATOM 1195 O ILE A 80 16.012 12.380 6.876 1.00 0.64 O ATOM 1196 CB ILE A 80 14.252 10.231 6.004 1.00 0.68 C ATOM 1197 CG1 ILE A 80 13.212 9.655 5.035 1.00 0.51 C ATOM 1198 CG2 ILE A 80 14.507 9.247 7.155 1.00 0.87 C ATOM 1199 CD1 ILE A 80 13.851 8.596 4.159 1.00 0.78 C ATOM 0 H ILE A 80 14.206 12.723 4.855 1.00 0.61 H new ATOM 0 HA ILE A 80 12.922 11.432 7.204 1.00 0.61 H new ATOM 0 HB ILE A 80 15.179 10.385 5.451 1.00 0.68 H new ATOM 0 HG12 ILE A 80 12.381 9.224 5.594 1.00 0.51 H new ATOM 0 HG13 ILE A 80 12.800 10.451 4.415 1.00 0.51 H new ATOM 0 HG21 ILE A 80 14.832 8.289 6.749 1.00 0.87 H new ATOM 0 HG22 ILE A 80 15.282 9.646 7.810 1.00 0.87 H new ATOM 0 HG23 ILE A 80 13.588 9.107 7.724 1.00 0.87 H new ATOM 0 HD11 ILE A 80 13.106 8.192 3.474 1.00 0.78 H new ATOM 0 HD12 ILE A 80 14.666 9.040 3.588 1.00 0.78 H new ATOM 0 HD13 ILE A 80 14.241 7.793 4.785 1.00 0.78 H new ATOM 1211 N GLU A 81 14.676 12.461 8.687 1.00 0.68 N ATOM 1212 CA GLU A 81 15.706 13.032 9.546 1.00 0.80 C ATOM 1213 C GLU A 81 16.154 11.983 10.569 1.00 0.91 C ATOM 1214 O GLU A 81 15.609 11.869 11.666 1.00 1.26 O ATOM 1215 CB GLU A 81 15.271 14.412 10.076 1.00 1.05 C ATOM 1216 CG GLU A 81 14.008 14.441 10.940 1.00 1.84 C ATOM 1217 CD GLU A 81 13.476 15.841 11.244 1.00 1.94 C ATOM 1218 OE1 GLU A 81 13.318 16.638 10.293 1.00 2.49 O ATOM 1219 OE2 GLU A 81 13.195 16.075 12.440 1.00 2.93 O ATOM 0 H GLU A 81 13.786 12.282 9.153 1.00 0.68 H new ATOM 0 HA GLU A 81 16.616 13.268 8.994 1.00 0.80 H new ATOM 0 HB2 GLU A 81 16.093 14.829 10.658 1.00 1.05 H new ATOM 0 HB3 GLU A 81 15.117 15.073 9.223 1.00 1.05 H new ATOM 0 HG2 GLU A 81 13.227 13.871 10.437 1.00 1.84 H new ATOM 0 HG3 GLU A 81 14.216 13.934 11.882 1.00 1.84 H new ATOM 1226 N GLY A 82 17.147 11.175 10.178 1.00 1.01 N ATOM 1227 CA GLY A 82 17.729 10.159 11.044 1.00 1.26 C ATOM 1228 C GLY A 82 18.743 9.291 10.300 1.00 1.27 C ATOM 1229 O GLY A 82 19.913 9.254 10.674 1.00 1.93 O ATOM 0 H GLY A 82 17.566 11.213 9.249 1.00 1.01 H new ATOM 0 HA2 GLY A 82 18.216 10.640 11.892 1.00 1.26 H new ATOM 0 HA3 GLY A 82 16.937 9.528 11.447 1.00 1.26 H new ATOM 1233 N MET A 83 18.293 8.563 9.270 1.00 0.83 N ATOM 1234 CA MET A 83 19.112 7.626 8.524 1.00 0.87 C ATOM 1235 C MET A 83 20.428 8.260 8.049 1.00 1.16 C ATOM 1236 O MET A 83 20.420 9.257 7.335 1.00 1.92 O ATOM 1237 CB MET A 83 18.268 7.027 7.380 1.00 1.08 C ATOM 1238 CG MET A 83 18.096 7.953 6.170 1.00 1.20 C ATOM 1239 SD MET A 83 19.296 7.599 4.855 1.00 2.53 S ATOM 1240 CE MET A 83 19.413 9.226 4.096 1.00 2.95 C ATOM 0 H MET A 83 17.332 8.617 8.934 1.00 0.83 H new ATOM 0 HA MET A 83 19.422 6.810 9.177 1.00 0.87 H new ATOM 0 HB2 MET A 83 18.733 6.099 7.049 1.00 1.08 H new ATOM 0 HB3 MET A 83 17.283 6.769 7.768 1.00 1.08 H new ATOM 0 HG2 MET A 83 17.086 7.847 5.775 1.00 1.20 H new ATOM 0 HG3 MET A 83 18.206 8.989 6.490 1.00 1.20 H new ATOM 0 HE1 MET A 83 19.639 9.117 3.035 1.00 2.95 H new ATOM 0 HE2 MET A 83 18.465 9.751 4.213 1.00 2.95 H new ATOM 0 HE3 MET A 83 20.206 9.797 4.579 1.00 2.95 H new ATOM 1285 N ALA A 87 21.504 1.019 7.492 1.00 1.10 N ATOM 1286 CA ALA A 87 20.451 0.896 6.496 1.00 0.88 C ATOM 1287 C ALA A 87 19.116 1.332 7.107 1.00 0.74 C ATOM 1288 O ALA A 87 18.111 0.648 6.942 1.00 0.75 O ATOM 1289 CB ALA A 87 20.432 -0.546 5.933 1.00 1.64 C ATOM 0 HA ALA A 87 20.639 1.557 5.650 1.00 0.88 H new ATOM 0 HB1 ALA A 87 19.642 -0.635 5.187 1.00 1.64 H new ATOM 0 HB2 ALA A 87 21.394 -0.769 5.471 1.00 1.64 H new ATOM 0 HB3 ALA A 87 20.247 -1.251 6.744 1.00 1.64 H new ATOM 1295 N CYS A 88 19.059 2.464 7.820 1.00 0.67 N ATOM 1296 CA CYS A 88 17.861 2.826 8.572 1.00 0.60 C ATOM 1297 C CYS A 88 16.684 3.028 7.616 1.00 0.54 C ATOM 1298 O CYS A 88 15.614 2.455 7.815 1.00 0.53 O ATOM 1299 CB CYS A 88 18.135 4.082 9.395 1.00 0.67 C ATOM 1300 SG CYS A 88 19.407 3.779 10.650 1.00 0.78 S ATOM 0 H CYS A 88 19.823 3.136 7.889 1.00 0.67 H new ATOM 0 HA CYS A 88 17.598 2.020 9.257 1.00 0.60 H new ATOM 0 HB2 CYS A 88 18.456 4.889 8.736 1.00 0.67 H new ATOM 0 HB3 CYS A 88 17.215 4.411 9.878 1.00 0.67 H new ATOM 0 HG CYS A 88 18.985 4.200 11.806 1.00 0.78 H new ATOM 1306 N ALA A 89 16.908 3.777 6.530 1.00 0.59 N ATOM 1307 CA ALA A 89 15.960 3.904 5.429 1.00 0.59 C ATOM 1308 C ALA A 89 15.573 2.520 4.907 1.00 0.57 C ATOM 1309 O ALA A 89 14.407 2.223 4.692 1.00 0.59 O ATOM 1310 CB ALA A 89 16.578 4.748 4.314 1.00 0.70 C ATOM 0 H ALA A 89 17.763 4.316 6.394 1.00 0.59 H new ATOM 0 HA ALA A 89 15.057 4.400 5.785 1.00 0.59 H new ATOM 0 HB1 ALA A 89 15.868 4.842 3.492 1.00 0.70 H new ATOM 0 HB2 ALA A 89 16.820 5.739 4.699 1.00 0.70 H new ATOM 0 HB3 ALA A 89 17.487 4.266 3.955 1.00 0.70 H new ATOM 1316 N ASN A 90 16.559 1.644 4.730 1.00 0.64 N ATOM 1317 CA ASN A 90 16.316 0.305 4.214 1.00 0.69 C ATOM 1318 C ASN A 90 15.424 -0.494 5.168 1.00 0.65 C ATOM 1319 O ASN A 90 14.606 -1.301 4.739 1.00 0.75 O ATOM 1320 CB ASN A 90 17.648 -0.409 3.959 1.00 0.92 C ATOM 1321 CG ASN A 90 17.684 -1.016 2.567 1.00 1.13 C ATOM 1322 OD1 ASN A 90 17.328 -2.179 2.385 1.00 2.55 O ATOM 1323 ND2 ASN A 90 18.113 -0.233 1.582 1.00 1.89 N ATOM 0 H ASN A 90 17.538 1.842 4.938 1.00 0.64 H new ATOM 0 HA ASN A 90 15.786 0.384 3.265 1.00 0.69 H new ATOM 0 HB2 ASN A 90 18.471 0.297 4.073 1.00 0.92 H new ATOM 0 HB3 ASN A 90 17.794 -1.191 4.704 1.00 0.92 H new ATOM 0 HD21 ASN A 90 18.157 -0.591 0.628 1.00 1.89 H new ATOM 0 HD22 ASN A 90 18.398 0.726 1.780 1.00 1.89 H new ATOM 1330 N ARG A 91 15.577 -0.282 6.476 1.00 0.64 N ATOM 1331 CA ARG A 91 14.701 -0.870 7.477 1.00 0.66 C ATOM 1332 C ARG A 91 13.293 -0.268 7.372 1.00 0.58 C ATOM 1333 O ARG A 91 12.316 -1.011 7.274 1.00 0.62 O ATOM 1334 CB ARG A 91 15.308 -0.723 8.885 1.00 0.72 C ATOM 1335 CG ARG A 91 16.197 -1.915 9.274 1.00 1.10 C ATOM 1336 CD ARG A 91 17.525 -1.957 8.505 1.00 2.93 C ATOM 1337 NE ARG A 91 18.283 -3.190 8.778 1.00 3.42 N ATOM 1338 CZ ARG A 91 18.079 -4.374 8.174 1.00 4.25 C ATOM 1339 NH1 ARG A 91 17.083 -4.506 7.292 1.00 5.09 N ATOM 1340 NH2 ARG A 91 18.868 -5.418 8.455 1.00 4.94 N ATOM 0 H ARG A 91 16.315 0.304 6.867 1.00 0.64 H new ATOM 0 HA ARG A 91 14.606 -1.939 7.288 1.00 0.66 H new ATOM 0 HB2 ARG A 91 15.896 0.194 8.929 1.00 0.72 H new ATOM 0 HB3 ARG A 91 14.504 -0.621 9.614 1.00 0.72 H new ATOM 0 HG2 ARG A 91 16.405 -1.871 10.343 1.00 1.10 H new ATOM 0 HG3 ARG A 91 15.651 -2.841 9.094 1.00 1.10 H new ATOM 0 HD2 ARG A 91 17.327 -1.883 7.436 1.00 2.93 H new ATOM 0 HD3 ARG A 91 18.129 -1.092 8.778 1.00 2.93 H new ATOM 0 HE ARG A 91 19.021 -3.142 9.481 1.00 3.42 H new ATOM 0 HH11 ARG A 91 16.481 -3.710 7.079 1.00 5.09 H new ATOM 0 HH12 ARG A 91 16.925 -5.402 6.832 1.00 5.09 H new ATOM 0 HH21 ARG A 91 19.627 -5.317 9.129 1.00 4.94 H new ATOM 0 HH22 ARG A 91 18.710 -6.315 7.995 1.00 4.94 H new ATOM 1354 N ILE A 92 13.168 1.066 7.376 1.00 0.52 N ATOM 1355 CA ILE A 92 11.848 1.687 7.278 1.00 0.50 C ATOM 1356 C ILE A 92 11.155 1.366 5.946 1.00 0.47 C ATOM 1357 O ILE A 92 9.931 1.301 5.906 1.00 0.47 O ATOM 1358 CB ILE A 92 11.837 3.184 7.632 1.00 0.62 C ATOM 1359 CG1 ILE A 92 12.749 4.061 6.790 1.00 1.11 C ATOM 1360 CG2 ILE A 92 12.148 3.388 9.119 1.00 1.92 C ATOM 1361 CD1 ILE A 92 12.188 5.478 6.672 1.00 1.36 C ATOM 0 H ILE A 92 13.948 1.720 7.445 1.00 0.52 H new ATOM 0 HA ILE A 92 11.242 1.224 8.056 1.00 0.50 H new ATOM 0 HB ILE A 92 10.824 3.513 7.399 1.00 0.62 H new ATOM 0 HG12 ILE A 92 13.742 4.095 7.238 1.00 1.11 H new ATOM 0 HG13 ILE A 92 12.862 3.627 5.797 1.00 1.11 H new ATOM 0 HG21 ILE A 92 12.136 4.453 9.350 1.00 1.92 H new ATOM 0 HG22 ILE A 92 11.397 2.877 9.721 1.00 1.92 H new ATOM 0 HG23 ILE A 92 13.133 2.979 9.344 1.00 1.92 H new ATOM 0 HD11 ILE A 92 12.859 6.086 6.065 1.00 1.36 H new ATOM 0 HD12 ILE A 92 11.205 5.442 6.202 1.00 1.36 H new ATOM 0 HD13 ILE A 92 12.099 5.918 7.665 1.00 1.36 H new ATOM 1373 N GLU A 93 11.917 1.105 4.882 1.00 0.49 N ATOM 1374 CA GLU A 93 11.426 0.712 3.576 1.00 0.51 C ATOM 1375 C GLU A 93 10.564 -0.533 3.738 1.00 0.48 C ATOM 1376 O GLU A 93 9.362 -0.484 3.487 1.00 0.50 O ATOM 1377 CB GLU A 93 12.627 0.448 2.656 1.00 0.61 C ATOM 1378 CG GLU A 93 12.214 0.056 1.238 1.00 0.70 C ATOM 1379 CD GLU A 93 13.393 -0.503 0.457 1.00 1.39 C ATOM 1380 OE1 GLU A 93 13.937 -1.531 0.923 1.00 2.16 O ATOM 1381 OE2 GLU A 93 13.739 0.093 -0.581 1.00 2.43 O ATOM 0 H GLU A 93 12.935 1.167 4.917 1.00 0.49 H new ATOM 0 HA GLU A 93 10.818 1.499 3.129 1.00 0.51 H new ATOM 0 HB2 GLU A 93 13.250 1.342 2.614 1.00 0.61 H new ATOM 0 HB3 GLU A 93 13.238 -0.346 3.084 1.00 0.61 H new ATOM 0 HG2 GLU A 93 11.417 -0.687 1.281 1.00 0.70 H new ATOM 0 HG3 GLU A 93 11.811 0.926 0.720 1.00 0.70 H new ATOM 1388 N LYS A 94 11.175 -1.639 4.184 1.00 0.49 N ATOM 1389 CA LYS A 94 10.488 -2.915 4.341 1.00 0.50 C ATOM 1390 C LYS A 94 9.256 -2.764 5.233 1.00 0.48 C ATOM 1391 O LYS A 94 8.264 -3.461 5.026 1.00 0.53 O ATOM 1392 CB LYS A 94 11.424 -3.998 4.909 1.00 0.55 C ATOM 1393 CG LYS A 94 12.293 -4.697 3.851 1.00 0.74 C ATOM 1394 CD LYS A 94 13.469 -3.835 3.381 1.00 1.49 C ATOM 1395 CE LYS A 94 14.330 -4.572 2.346 1.00 1.84 C ATOM 1396 NZ LYS A 94 15.269 -3.658 1.663 1.00 3.27 N ATOM 0 H LYS A 94 12.161 -1.667 4.445 1.00 0.49 H new ATOM 0 HA LYS A 94 10.167 -3.233 3.349 1.00 0.50 H new ATOM 0 HB2 LYS A 94 12.075 -3.544 5.656 1.00 0.55 H new ATOM 0 HB3 LYS A 94 10.823 -4.748 5.423 1.00 0.55 H new ATOM 0 HG2 LYS A 94 12.675 -5.631 4.262 1.00 0.74 H new ATOM 0 HG3 LYS A 94 11.673 -4.956 2.993 1.00 0.74 H new ATOM 0 HD2 LYS A 94 13.092 -2.908 2.948 1.00 1.49 H new ATOM 0 HD3 LYS A 94 14.084 -3.559 4.237 1.00 1.49 H new ATOM 0 HE2 LYS A 94 14.890 -5.367 2.839 1.00 1.84 H new ATOM 0 HE3 LYS A 94 13.684 -5.048 1.608 1.00 1.84 H new ATOM 0 HZ1 LYS A 94 15.809 -4.186 0.948 1.00 3.27 H new ATOM 0 HZ2 LYS A 94 14.736 -2.895 1.200 1.00 3.27 H new ATOM 0 HZ3 LYS A 94 15.924 -3.249 2.360 1.00 3.27 H new ATOM 1410 N ARG A 95 9.312 -1.868 6.223 1.00 0.46 N ATOM 1411 CA ARG A 95 8.149 -1.620 7.064 1.00 0.49 C ATOM 1412 C ARG A 95 7.059 -0.921 6.252 1.00 0.47 C ATOM 1413 O ARG A 95 6.011 -1.503 5.960 1.00 0.53 O ATOM 1414 CB ARG A 95 8.551 -0.784 8.282 1.00 0.52 C ATOM 1415 CG ARG A 95 9.316 -1.618 9.313 1.00 0.89 C ATOM 1416 CD ARG A 95 8.352 -2.362 10.250 1.00 0.96 C ATOM 1417 NE ARG A 95 9.079 -2.957 11.386 1.00 1.77 N ATOM 1418 CZ ARG A 95 8.602 -3.091 12.637 1.00 2.63 C ATOM 1419 NH1 ARG A 95 7.315 -2.838 12.901 1.00 3.21 N ATOM 1420 NH2 ARG A 95 9.422 -3.468 13.624 1.00 3.72 N ATOM 0 H ARG A 95 10.136 -1.314 6.455 1.00 0.46 H new ATOM 0 HA ARG A 95 7.752 -2.570 7.421 1.00 0.49 H new ATOM 0 HB2 ARG A 95 9.170 0.054 7.960 1.00 0.52 H new ATOM 0 HB3 ARG A 95 7.659 -0.362 8.745 1.00 0.52 H new ATOM 0 HG2 ARG A 95 9.957 -2.336 8.801 1.00 0.89 H new ATOM 0 HG3 ARG A 95 9.968 -0.969 9.898 1.00 0.89 H new ATOM 0 HD2 ARG A 95 7.593 -1.673 10.620 1.00 0.96 H new ATOM 0 HD3 ARG A 95 7.831 -3.143 9.697 1.00 0.96 H new ATOM 0 HE ARG A 95 10.024 -3.296 11.209 1.00 1.77 H new ATOM 0 HH11 ARG A 95 6.689 -2.542 12.152 1.00 3.21 H new ATOM 0 HH12 ARG A 95 6.959 -2.941 13.851 1.00 3.21 H new ATOM 0 HH21 ARG A 95 10.406 -3.653 13.427 1.00 3.72 H new ATOM 0 HH22 ARG A 95 9.064 -3.571 14.574 1.00 3.72 H new ATOM 1434 N LEU A 96 7.314 0.343 5.906 1.00 0.43 N ATOM 1435 CA LEU A 96 6.360 1.208 5.235 1.00 0.48 C ATOM 1436 C LEU A 96 5.769 0.531 4.001 1.00 0.47 C ATOM 1437 O LEU A 96 4.579 0.694 3.755 1.00 0.49 O ATOM 1438 CB LEU A 96 6.963 2.588 4.954 1.00 0.56 C ATOM 1439 CG LEU A 96 7.312 3.398 6.225 1.00 0.69 C ATOM 1440 CD1 LEU A 96 7.413 4.870 5.828 1.00 1.02 C ATOM 1441 CD2 LEU A 96 6.299 3.258 7.366 1.00 2.02 C ATOM 0 H LEU A 96 8.209 0.796 6.091 1.00 0.43 H new ATOM 0 HA LEU A 96 5.519 1.383 5.906 1.00 0.48 H new ATOM 0 HB2 LEU A 96 7.866 2.463 4.357 1.00 0.56 H new ATOM 0 HB3 LEU A 96 6.260 3.163 4.352 1.00 0.56 H new ATOM 0 HG LEU A 96 8.251 2.999 6.610 1.00 0.69 H new ATOM 0 HD11 LEU A 96 7.659 5.468 6.706 1.00 1.02 H new ATOM 0 HD12 LEU A 96 8.193 4.991 5.076 1.00 1.02 H new ATOM 0 HD13 LEU A 96 6.459 5.203 5.418 1.00 1.02 H new ATOM 0 HD21 LEU A 96 6.623 3.859 8.216 1.00 2.02 H new ATOM 0 HD22 LEU A 96 5.322 3.603 7.029 1.00 2.02 H new ATOM 0 HD23 LEU A 96 6.231 2.212 7.666 1.00 2.02 H new ATOM 1453 N ASN A 97 6.561 -0.287 3.295 1.00 0.50 N ATOM 1454 CA ASN A 97 6.145 -1.161 2.197 1.00 0.57 C ATOM 1455 C ASN A 97 4.705 -1.669 2.323 1.00 0.60 C ATOM 1456 O ASN A 97 3.973 -1.696 1.338 1.00 0.64 O ATOM 1457 CB ASN A 97 7.078 -2.381 2.124 1.00 0.69 C ATOM 1458 CG ASN A 97 7.167 -2.946 0.715 1.00 0.83 C ATOM 1459 OD1 ASN A 97 6.392 -3.817 0.332 1.00 1.31 O ATOM 1460 ND2 ASN A 97 8.145 -2.472 -0.054 1.00 0.95 N ATOM 0 H ASN A 97 7.560 -0.358 3.487 1.00 0.50 H new ATOM 0 HA ASN A 97 6.201 -0.553 1.294 1.00 0.57 H new ATOM 0 HB2 ASN A 97 8.074 -2.097 2.464 1.00 0.69 H new ATOM 0 HB3 ASN A 97 6.718 -3.154 2.803 1.00 0.69 H new ATOM 0 HD21 ASN A 97 8.271 -2.833 -0.999 1.00 0.95 H new ATOM 0 HD22 ASN A 97 8.768 -1.747 0.302 1.00 0.95 H new ATOM 1467 N LYS A 98 4.323 -2.110 3.529 1.00 0.61 N ATOM 1468 CA LYS A 98 3.020 -2.709 3.801 1.00 0.66 C ATOM 1469 C LYS A 98 2.675 -2.583 5.288 1.00 0.66 C ATOM 1470 O LYS A 98 2.360 -3.581 5.929 1.00 0.81 O ATOM 1471 CB LYS A 98 2.967 -4.164 3.277 1.00 0.81 C ATOM 1472 CG LYS A 98 4.171 -5.032 3.715 1.00 0.95 C ATOM 1473 CD LYS A 98 3.877 -6.109 4.777 1.00 2.51 C ATOM 1474 CE LYS A 98 3.228 -7.372 4.200 1.00 3.20 C ATOM 1475 NZ LYS A 98 3.007 -8.407 5.235 1.00 4.55 N ATOM 0 H LYS A 98 4.923 -2.057 4.352 1.00 0.61 H new ATOM 0 HA LYS A 98 2.248 -2.163 3.258 1.00 0.66 H new ATOM 0 HB2 LYS A 98 2.047 -4.633 3.627 1.00 0.81 H new ATOM 0 HB3 LYS A 98 2.921 -4.146 2.188 1.00 0.81 H new ATOM 0 HG2 LYS A 98 4.580 -5.523 2.832 1.00 0.95 H new ATOM 0 HG3 LYS A 98 4.948 -4.372 4.101 1.00 0.95 H new ATOM 0 HD2 LYS A 98 4.808 -6.382 5.274 1.00 2.51 H new ATOM 0 HD3 LYS A 98 3.221 -5.688 5.539 1.00 2.51 H new ATOM 0 HE2 LYS A 98 2.275 -7.111 3.739 1.00 3.20 H new ATOM 0 HE3 LYS A 98 3.863 -7.778 3.412 1.00 3.20 H new ATOM 0 HZ1 LYS A 98 2.860 -9.329 4.778 1.00 4.55 H new ATOM 0 HZ2 LYS A 98 3.838 -8.458 5.858 1.00 4.55 H new ATOM 0 HZ3 LYS A 98 2.167 -8.162 5.797 1.00 4.55 H new ATOM 1489 N ILE A 99 2.715 -1.369 5.852 1.00 0.63 N ATOM 1490 CA ILE A 99 2.293 -1.174 7.243 1.00 0.71 C ATOM 1491 C ILE A 99 0.855 -1.659 7.427 1.00 0.88 C ATOM 1492 O ILE A 99 0.583 -2.463 8.317 1.00 1.39 O ATOM 1493 CB ILE A 99 2.479 0.294 7.686 1.00 0.69 C ATOM 1494 CG1 ILE A 99 3.932 0.552 8.108 1.00 0.81 C ATOM 1495 CG2 ILE A 99 1.531 0.735 8.813 1.00 0.73 C ATOM 1496 CD1 ILE A 99 4.339 -0.032 9.467 1.00 1.69 C ATOM 0 H ILE A 99 3.029 -0.523 5.377 1.00 0.63 H new ATOM 0 HA ILE A 99 2.931 -1.774 7.892 1.00 0.71 H new ATOM 0 HB ILE A 99 2.225 0.894 6.812 1.00 0.69 H new ATOM 0 HG12 ILE A 99 4.592 0.142 7.344 1.00 0.81 H new ATOM 0 HG13 ILE A 99 4.100 1.629 8.130 1.00 0.81 H new ATOM 0 HG21 ILE A 99 1.726 1.777 9.065 1.00 0.73 H new ATOM 0 HG22 ILE A 99 0.498 0.629 8.482 1.00 0.73 H new ATOM 0 HG23 ILE A 99 1.696 0.112 9.692 1.00 0.73 H new ATOM 0 HD11 ILE A 99 5.383 0.208 9.668 1.00 1.69 H new ATOM 0 HD12 ILE A 99 3.712 0.395 10.249 1.00 1.69 H new ATOM 0 HD13 ILE A 99 4.212 -1.114 9.451 1.00 1.69 H new ATOM 1508 N GLU A 100 -0.047 -1.162 6.581 1.00 0.68 N ATOM 1509 CA GLU A 100 -1.447 -1.551 6.558 1.00 0.76 C ATOM 1510 C GLU A 100 -1.928 -1.302 5.120 1.00 0.75 C ATOM 1511 O GLU A 100 -1.481 -2.006 4.212 1.00 0.96 O ATOM 1512 CB GLU A 100 -2.196 -0.842 7.714 1.00 0.88 C ATOM 1513 CG GLU A 100 -3.225 -1.742 8.417 1.00 0.98 C ATOM 1514 CD GLU A 100 -4.513 -1.928 7.628 1.00 2.31 C ATOM 1515 OE1 GLU A 100 -4.404 -2.151 6.403 1.00 3.40 O ATOM 1516 OE2 GLU A 100 -5.581 -1.853 8.271 1.00 3.13 O ATOM 0 H GLU A 100 0.187 -0.461 5.878 1.00 0.68 H new ATOM 0 HA GLU A 100 -1.645 -2.603 6.764 1.00 0.76 H new ATOM 0 HB2 GLU A 100 -1.469 -0.492 8.447 1.00 0.88 H new ATOM 0 HB3 GLU A 100 -2.703 0.040 7.322 1.00 0.88 H new ATOM 0 HG2 GLU A 100 -2.776 -2.719 8.599 1.00 0.98 H new ATOM 0 HG3 GLU A 100 -3.464 -1.314 9.391 1.00 0.98 H new ATOM 1523 N GLY A 101 -2.697 -0.244 4.846 1.00 0.73 N ATOM 1524 CA GLY A 101 -3.185 0.050 3.508 1.00 0.73 C ATOM 1525 C GLY A 101 -2.139 0.792 2.683 1.00 0.73 C ATOM 1526 O GLY A 101 -2.430 1.848 2.122 1.00 0.80 O ATOM 0 H GLY A 101 -2.996 0.430 5.551 1.00 0.73 H new ATOM 0 HA2 GLY A 101 -3.455 -0.879 3.005 1.00 0.73 H new ATOM 0 HA3 GLY A 101 -4.092 0.651 3.574 1.00 0.73 H new ATOM 1530 N VAL A 102 -0.924 0.244 2.612 1.00 0.73 N ATOM 1531 CA VAL A 102 0.169 0.790 1.817 1.00 0.70 C ATOM 1532 C VAL A 102 0.340 -0.062 0.565 1.00 0.70 C ATOM 1533 O VAL A 102 0.477 -1.281 0.658 1.00 0.72 O ATOM 1534 CB VAL A 102 1.467 0.921 2.632 1.00 0.63 C ATOM 1535 CG1 VAL A 102 2.499 1.705 1.807 1.00 0.60 C ATOM 1536 CG2 VAL A 102 1.240 1.617 3.982 1.00 0.62 C ATOM 0 H VAL A 102 -0.672 -0.606 3.116 1.00 0.73 H new ATOM 0 HA VAL A 102 -0.078 1.807 1.513 1.00 0.70 H new ATOM 0 HB VAL A 102 1.833 -0.083 2.847 1.00 0.63 H new ATOM 0 HG11 VAL A 102 3.423 1.803 2.378 1.00 0.60 H new ATOM 0 HG12 VAL A 102 2.701 1.173 0.877 1.00 0.60 H new ATOM 0 HG13 VAL A 102 2.106 2.696 1.580 1.00 0.60 H new ATOM 0 HG21 VAL A 102 2.186 1.685 4.520 1.00 0.62 H new ATOM 0 HG22 VAL A 102 0.845 2.619 3.813 1.00 0.62 H new ATOM 0 HG23 VAL A 102 0.528 1.041 4.573 1.00 0.62 H new ATOM 1546 N ALA A 103 0.317 0.588 -0.602 1.00 0.71 N ATOM 1547 CA ALA A 103 0.618 -0.059 -1.863 1.00 0.72 C ATOM 1548 C ALA A 103 2.128 -0.143 -2.032 1.00 0.66 C ATOM 1549 O ALA A 103 2.637 -1.219 -2.318 1.00 0.69 O ATOM 1550 CB ALA A 103 -0.027 0.677 -3.037 1.00 0.79 C ATOM 0 H ALA A 103 0.088 1.578 -0.689 1.00 0.71 H new ATOM 0 HA ALA A 103 0.200 -1.066 -1.853 1.00 0.72 H new ATOM 0 HB1 ALA A 103 0.219 0.165 -3.967 1.00 0.79 H new ATOM 0 HB2 ALA A 103 -1.109 0.692 -2.907 1.00 0.79 H new ATOM 0 HB3 ALA A 103 0.348 1.700 -3.076 1.00 0.79 H new ATOM 1556 N ASN A 104 2.850 0.969 -1.858 1.00 0.61 N ATOM 1557 CA ASN A 104 4.310 0.970 -1.996 1.00 0.64 C ATOM 1558 C ASN A 104 4.905 2.034 -1.090 1.00 0.59 C ATOM 1559 O ASN A 104 4.195 2.914 -0.603 1.00 0.55 O ATOM 1560 CB ASN A 104 4.787 1.236 -3.437 1.00 0.70 C ATOM 1561 CG ASN A 104 4.188 0.301 -4.478 1.00 0.69 C ATOM 1562 OD1 ASN A 104 4.500 -0.886 -4.516 1.00 0.83 O ATOM 1563 ND2 ASN A 104 3.334 0.836 -5.338 1.00 0.64 N ATOM 0 H ASN A 104 2.449 1.877 -1.622 1.00 0.61 H new ATOM 0 HA ASN A 104 4.647 -0.028 -1.716 1.00 0.64 H new ATOM 0 HB2 ASN A 104 4.541 2.264 -3.705 1.00 0.70 H new ATOM 0 HB3 ASN A 104 5.873 1.149 -3.470 1.00 0.70 H new ATOM 0 HD21 ASN A 104 2.911 0.257 -6.064 1.00 0.64 H new ATOM 0 HD22 ASN A 104 3.099 1.827 -5.274 1.00 0.64 H new ATOM 1570 N ALA A 105 6.225 1.975 -0.907 1.00 0.58 N ATOM 1571 CA ALA A 105 6.955 2.986 -0.151 1.00 0.52 C ATOM 1572 C ALA A 105 8.471 2.942 -0.405 1.00 0.60 C ATOM 1573 O ALA A 105 9.227 2.592 0.500 1.00 0.66 O ATOM 1574 CB ALA A 105 6.653 2.844 1.348 1.00 0.54 C ATOM 0 H ALA A 105 6.813 1.228 -1.278 1.00 0.58 H new ATOM 0 HA ALA A 105 6.610 3.959 -0.501 1.00 0.52 H new ATOM 0 HB1 ALA A 105 7.203 3.604 1.904 1.00 0.54 H new ATOM 0 HB2 ALA A 105 5.584 2.973 1.518 1.00 0.54 H new ATOM 0 HB3 ALA A 105 6.957 1.854 1.688 1.00 0.54 H new ATOM 1580 N PRO A 106 8.947 3.260 -1.621 1.00 0.65 N ATOM 1581 CA PRO A 106 10.369 3.222 -1.926 1.00 0.75 C ATOM 1582 C PRO A 106 11.111 4.385 -1.251 1.00 0.66 C ATOM 1583 O PRO A 106 10.590 5.500 -1.165 1.00 0.62 O ATOM 1584 CB PRO A 106 10.459 3.276 -3.453 1.00 0.87 C ATOM 1585 CG PRO A 106 9.193 4.027 -3.862 1.00 0.79 C ATOM 1586 CD PRO A 106 8.170 3.620 -2.796 1.00 0.66 C ATOM 0 HA PRO A 106 10.848 2.321 -1.543 1.00 0.75 H new ATOM 0 HB2 PRO A 106 11.358 3.796 -3.783 1.00 0.87 H new ATOM 0 HB3 PRO A 106 10.491 2.277 -3.888 1.00 0.87 H new ATOM 0 HG2 PRO A 106 9.353 5.105 -3.873 1.00 0.79 H new ATOM 0 HG3 PRO A 106 8.864 3.743 -4.862 1.00 0.79 H new ATOM 0 HD2 PRO A 106 7.486 4.440 -2.577 1.00 0.66 H new ATOM 0 HD3 PRO A 106 7.563 2.781 -3.136 1.00 0.66 H new ATOM 1594 N VAL A 107 12.333 4.110 -0.780 1.00 0.66 N ATOM 1595 CA VAL A 107 13.201 5.071 -0.108 1.00 0.59 C ATOM 1596 C VAL A 107 14.323 5.531 -1.040 1.00 0.63 C ATOM 1597 O VAL A 107 14.723 4.798 -1.944 1.00 0.66 O ATOM 1598 CB VAL A 107 13.771 4.472 1.193 1.00 0.63 C ATOM 1599 CG1 VAL A 107 12.644 4.093 2.159 1.00 1.52 C ATOM 1600 CG2 VAL A 107 14.671 3.252 0.950 1.00 1.76 C ATOM 0 H VAL A 107 12.753 3.184 -0.861 1.00 0.66 H new ATOM 0 HA VAL A 107 12.606 5.945 0.157 1.00 0.59 H new ATOM 0 HB VAL A 107 14.390 5.252 1.636 1.00 0.63 H new ATOM 0 HG11 VAL A 107 13.071 3.673 3.069 1.00 1.52 H new ATOM 0 HG12 VAL A 107 12.063 4.981 2.407 1.00 1.52 H new ATOM 0 HG13 VAL A 107 11.994 3.355 1.689 1.00 1.52 H new ATOM 0 HG21 VAL A 107 15.041 2.877 1.904 1.00 1.76 H new ATOM 0 HG22 VAL A 107 14.098 2.471 0.450 1.00 1.76 H new ATOM 0 HG23 VAL A 107 15.514 3.541 0.323 1.00 1.76 H new ATOM 1610 N ASN A 108 14.859 6.730 -0.798 1.00 0.71 N ATOM 1611 CA ASN A 108 16.052 7.246 -1.444 1.00 0.89 C ATOM 1612 C ASN A 108 17.160 7.369 -0.406 1.00 0.98 C ATOM 1613 O ASN A 108 16.887 7.501 0.785 1.00 1.94 O ATOM 1614 CB ASN A 108 15.774 8.634 -2.023 1.00 0.87 C ATOM 1615 CG ASN A 108 14.619 8.628 -3.019 1.00 1.04 C ATOM 1616 OD1 ASN A 108 13.571 9.212 -2.766 1.00 1.32 O ATOM 1617 ND2 ASN A 108 14.794 7.966 -4.160 1.00 1.97 N ATOM 0 H ASN A 108 14.457 7.383 -0.125 1.00 0.71 H new ATOM 0 HA ASN A 108 16.348 6.568 -2.245 1.00 0.89 H new ATOM 0 HB2 ASN A 108 15.546 9.324 -1.211 1.00 0.87 H new ATOM 0 HB3 ASN A 108 16.673 9.006 -2.515 1.00 0.87 H new ATOM 0 HD21 ASN A 108 14.045 7.935 -4.852 1.00 1.97 H new ATOM 0 HD22 ASN A 108 15.677 7.489 -4.343 1.00 1.97 H new ATOM 1624 N PHE A 109 18.411 7.373 -0.875 1.00 0.93 N ATOM 1625 CA PHE A 109 19.595 7.578 -0.044 1.00 0.89 C ATOM 1626 C PHE A 109 20.401 8.804 -0.489 1.00 0.97 C ATOM 1627 O PHE A 109 21.476 9.057 0.044 1.00 1.41 O ATOM 1628 CB PHE A 109 20.457 6.309 -0.088 1.00 0.96 C ATOM 1629 CG PHE A 109 20.888 5.835 1.282 1.00 1.17 C ATOM 1630 CD1 PHE A 109 20.016 5.042 2.047 1.00 1.93 C ATOM 1631 CD2 PHE A 109 22.101 6.280 1.838 1.00 2.52 C ATOM 1632 CE1 PHE A 109 20.389 4.634 3.338 1.00 2.11 C ATOM 1633 CE2 PHE A 109 22.467 5.881 3.134 1.00 2.77 C ATOM 1634 CZ PHE A 109 21.621 5.040 3.878 1.00 1.84 C ATOM 0 H PHE A 109 18.630 7.231 -1.861 1.00 0.93 H new ATOM 0 HA PHE A 109 19.276 7.771 0.980 1.00 0.89 H new ATOM 0 HB2 PHE A 109 19.897 5.514 -0.581 1.00 0.96 H new ATOM 0 HB3 PHE A 109 21.342 6.499 -0.695 1.00 0.96 H new ATOM 0 HD1 PHE A 109 19.059 4.746 1.642 1.00 1.93 H new ATOM 0 HD2 PHE A 109 22.751 6.928 1.269 1.00 2.52 H new ATOM 0 HE1 PHE A 109 19.727 4.007 3.917 1.00 2.11 H new ATOM 0 HE2 PHE A 109 23.400 6.221 3.560 1.00 2.77 H new ATOM 0 HZ PHE A 109 21.917 4.707 4.862 1.00 1.84 H new ATOM 1644 N ALA A 110 19.899 9.535 -1.490 1.00 0.73 N ATOM 1645 CA ALA A 110 20.555 10.702 -2.071 1.00 0.84 C ATOM 1646 C ALA A 110 19.813 11.969 -1.654 1.00 0.87 C ATOM 1647 O ALA A 110 20.420 12.933 -1.206 1.00 1.04 O ATOM 1648 CB ALA A 110 20.579 10.561 -3.597 1.00 0.99 C ATOM 0 H ALA A 110 19.002 9.323 -1.927 1.00 0.73 H new ATOM 0 HA ALA A 110 21.581 10.771 -1.709 1.00 0.84 H new ATOM 0 HB1 ALA A 110 21.068 11.431 -4.035 1.00 0.99 H new ATOM 0 HB2 ALA A 110 21.128 9.660 -3.871 1.00 0.99 H new ATOM 0 HB3 ALA A 110 19.558 10.492 -3.972 1.00 0.99 H new ATOM 1654 N LEU A 111 18.488 11.956 -1.819 1.00 0.91 N ATOM 1655 CA LEU A 111 17.625 13.075 -1.461 1.00 1.07 C ATOM 1656 C LEU A 111 17.269 13.047 0.027 1.00 0.92 C ATOM 1657 O LEU A 111 16.780 14.044 0.548 1.00 0.99 O ATOM 1658 CB LEU A 111 16.316 13.015 -2.256 1.00 1.26 C ATOM 1659 CG LEU A 111 16.435 12.580 -3.725 1.00 1.34 C ATOM 1660 CD1 LEU A 111 15.055 12.668 -4.384 1.00 1.61 C ATOM 1661 CD2 LEU A 111 17.426 13.450 -4.507 1.00 1.45 C ATOM 0 H LEU A 111 17.983 11.160 -2.209 1.00 0.91 H new ATOM 0 HA LEU A 111 18.173 13.989 -1.691 1.00 1.07 H new ATOM 0 HB2 LEU A 111 15.638 12.328 -1.749 1.00 1.26 H new ATOM 0 HB3 LEU A 111 15.852 14.001 -2.227 1.00 1.26 H new ATOM 0 HG LEU A 111 16.809 11.556 -3.743 1.00 1.34 H new ATOM 0 HD11 LEU A 111 15.130 12.361 -5.427 1.00 1.61 H new ATOM 0 HD12 LEU A 111 14.360 12.011 -3.861 1.00 1.61 H new ATOM 0 HD13 LEU A 111 14.692 13.695 -4.333 1.00 1.61 H new ATOM 0 HD21 LEU A 111 17.477 13.105 -5.540 1.00 1.45 H new ATOM 0 HD22 LEU A 111 17.094 14.488 -4.487 1.00 1.45 H new ATOM 0 HD23 LEU A 111 18.413 13.376 -4.051 1.00 1.45 H new ATOM 1673 N GLU A 112 17.433 11.879 0.662 1.00 0.81 N ATOM 1674 CA GLU A 112 17.081 11.613 2.046 1.00 0.76 C ATOM 1675 C GLU A 112 15.558 11.600 2.232 1.00 0.59 C ATOM 1676 O GLU A 112 15.041 12.048 3.251 1.00 0.58 O ATOM 1677 CB GLU A 112 17.829 12.568 2.997 1.00 1.05 C ATOM 1678 CG GLU A 112 19.343 12.603 2.714 1.00 1.48 C ATOM 1679 CD GLU A 112 20.049 13.654 3.561 1.00 2.03 C ATOM 1680 OE1 GLU A 112 20.317 13.342 4.741 1.00 2.13 O ATOM 1681 OE2 GLU A 112 20.319 14.742 3.010 1.00 3.28 O ATOM 0 H GLU A 112 17.833 11.064 0.197 1.00 0.81 H new ATOM 0 HA GLU A 112 17.415 10.611 2.317 1.00 0.76 H new ATOM 0 HB2 GLU A 112 17.419 13.573 2.897 1.00 1.05 H new ATOM 0 HB3 GLU A 112 17.661 12.257 4.028 1.00 1.05 H new ATOM 0 HG2 GLU A 112 19.774 11.623 2.916 1.00 1.48 H new ATOM 0 HG3 GLU A 112 19.511 12.813 1.658 1.00 1.48 H new ATOM 1688 N THR A 113 14.839 11.051 1.245 1.00 0.54 N ATOM 1689 CA THR A 113 13.384 11.028 1.190 1.00 0.46 C ATOM 1690 C THR A 113 12.844 9.602 1.120 1.00 0.38 C ATOM 1691 O THR A 113 13.543 8.687 0.686 1.00 0.44 O ATOM 1692 CB THR A 113 12.921 11.831 -0.032 1.00 0.64 C ATOM 1693 OG1 THR A 113 13.593 11.384 -1.191 1.00 0.80 O ATOM 1694 CG2 THR A 113 13.259 13.312 0.135 1.00 0.77 C ATOM 0 H THR A 113 15.274 10.598 0.441 1.00 0.54 H new ATOM 0 HA THR A 113 12.994 11.476 2.104 1.00 0.46 H new ATOM 0 HB THR A 113 11.844 11.692 -0.124 1.00 0.64 H new ATOM 0 HG1 THR A 113 13.264 10.495 -1.438 1.00 0.80 H new ATOM 0 HG21 THR A 113 12.922 13.863 -0.743 1.00 0.77 H new ATOM 0 HG22 THR A 113 12.759 13.701 1.022 1.00 0.77 H new ATOM 0 HG23 THR A 113 14.337 13.429 0.245 1.00 0.77 H new ATOM 1702 N VAL A 114 11.580 9.431 1.518 1.00 0.36 N ATOM 1703 CA VAL A 114 10.784 8.236 1.274 1.00 0.40 C ATOM 1704 C VAL A 114 9.498 8.642 0.563 1.00 0.40 C ATOM 1705 O VAL A 114 8.793 9.540 1.022 1.00 0.36 O ATOM 1706 CB VAL A 114 10.522 7.448 2.575 1.00 0.45 C ATOM 1707 CG1 VAL A 114 9.911 8.285 3.704 1.00 0.44 C ATOM 1708 CG2 VAL A 114 9.622 6.228 2.336 1.00 0.54 C ATOM 0 H VAL A 114 11.071 10.147 2.036 1.00 0.36 H new ATOM 0 HA VAL A 114 11.337 7.553 0.629 1.00 0.40 H new ATOM 0 HB VAL A 114 11.514 7.129 2.894 1.00 0.45 H new ATOM 0 HG11 VAL A 114 9.759 7.656 4.581 1.00 0.44 H new ATOM 0 HG12 VAL A 114 10.586 9.103 3.956 1.00 0.44 H new ATOM 0 HG13 VAL A 114 8.953 8.691 3.378 1.00 0.44 H new ATOM 0 HG21 VAL A 114 9.464 5.703 3.278 1.00 0.54 H new ATOM 0 HG22 VAL A 114 8.662 6.557 1.938 1.00 0.54 H new ATOM 0 HG23 VAL A 114 10.100 5.557 1.622 1.00 0.54 H new ATOM 1718 N THR A 115 9.186 7.966 -0.542 1.00 0.51 N ATOM 1719 CA THR A 115 7.881 8.073 -1.167 1.00 0.54 C ATOM 1720 C THR A 115 6.970 7.112 -0.411 1.00 0.52 C ATOM 1721 O THR A 115 7.425 6.052 0.010 1.00 0.86 O ATOM 1722 CB THR A 115 7.994 7.695 -2.648 1.00 0.73 C ATOM 1723 OG1 THR A 115 8.942 8.545 -3.260 1.00 0.74 O ATOM 1724 CG2 THR A 115 6.657 7.796 -3.389 1.00 0.88 C ATOM 0 H THR A 115 9.829 7.335 -1.021 1.00 0.51 H new ATOM 0 HA THR A 115 7.481 9.086 -1.125 1.00 0.54 H new ATOM 0 HB THR A 115 8.308 6.653 -2.704 1.00 0.73 H new ATOM 0 HG1 THR A 115 9.026 8.313 -4.208 1.00 0.74 H new ATOM 0 HG21 THR A 115 6.798 7.517 -4.433 1.00 0.88 H new ATOM 0 HG22 THR A 115 5.934 7.123 -2.928 1.00 0.88 H new ATOM 0 HG23 THR A 115 6.287 8.820 -3.334 1.00 0.88 H new ATOM 1732 N VAL A 116 5.703 7.475 -0.227 1.00 0.42 N ATOM 1733 CA VAL A 116 4.706 6.640 0.414 1.00 0.37 C ATOM 1734 C VAL A 116 3.460 6.642 -0.476 1.00 0.41 C ATOM 1735 O VAL A 116 2.818 7.677 -0.657 1.00 0.43 O ATOM 1736 CB VAL A 116 4.486 7.112 1.865 1.00 0.39 C ATOM 1737 CG1 VAL A 116 3.820 8.488 1.986 1.00 0.50 C ATOM 1738 CG2 VAL A 116 3.709 6.057 2.658 1.00 0.56 C ATOM 0 H VAL A 116 5.339 8.379 -0.528 1.00 0.42 H new ATOM 0 HA VAL A 116 5.022 5.601 0.511 1.00 0.37 H new ATOM 0 HB VAL A 116 5.481 7.234 2.294 1.00 0.39 H new ATOM 0 HG11 VAL A 116 3.702 8.744 3.039 1.00 0.50 H new ATOM 0 HG12 VAL A 116 4.443 9.238 1.498 1.00 0.50 H new ATOM 0 HG13 VAL A 116 2.841 8.462 1.507 1.00 0.50 H new ATOM 0 HG21 VAL A 116 3.562 6.405 3.680 1.00 0.56 H new ATOM 0 HG22 VAL A 116 2.740 5.890 2.189 1.00 0.56 H new ATOM 0 HG23 VAL A 116 4.272 5.124 2.670 1.00 0.56 H new ATOM 1748 N GLU A 117 3.150 5.488 -1.070 1.00 0.49 N ATOM 1749 CA GLU A 117 1.939 5.258 -1.837 1.00 0.60 C ATOM 1750 C GLU A 117 1.016 4.441 -0.944 1.00 0.64 C ATOM 1751 O GLU A 117 1.117 3.212 -0.916 1.00 0.62 O ATOM 1752 CB GLU A 117 2.259 4.434 -3.095 1.00 0.73 C ATOM 1753 CG GLU A 117 2.500 5.284 -4.337 1.00 0.75 C ATOM 1754 CD GLU A 117 2.588 4.395 -5.569 1.00 1.43 C ATOM 1755 OE1 GLU A 117 3.470 3.510 -5.561 1.00 2.70 O ATOM 1756 OE2 GLU A 117 1.742 4.579 -6.468 1.00 2.21 O ATOM 0 H GLU A 117 3.756 4.669 -1.025 1.00 0.49 H new ATOM 0 HA GLU A 117 1.489 6.202 -2.144 1.00 0.60 H new ATOM 0 HB2 GLU A 117 3.143 3.825 -2.905 1.00 0.73 H new ATOM 0 HB3 GLU A 117 1.435 3.748 -3.289 1.00 0.73 H new ATOM 0 HG2 GLU A 117 1.692 6.005 -4.456 1.00 0.75 H new ATOM 0 HG3 GLU A 117 3.422 5.854 -4.224 1.00 0.75 H new ATOM 1763 N TYR A 118 0.130 5.106 -0.203 1.00 0.72 N ATOM 1764 CA TYR A 118 -0.756 4.444 0.740 1.00 0.75 C ATOM 1765 C TYR A 118 -2.113 5.114 0.730 1.00 0.78 C ATOM 1766 O TYR A 118 -2.212 6.273 0.336 1.00 0.92 O ATOM 1767 CB TYR A 118 -0.161 4.495 2.148 1.00 0.71 C ATOM 1768 CG TYR A 118 -0.325 5.815 2.881 1.00 0.67 C ATOM 1769 CD1 TYR A 118 0.324 6.979 2.431 1.00 1.78 C ATOM 1770 CD2 TYR A 118 -1.176 5.884 3.997 1.00 2.15 C ATOM 1771 CE1 TYR A 118 0.178 8.187 3.136 1.00 1.80 C ATOM 1772 CE2 TYR A 118 -1.307 7.085 4.709 1.00 2.12 C ATOM 1773 CZ TYR A 118 -0.628 8.237 4.284 1.00 0.65 C ATOM 1774 OH TYR A 118 -0.749 9.399 4.988 1.00 0.68 O ATOM 0 H TYR A 118 0.010 6.118 -0.243 1.00 0.72 H new ATOM 0 HA TYR A 118 -0.870 3.401 0.443 1.00 0.75 H new ATOM 0 HB2 TYR A 118 -0.620 3.708 2.746 1.00 0.71 H new ATOM 0 HB3 TYR A 118 0.903 4.266 2.082 1.00 0.71 H new ATOM 0 HD1 TYR A 118 0.936 6.945 1.542 1.00 1.78 H new ATOM 0 HD2 TYR A 118 -1.730 5.010 4.307 1.00 2.15 H new ATOM 0 HE1 TYR A 118 0.686 9.076 2.794 1.00 1.80 H new ATOM 0 HE2 TYR A 118 -1.933 7.123 5.588 1.00 2.12 H new ATOM 0 HH TYR A 118 -1.653 9.759 4.872 1.00 0.68 H new ATOM 1784 N ASN A 119 -3.153 4.383 1.134 1.00 0.71 N ATOM 1785 CA ASN A 119 -4.494 4.932 1.138 1.00 0.67 C ATOM 1786 C ASN A 119 -4.584 5.934 2.292 1.00 0.64 C ATOM 1787 O ASN A 119 -4.567 5.506 3.448 1.00 0.72 O ATOM 1788 CB ASN A 119 -5.545 3.818 1.275 1.00 0.79 C ATOM 1789 CG ASN A 119 -6.946 4.422 1.325 1.00 1.32 C ATOM 1790 OD1 ASN A 119 -7.110 5.622 1.145 1.00 1.74 O ATOM 1791 ND2 ASN A 119 -7.983 3.658 1.625 1.00 2.39 N ATOM 0 H ASN A 119 -3.086 3.418 1.459 1.00 0.71 H new ATOM 0 HA ASN A 119 -4.700 5.436 0.194 1.00 0.67 H new ATOM 0 HB2 ASN A 119 -5.467 3.129 0.434 1.00 0.79 H new ATOM 0 HB3 ASN A 119 -5.357 3.240 2.180 1.00 0.79 H new ATOM 0 HD21 ASN A 119 -8.913 4.069 1.705 1.00 2.39 H new ATOM 0 HD22 ASN A 119 -7.853 2.658 1.776 1.00 2.39 H new ATOM 1798 N PRO A 120 -4.728 7.245 2.023 1.00 0.59 N ATOM 1799 CA PRO A 120 -4.808 8.243 3.076 1.00 0.59 C ATOM 1800 C PRO A 120 -6.186 8.245 3.751 1.00 0.63 C ATOM 1801 O PRO A 120 -6.494 9.181 4.487 1.00 0.72 O ATOM 1802 CB PRO A 120 -4.531 9.570 2.364 1.00 0.59 C ATOM 1803 CG PRO A 120 -5.197 9.354 1.006 1.00 0.60 C ATOM 1804 CD PRO A 120 -4.884 7.885 0.718 1.00 0.59 C ATOM 0 HA PRO A 120 -4.098 8.049 3.880 1.00 0.59 H new ATOM 0 HB2 PRO A 120 -4.962 10.416 2.899 1.00 0.59 H new ATOM 0 HB3 PRO A 120 -3.463 9.765 2.267 1.00 0.59 H new ATOM 0 HG2 PRO A 120 -6.270 9.541 1.045 1.00 0.60 H new ATOM 0 HG3 PRO A 120 -4.786 10.014 0.242 1.00 0.60 H new ATOM 0 HD2 PRO A 120 -5.688 7.419 0.148 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -3.975 7.788 0.124 1.00 0.59 H new ATOM 1812 N LYS A 121 -7.042 7.250 3.475 1.00 0.64 N ATOM 1813 CA LYS A 121 -8.303 7.079 4.182 1.00 0.70 C ATOM 1814 C LYS A 121 -8.135 6.028 5.283 1.00 0.70 C ATOM 1815 O LYS A 121 -8.411 6.319 6.445 1.00 0.91 O ATOM 1816 CB LYS A 121 -9.430 6.716 3.210 1.00 0.77 C ATOM 1817 CG LYS A 121 -9.505 7.583 1.945 1.00 1.68 C ATOM 1818 CD LYS A 121 -9.558 9.090 2.219 1.00 2.97 C ATOM 1819 CE LYS A 121 -9.719 9.836 0.885 1.00 4.33 C ATOM 1820 NZ LYS A 121 -9.315 11.255 0.979 1.00 5.67 N ATOM 0 H LYS A 121 -6.873 6.547 2.756 1.00 0.64 H new ATOM 0 HA LYS A 121 -8.584 8.022 4.651 1.00 0.70 H new ATOM 0 HB2 LYS A 121 -9.309 5.675 2.911 1.00 0.77 H new ATOM 0 HB3 LYS A 121 -10.381 6.788 3.738 1.00 0.77 H new ATOM 0 HG2 LYS A 121 -8.638 7.369 1.319 1.00 1.68 H new ATOM 0 HG3 LYS A 121 -10.389 7.297 1.374 1.00 1.68 H new ATOM 0 HD2 LYS A 121 -10.390 9.323 2.883 1.00 2.97 H new ATOM 0 HD3 LYS A 121 -8.647 9.413 2.724 1.00 2.97 H new ATOM 0 HE2 LYS A 121 -9.120 9.341 0.121 1.00 4.33 H new ATOM 0 HE3 LYS A 121 -10.759 9.778 0.563 1.00 4.33 H new ATOM 0 HZ1 LYS A 121 -9.442 11.714 0.055 1.00 5.67 H new ATOM 0 HZ2 LYS A 121 -9.903 11.737 1.689 1.00 5.67 H new ATOM 0 HZ3 LYS A 121 -8.315 11.313 1.260 1.00 5.67 H new ATOM 1834 N GLU A 122 -7.673 4.821 4.927 1.00 0.62 N ATOM 1835 CA GLU A 122 -7.435 3.756 5.898 1.00 0.67 C ATOM 1836 C GLU A 122 -6.478 4.226 6.996 1.00 0.65 C ATOM 1837 O GLU A 122 -6.737 4.016 8.179 1.00 0.72 O ATOM 1838 CB GLU A 122 -6.870 2.489 5.223 1.00 0.79 C ATOM 1839 CG GLU A 122 -7.917 1.398 4.966 1.00 0.75 C ATOM 1840 CD GLU A 122 -8.961 1.805 3.945 1.00 1.56 C ATOM 1841 OE1 GLU A 122 -9.931 2.503 4.312 1.00 2.56 O ATOM 1842 OE2 GLU A 122 -8.742 1.452 2.769 1.00 2.60 O ATOM 0 H GLU A 122 -7.457 4.562 3.965 1.00 0.62 H new ATOM 0 HA GLU A 122 -8.397 3.506 6.345 1.00 0.67 H new ATOM 0 HB2 GLU A 122 -6.412 2.769 4.274 1.00 0.79 H new ATOM 0 HB3 GLU A 122 -6.079 2.078 5.850 1.00 0.79 H new ATOM 0 HG2 GLU A 122 -7.414 0.494 4.622 1.00 0.75 H new ATOM 0 HG3 GLU A 122 -8.413 1.150 5.905 1.00 0.75 H new ATOM 1849 N ALA A 123 -5.354 4.828 6.594 1.00 0.59 N ATOM 1850 CA ALA A 123 -4.323 5.297 7.509 1.00 0.57 C ATOM 1851 C ALA A 123 -4.052 6.772 7.224 1.00 0.50 C ATOM 1852 O ALA A 123 -4.631 7.345 6.303 1.00 0.51 O ATOM 1853 CB ALA A 123 -3.070 4.431 7.337 1.00 0.58 C ATOM 0 H ALA A 123 -5.138 5.002 5.613 1.00 0.59 H new ATOM 0 HA ALA A 123 -4.644 5.208 8.547 1.00 0.57 H new ATOM 0 HB1 ALA A 123 -2.293 4.776 8.019 1.00 0.58 H new ATOM 0 HB2 ALA A 123 -3.313 3.392 7.559 1.00 0.58 H new ATOM 0 HB3 ALA A 123 -2.712 4.509 6.310 1.00 0.58 H new ATOM 1859 N SER A 124 -3.163 7.397 7.999 1.00 0.50 N ATOM 1860 CA SER A 124 -2.743 8.770 7.768 1.00 0.44 C ATOM 1861 C SER A 124 -1.318 8.957 8.281 1.00 0.42 C ATOM 1862 O SER A 124 -0.799 8.106 9.003 1.00 0.47 O ATOM 1863 CB SER A 124 -3.715 9.742 8.452 1.00 0.50 C ATOM 1864 OG SER A 124 -3.662 9.616 9.863 1.00 1.92 O ATOM 0 H SER A 124 -2.716 6.959 8.805 1.00 0.50 H new ATOM 0 HA SER A 124 -2.757 8.984 6.699 1.00 0.44 H new ATOM 0 HB2 SER A 124 -3.470 10.765 8.167 1.00 0.50 H new ATOM 0 HB3 SER A 124 -4.730 9.549 8.105 1.00 0.50 H new ATOM 0 HG SER A 124 -4.290 10.248 10.272 1.00 1.92 H new ATOM 1870 N VAL A 125 -0.710 10.099 7.951 1.00 0.42 N ATOM 1871 CA VAL A 125 0.564 10.554 8.482 1.00 0.41 C ATOM 1872 C VAL A 125 0.760 10.180 9.953 1.00 0.38 C ATOM 1873 O VAL A 125 1.836 9.740 10.335 1.00 0.40 O ATOM 1874 CB VAL A 125 0.711 12.076 8.303 1.00 0.48 C ATOM 1875 CG1 VAL A 125 2.151 12.464 8.635 1.00 1.54 C ATOM 1876 CG2 VAL A 125 0.345 12.517 6.880 1.00 1.35 C ATOM 0 H VAL A 125 -1.113 10.753 7.280 1.00 0.42 H new ATOM 0 HA VAL A 125 1.340 10.042 7.912 1.00 0.41 H new ATOM 0 HB VAL A 125 0.021 12.583 8.977 1.00 0.48 H new ATOM 0 HG11 VAL A 125 2.275 13.540 8.514 1.00 1.54 H new ATOM 0 HG12 VAL A 125 2.374 12.187 9.665 1.00 1.54 H new ATOM 0 HG13 VAL A 125 2.833 11.942 7.963 1.00 1.54 H new ATOM 0 HG21 VAL A 125 0.461 13.597 6.793 1.00 1.35 H new ATOM 0 HG22 VAL A 125 1.003 12.022 6.165 1.00 1.35 H new ATOM 0 HG23 VAL A 125 -0.689 12.245 6.670 1.00 1.35 H new ATOM 1886 N SER A 126 -0.243 10.385 10.804 1.00 0.41 N ATOM 1887 CA SER A 126 -0.130 10.081 12.222 1.00 0.47 C ATOM 1888 C SER A 126 0.214 8.609 12.478 1.00 0.47 C ATOM 1889 O SER A 126 1.086 8.325 13.300 1.00 0.50 O ATOM 1890 CB SER A 126 -1.412 10.535 12.915 1.00 0.63 C ATOM 1891 OG SER A 126 -1.584 11.910 12.613 1.00 0.79 O ATOM 0 H SER A 126 -1.149 10.764 10.529 1.00 0.41 H new ATOM 0 HA SER A 126 0.709 10.630 12.650 1.00 0.47 H new ATOM 0 HB2 SER A 126 -2.265 9.954 12.565 1.00 0.63 H new ATOM 0 HB3 SER A 126 -1.342 10.383 13.992 1.00 0.63 H new ATOM 0 HG SER A 126 -2.402 12.239 13.041 1.00 0.79 H new ATOM 1897 N ASP A 127 -0.421 7.689 11.748 1.00 0.50 N ATOM 1898 CA ASP A 127 -0.114 6.268 11.842 1.00 0.58 C ATOM 1899 C ASP A 127 1.351 6.041 11.461 1.00 0.56 C ATOM 1900 O ASP A 127 2.115 5.413 12.191 1.00 0.63 O ATOM 1901 CB ASP A 127 -1.052 5.477 10.924 1.00 0.64 C ATOM 1902 CG ASP A 127 -0.667 4.007 10.914 1.00 0.96 C ATOM 1903 OD1 ASP A 127 -1.017 3.326 11.899 1.00 1.98 O ATOM 1904 OD2 ASP A 127 -0.019 3.607 9.924 1.00 1.67 O ATOM 0 H ASP A 127 -1.158 7.911 11.079 1.00 0.50 H new ATOM 0 HA ASP A 127 -0.264 5.920 12.864 1.00 0.58 H new ATOM 0 HB2 ASP A 127 -2.082 5.588 11.263 1.00 0.64 H new ATOM 0 HB3 ASP A 127 -1.005 5.879 9.912 1.00 0.64 H new ATOM 1909 N LEU A 128 1.759 6.634 10.338 1.00 0.52 N ATOM 1910 CA LEU A 128 3.122 6.534 9.833 1.00 0.55 C ATOM 1911 C LEU A 128 4.122 7.085 10.845 1.00 0.51 C ATOM 1912 O LEU A 128 5.179 6.495 11.057 1.00 0.49 O ATOM 1913 CB LEU A 128 3.266 7.258 8.494 1.00 0.56 C ATOM 1914 CG LEU A 128 2.496 6.554 7.370 1.00 0.68 C ATOM 1915 CD1 LEU A 128 2.518 7.455 6.140 1.00 0.77 C ATOM 1916 CD2 LEU A 128 3.126 5.208 6.993 1.00 0.80 C ATOM 0 H LEU A 128 1.146 7.200 9.752 1.00 0.52 H new ATOM 0 HA LEU A 128 3.339 5.477 9.676 1.00 0.55 H new ATOM 0 HB2 LEU A 128 2.904 8.281 8.595 1.00 0.56 H new ATOM 0 HB3 LEU A 128 4.321 7.318 8.227 1.00 0.56 H new ATOM 0 HG LEU A 128 1.481 6.366 7.720 1.00 0.68 H new ATOM 0 HD11 LEU A 128 1.975 6.974 5.327 1.00 0.77 H new ATOM 0 HD12 LEU A 128 2.045 8.408 6.378 1.00 0.77 H new ATOM 0 HD13 LEU A 128 3.550 7.629 5.835 1.00 0.77 H new ATOM 0 HD21 LEU A 128 2.547 4.746 6.193 1.00 0.80 H new ATOM 0 HD22 LEU A 128 4.150 5.368 6.654 1.00 0.80 H new ATOM 0 HD23 LEU A 128 3.130 4.552 7.863 1.00 0.80 H new ATOM 1928 N LYS A 129 3.804 8.220 11.467 1.00 0.51 N ATOM 1929 CA LYS A 129 4.644 8.803 12.494 1.00 0.48 C ATOM 1930 C LYS A 129 4.753 7.840 13.682 1.00 0.56 C ATOM 1931 O LYS A 129 5.853 7.630 14.182 1.00 0.73 O ATOM 1932 CB LYS A 129 4.192 10.232 12.855 1.00 0.51 C ATOM 1933 CG LYS A 129 4.494 11.189 11.678 1.00 0.55 C ATOM 1934 CD LYS A 129 4.678 12.676 12.037 1.00 0.59 C ATOM 1935 CE LYS A 129 3.417 13.540 12.181 1.00 2.08 C ATOM 1936 NZ LYS A 129 2.388 12.904 13.026 1.00 3.17 N ATOM 0 H LYS A 129 2.958 8.754 11.269 1.00 0.51 H new ATOM 0 HA LYS A 129 5.657 8.934 12.114 1.00 0.48 H new ATOM 0 HB2 LYS A 129 3.125 10.241 13.078 1.00 0.51 H new ATOM 0 HB3 LYS A 129 4.708 10.571 13.753 1.00 0.51 H new ATOM 0 HG2 LYS A 129 5.399 10.843 11.179 1.00 0.55 H new ATOM 0 HG3 LYS A 129 3.682 11.109 10.955 1.00 0.55 H new ATOM 0 HD2 LYS A 129 5.228 12.728 12.976 1.00 0.59 H new ATOM 0 HD3 LYS A 129 5.309 13.129 11.272 1.00 0.59 H new ATOM 0 HE2 LYS A 129 3.689 14.505 12.610 1.00 2.08 H new ATOM 0 HE3 LYS A 129 3.000 13.736 11.193 1.00 2.08 H new ATOM 0 HZ1 LYS A 129 1.808 13.639 13.479 1.00 3.17 H new ATOM 0 HZ2 LYS A 129 1.782 12.298 12.437 1.00 3.17 H new ATOM 0 HZ3 LYS A 129 2.848 12.327 13.758 1.00 3.17 H new ATOM 1950 N GLU A 130 3.661 7.195 14.101 1.00 0.52 N ATOM 1951 CA GLU A 130 3.754 6.199 15.162 1.00 0.56 C ATOM 1952 C GLU A 130 4.640 5.016 14.730 1.00 0.53 C ATOM 1953 O GLU A 130 5.517 4.561 15.467 1.00 0.57 O ATOM 1954 CB GLU A 130 2.334 5.773 15.556 1.00 0.64 C ATOM 1955 CG GLU A 130 2.206 5.528 17.060 1.00 1.14 C ATOM 1956 CD GLU A 130 2.856 4.230 17.507 1.00 1.95 C ATOM 1957 OE1 GLU A 130 2.462 3.160 16.992 1.00 2.40 O ATOM 1958 OE2 GLU A 130 3.702 4.250 18.429 1.00 3.22 O ATOM 0 H GLU A 130 2.723 7.342 13.729 1.00 0.52 H new ATOM 0 HA GLU A 130 4.239 6.624 16.041 1.00 0.56 H new ATOM 0 HB2 GLU A 130 1.627 6.545 15.253 1.00 0.64 H new ATOM 0 HB3 GLU A 130 2.065 4.865 15.017 1.00 0.64 H new ATOM 0 HG2 GLU A 130 2.661 6.360 17.598 1.00 1.14 H new ATOM 0 HG3 GLU A 130 1.150 5.512 17.331 1.00 1.14 H new ATOM 1965 N ALA A 131 4.439 4.532 13.502 1.00 0.51 N ATOM 1966 CA ALA A 131 5.196 3.418 12.957 1.00 0.51 C ATOM 1967 C ALA A 131 6.691 3.741 12.941 1.00 0.45 C ATOM 1968 O ALA A 131 7.508 2.992 13.473 1.00 0.50 O ATOM 1969 CB ALA A 131 4.676 3.076 11.557 1.00 0.54 C ATOM 0 H ALA A 131 3.742 4.908 12.860 1.00 0.51 H new ATOM 0 HA ALA A 131 5.060 2.543 13.593 1.00 0.51 H new ATOM 0 HB1 ALA A 131 5.246 2.240 11.151 1.00 0.54 H new ATOM 0 HB2 ALA A 131 3.623 2.802 11.617 1.00 0.54 H new ATOM 0 HB3 ALA A 131 4.789 3.942 10.905 1.00 0.54 H new ATOM 1975 N VAL A 132 7.075 4.859 12.326 1.00 0.40 N ATOM 1976 CA VAL A 132 8.465 5.242 12.223 1.00 0.39 C ATOM 1977 C VAL A 132 9.039 5.553 13.610 1.00 0.42 C ATOM 1978 O VAL A 132 10.222 5.305 13.844 1.00 0.45 O ATOM 1979 CB VAL A 132 8.619 6.384 11.210 1.00 0.42 C ATOM 1980 CG1 VAL A 132 8.378 7.746 11.862 1.00 1.72 C ATOM 1981 CG2 VAL A 132 10.010 6.306 10.575 1.00 1.41 C ATOM 0 H VAL A 132 6.428 5.516 11.890 1.00 0.40 H new ATOM 0 HA VAL A 132 9.057 4.412 11.839 1.00 0.39 H new ATOM 0 HB VAL A 132 7.865 6.273 10.431 1.00 0.42 H new ATOM 0 HG11 VAL A 132 8.495 8.532 11.116 1.00 1.72 H new ATOM 0 HG12 VAL A 132 7.368 7.780 12.270 1.00 1.72 H new ATOM 0 HG13 VAL A 132 9.099 7.898 12.665 1.00 1.72 H new ATOM 0 HG21 VAL A 132 10.127 7.115 9.854 1.00 1.41 H new ATOM 0 HG22 VAL A 132 10.770 6.399 11.351 1.00 1.41 H new ATOM 0 HG23 VAL A 132 10.125 5.348 10.068 1.00 1.41 H new ATOM 1991 N ASP A 133 8.209 6.054 14.536 1.00 0.46 N ATOM 1992 CA ASP A 133 8.644 6.261 15.908 1.00 0.54 C ATOM 1993 C ASP A 133 9.119 4.939 16.494 1.00 0.58 C ATOM 1994 O ASP A 133 10.251 4.821 16.951 1.00 0.65 O ATOM 1995 CB ASP A 133 7.539 6.851 16.784 1.00 0.66 C ATOM 1996 CG ASP A 133 8.108 7.293 18.123 1.00 1.98 C ATOM 1997 OD1 ASP A 133 8.206 6.422 19.013 1.00 3.63 O ATOM 1998 OD2 ASP A 133 8.444 8.493 18.227 1.00 2.65 O ATOM 0 H ASP A 133 7.241 6.319 14.353 1.00 0.46 H new ATOM 0 HA ASP A 133 9.462 6.981 15.891 1.00 0.54 H new ATOM 0 HB2 ASP A 133 7.079 7.700 16.278 1.00 0.66 H new ATOM 0 HB3 ASP A 133 6.755 6.110 16.941 1.00 0.66 H new ATOM 2003 N LYS A 134 8.272 3.913 16.380 1.00 0.62 N ATOM 2004 CA LYS A 134 8.621 2.557 16.773 1.00 0.68 C ATOM 2005 C LYS A 134 9.918 2.064 16.106 1.00 0.63 C ATOM 2006 O LYS A 134 10.673 1.319 16.727 1.00 0.76 O ATOM 2007 CB LYS A 134 7.436 1.625 16.501 1.00 0.74 C ATOM 2008 CG LYS A 134 6.416 1.678 17.645 1.00 1.09 C ATOM 2009 CD LYS A 134 5.227 0.762 17.323 1.00 1.12 C ATOM 2010 CE LYS A 134 4.328 0.550 18.548 1.00 1.76 C ATOM 2011 NZ LYS A 134 3.534 1.750 18.866 1.00 2.39 N ATOM 0 H LYS A 134 7.325 4.005 16.012 1.00 0.62 H new ATOM 0 HA LYS A 134 8.829 2.552 17.843 1.00 0.68 H new ATOM 0 HB2 LYS A 134 6.953 1.909 15.566 1.00 0.74 H new ATOM 0 HB3 LYS A 134 7.794 0.603 16.377 1.00 0.74 H new ATOM 0 HG2 LYS A 134 6.885 1.366 18.578 1.00 1.09 H new ATOM 0 HG3 LYS A 134 6.070 2.702 17.789 1.00 1.09 H new ATOM 0 HD2 LYS A 134 4.642 1.196 16.513 1.00 1.12 H new ATOM 0 HD3 LYS A 134 5.595 -0.201 16.970 1.00 1.12 H new ATOM 0 HE2 LYS A 134 3.658 -0.290 18.364 1.00 1.76 H new ATOM 0 HE3 LYS A 134 4.944 0.285 19.408 1.00 1.76 H new ATOM 0 HZ1 LYS A 134 3.127 1.655 19.818 1.00 2.39 H new ATOM 0 HZ2 LYS A 134 4.146 2.590 18.833 1.00 2.39 H new ATOM 0 HZ3 LYS A 134 2.767 1.853 18.171 1.00 2.39 H new ATOM 2025 N LEU A 135 10.190 2.456 14.856 1.00 0.53 N ATOM 2026 CA LEU A 135 11.467 2.149 14.201 1.00 0.51 C ATOM 2027 C LEU A 135 12.619 3.023 14.718 1.00 0.59 C ATOM 2028 O LEU A 135 13.776 2.611 14.633 1.00 0.71 O ATOM 2029 CB LEU A 135 11.336 2.258 12.674 1.00 0.45 C ATOM 2030 CG LEU A 135 10.869 0.967 11.981 1.00 0.51 C ATOM 2031 CD1 LEU A 135 11.986 -0.085 11.933 1.00 0.52 C ATOM 2032 CD2 LEU A 135 9.602 0.397 12.617 1.00 0.88 C ATOM 0 H LEU A 135 9.541 2.988 14.276 1.00 0.53 H new ATOM 0 HA LEU A 135 11.716 1.119 14.457 1.00 0.51 H new ATOM 0 HB2 LEU A 135 10.633 3.057 12.438 1.00 0.45 H new ATOM 0 HB3 LEU A 135 12.301 2.550 12.259 1.00 0.45 H new ATOM 0 HG LEU A 135 10.621 1.236 10.954 1.00 0.51 H new ATOM 0 HD11 LEU A 135 11.619 -0.983 11.436 1.00 0.52 H new ATOM 0 HD12 LEU A 135 12.837 0.313 11.380 1.00 0.52 H new ATOM 0 HD13 LEU A 135 12.296 -0.333 12.948 1.00 0.52 H new ATOM 0 HD21 LEU A 135 9.311 -0.514 12.094 1.00 0.88 H new ATOM 0 HD22 LEU A 135 9.792 0.168 13.666 1.00 0.88 H new ATOM 0 HD23 LEU A 135 8.798 1.129 12.546 1.00 0.88 H new ATOM 2044 N GLY A 136 12.321 4.213 15.244 1.00 0.60 N ATOM 2045 CA GLY A 136 13.273 5.081 15.919 1.00 0.69 C ATOM 2046 C GLY A 136 13.877 6.123 14.980 1.00 0.71 C ATOM 2047 O GLY A 136 15.065 6.422 15.085 1.00 0.82 O ATOM 0 H GLY A 136 11.380 4.606 15.208 1.00 0.60 H new ATOM 0 HA2 GLY A 136 12.776 5.586 16.747 1.00 0.69 H new ATOM 0 HA3 GLY A 136 14.072 4.476 16.348 1.00 0.69 H new ATOM 2051 N TYR A 137 13.065 6.703 14.090 1.00 0.67 N ATOM 2052 CA TYR A 137 13.455 7.832 13.242 1.00 0.71 C ATOM 2053 C TYR A 137 12.276 8.803 13.192 1.00 0.73 C ATOM 2054 O TYR A 137 11.295 8.585 13.899 1.00 0.78 O ATOM 2055 CB TYR A 137 13.848 7.343 11.839 1.00 0.66 C ATOM 2056 CG TYR A 137 14.744 6.119 11.843 1.00 0.66 C ATOM 2057 CD1 TYR A 137 16.092 6.238 12.227 1.00 2.07 C ATOM 2058 CD2 TYR A 137 14.174 4.843 11.683 1.00 1.77 C ATOM 2059 CE1 TYR A 137 16.845 5.085 12.510 1.00 2.17 C ATOM 2060 CE2 TYR A 137 14.948 3.693 11.902 1.00 1.71 C ATOM 2061 CZ TYR A 137 16.261 3.816 12.382 1.00 0.83 C ATOM 2062 OH TYR A 137 17.001 2.695 12.616 1.00 0.99 O ATOM 0 H TYR A 137 12.104 6.396 13.937 1.00 0.67 H new ATOM 0 HA TYR A 137 14.329 8.339 13.652 1.00 0.71 H new ATOM 0 HB2 TYR A 137 12.942 7.116 11.277 1.00 0.66 H new ATOM 0 HB3 TYR A 137 14.356 8.151 11.312 1.00 0.66 H new ATOM 0 HD1 TYR A 137 16.548 7.214 12.304 1.00 2.07 H new ATOM 0 HD2 TYR A 137 13.139 4.748 11.391 1.00 1.77 H new ATOM 0 HE1 TYR A 137 17.874 5.176 12.826 1.00 2.17 H new ATOM 0 HE2 TYR A 137 14.534 2.716 11.702 1.00 1.71 H new ATOM 0 HH TYR A 137 17.828 2.733 12.091 1.00 0.99 H new ATOM 2072 N LYS A 138 12.332 9.854 12.364 1.00 0.76 N ATOM 2073 CA LYS A 138 11.165 10.693 12.137 1.00 0.85 C ATOM 2074 C LYS A 138 11.127 11.089 10.664 1.00 0.78 C ATOM 2075 O LYS A 138 12.170 11.224 10.019 1.00 0.69 O ATOM 2076 CB LYS A 138 11.157 11.905 13.079 1.00 1.06 C ATOM 2077 CG LYS A 138 12.514 12.612 13.093 1.00 0.94 C ATOM 2078 CD LYS A 138 13.386 12.257 14.306 1.00 1.67 C ATOM 2079 CE LYS A 138 13.330 13.396 15.332 1.00 2.44 C ATOM 2080 NZ LYS A 138 14.080 13.067 16.561 1.00 3.42 N ATOM 0 H LYS A 138 13.166 10.135 11.849 1.00 0.76 H new ATOM 0 HA LYS A 138 10.256 10.137 12.367 1.00 0.85 H new ATOM 0 HB2 LYS A 138 10.383 12.606 12.765 1.00 1.06 H new ATOM 0 HB3 LYS A 138 10.904 11.581 14.088 1.00 1.06 H new ATOM 0 HG2 LYS A 138 13.055 12.358 12.182 1.00 0.94 H new ATOM 0 HG3 LYS A 138 12.352 13.690 13.077 1.00 0.94 H new ATOM 0 HD2 LYS A 138 13.036 11.329 14.759 1.00 1.67 H new ATOM 0 HD3 LYS A 138 14.416 12.089 13.990 1.00 1.67 H new ATOM 0 HE2 LYS A 138 13.739 14.304 14.889 1.00 2.44 H new ATOM 0 HE3 LYS A 138 12.291 13.605 15.586 1.00 2.44 H new ATOM 0 HZ1 LYS A 138 14.018 13.862 17.229 1.00 3.42 H new ATOM 0 HZ2 LYS A 138 13.674 12.215 16.998 1.00 3.42 H new ATOM 0 HZ3 LYS A 138 15.077 12.892 16.323 1.00 3.42 H new ATOM 2094 N LEU A 139 9.905 11.244 10.152 1.00 0.88 N ATOM 2095 CA LEU A 139 9.624 11.643 8.786 1.00 0.92 C ATOM 2096 C LEU A 139 9.115 13.075 8.801 1.00 0.92 C ATOM 2097 O LEU A 139 8.443 13.484 9.751 1.00 0.99 O ATOM 2098 CB LEU A 139 8.567 10.731 8.168 1.00 1.15 C ATOM 2099 CG LEU A 139 8.961 9.253 8.205 1.00 0.51 C ATOM 2100 CD1 LEU A 139 7.832 8.439 7.585 1.00 1.27 C ATOM 2101 CD2 LEU A 139 10.265 8.954 7.465 1.00 1.40 C ATOM 0 H LEU A 139 9.060 11.088 10.702 1.00 0.88 H new ATOM 0 HA LEU A 139 10.533 11.567 8.190 1.00 0.92 H new ATOM 0 HB2 LEU A 139 7.624 10.864 8.699 1.00 1.15 H new ATOM 0 HB3 LEU A 139 8.396 11.030 7.134 1.00 1.15 H new ATOM 0 HG LEU A 139 9.127 8.984 9.248 1.00 0.51 H new ATOM 0 HD11 LEU A 139 8.094 7.381 7.602 1.00 1.27 H new ATOM 0 HD12 LEU A 139 6.916 8.595 8.154 1.00 1.27 H new ATOM 0 HD13 LEU A 139 7.677 8.758 6.554 1.00 1.27 H new ATOM 0 HD21 LEU A 139 10.485 7.888 7.531 1.00 1.40 H new ATOM 0 HD22 LEU A 139 10.163 9.239 6.418 1.00 1.40 H new ATOM 0 HD23 LEU A 139 11.078 9.521 7.918 1.00 1.40 H new ATOM 2113 N LYS A 140 9.404 13.814 7.736 1.00 0.90 N ATOM 2114 CA LYS A 140 8.915 15.167 7.511 1.00 0.87 C ATOM 2115 C LYS A 140 8.158 15.207 6.191 1.00 0.85 C ATOM 2116 O LYS A 140 8.301 14.304 5.377 1.00 0.96 O ATOM 2117 CB LYS A 140 10.095 16.150 7.526 1.00 0.89 C ATOM 2118 CG LYS A 140 10.267 16.760 8.921 1.00 1.25 C ATOM 2119 CD LYS A 140 9.283 17.919 9.167 1.00 2.10 C ATOM 2120 CE LYS A 140 9.740 19.240 8.527 1.00 3.02 C ATOM 2121 NZ LYS A 140 10.950 19.779 9.182 1.00 2.42 N ATOM 0 H LYS A 140 10.004 13.477 6.983 1.00 0.90 H new ATOM 0 HA LYS A 140 8.230 15.464 8.305 1.00 0.87 H new ATOM 0 HB2 LYS A 140 11.009 15.634 7.233 1.00 0.89 H new ATOM 0 HB3 LYS A 140 9.927 16.941 6.795 1.00 0.89 H new ATOM 0 HG2 LYS A 140 10.115 15.988 9.676 1.00 1.25 H new ATOM 0 HG3 LYS A 140 11.289 17.121 9.036 1.00 1.25 H new ATOM 0 HD2 LYS A 140 8.305 17.648 8.770 1.00 2.10 H new ATOM 0 HD3 LYS A 140 9.162 18.064 10.240 1.00 2.10 H new ATOM 0 HE2 LYS A 140 9.941 19.080 7.468 1.00 3.02 H new ATOM 0 HE3 LYS A 140 8.935 19.972 8.592 1.00 3.02 H new ATOM 0 HZ1 LYS A 140 11.081 20.773 8.906 1.00 2.42 H new ATOM 0 HZ2 LYS A 140 10.842 19.718 10.215 1.00 2.42 H new ATOM 0 HZ3 LYS A 140 11.780 19.226 8.887 1.00 2.42 H new ATOM 2135 N LEU A 141 7.323 16.226 5.999 1.00 0.77 N ATOM 2136 CA LEU A 141 6.427 16.332 4.859 1.00 0.75 C ATOM 2137 C LEU A 141 6.986 17.295 3.814 1.00 0.95 C ATOM 2138 O LEU A 141 7.104 18.487 4.082 1.00 1.46 O ATOM 2139 CB LEU A 141 5.074 16.832 5.370 1.00 0.71 C ATOM 2140 CG LEU A 141 4.453 15.820 6.344 1.00 0.82 C ATOM 2141 CD1 LEU A 141 4.563 16.241 7.815 1.00 1.02 C ATOM 2142 CD2 LEU A 141 2.998 15.572 5.954 1.00 1.76 C ATOM 0 H LEU A 141 7.252 17.012 6.645 1.00 0.77 H new ATOM 0 HA LEU A 141 6.319 15.358 4.381 1.00 0.75 H new ATOM 0 HB2 LEU A 141 5.201 17.793 5.868 1.00 0.71 H new ATOM 0 HB3 LEU A 141 4.400 16.995 4.529 1.00 0.71 H new ATOM 0 HG LEU A 141 5.025 14.896 6.261 1.00 0.82 H new ATOM 0 HD11 LEU A 141 4.104 15.480 8.446 1.00 1.02 H new ATOM 0 HD12 LEU A 141 5.613 16.351 8.084 1.00 1.02 H new ATOM 0 HD13 LEU A 141 4.050 17.191 7.961 1.00 1.02 H new ATOM 0 HD21 LEU A 141 2.554 14.854 6.643 1.00 1.76 H new ATOM 0 HD22 LEU A 141 2.444 16.510 6.000 1.00 1.76 H new ATOM 0 HD23 LEU A 141 2.956 15.175 4.940 1.00 1.76 H new ATOM 2154 N LYS A 142 7.268 16.830 2.594 1.00 0.69 N ATOM 2155 CA LYS A 142 7.778 17.729 1.572 1.00 0.87 C ATOM 2156 C LYS A 142 6.609 18.498 0.974 1.00 1.26 C ATOM 2157 O LYS A 142 5.920 18.028 0.072 1.00 1.45 O ATOM 2158 CB LYS A 142 8.543 16.971 0.489 1.00 0.71 C ATOM 2159 CG LYS A 142 9.821 16.349 1.062 1.00 0.82 C ATOM 2160 CD LYS A 142 10.954 16.325 0.030 1.00 1.15 C ATOM 2161 CE LYS A 142 11.740 17.645 0.045 1.00 2.08 C ATOM 2162 NZ LYS A 142 12.816 17.656 -0.965 1.00 2.92 N ATOM 0 H LYS A 142 7.154 15.860 2.300 1.00 0.69 H new ATOM 0 HA LYS A 142 8.483 18.424 2.027 1.00 0.87 H new ATOM 0 HB2 LYS A 142 7.910 16.190 0.069 1.00 0.71 H new ATOM 0 HB3 LYS A 142 8.797 17.649 -0.326 1.00 0.71 H new ATOM 0 HG2 LYS A 142 10.139 16.914 1.938 1.00 0.82 H new ATOM 0 HG3 LYS A 142 9.612 15.333 1.397 1.00 0.82 H new ATOM 0 HD2 LYS A 142 11.627 15.494 0.243 1.00 1.15 H new ATOM 0 HD3 LYS A 142 10.542 16.154 -0.964 1.00 1.15 H new ATOM 0 HE2 LYS A 142 11.059 18.475 -0.141 1.00 2.08 H new ATOM 0 HE3 LYS A 142 12.169 17.801 1.035 1.00 2.08 H new ATOM 0 HZ1 LYS A 142 13.322 18.563 -0.923 1.00 2.92 H new ATOM 0 HZ2 LYS A 142 13.480 16.879 -0.773 1.00 2.92 H new ATOM 0 HZ3 LYS A 142 12.404 17.533 -1.912 1.00 2.92 H new