USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 963 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 19 ASN : amide:sc= -2.63! C(o=-3.1!,f=-3.2!) USER MOD Set 1.2: A 77 MET CE :methyl 152:sc= -0.44 (180deg=-1.99!) USER MOD Set 2.1: A 46 THR OG1 : rot 119:sc= 1.04 USER MOD Set 2.2: A 72 HIS : no HE2:sc= 0.928 K(o=2,f=-4!) USER MOD Set 3.1: A 44 SER OG : rot 180:sc= 0.943 USER MOD Set 3.2: A 74 LYS NZ :NH3+ -125:sc= 1.11 (180deg=0) USER MOD Set 4.1: A 33 ASN : amide:sc= -0.0622 X(o=-0.023,f=0.14) USER MOD Set 4.2: A 39 THR OG1 : rot -114:sc= 0.0395 USER MOD Set 5.1: A 35 MET CE :methyl -116:sc= -2.84! (180deg=-0.511) USER MOD Set 5.2: A 86 ASN : amide:sc= -0.387 K(o=-3.2,f=-9.5!) USER MOD Set 6.1: A 18 HIS : no HE2:sc= -1.59! C(o=-0.3!,f=-11!) USER MOD Set 6.2: A 81 SER OG : rot -18:sc= 1.29 USER MOD Single : A 23 TYR OH : rot -152:sc= 0.782 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-1.8,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.0365 K(o=0.037,f=-3.6!) USER MOD Single : A 60 TYR OH : rot -118:sc= 1.29 USER MOD Single : A 62 CYS SG : rot 155:sc= -0.122 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0825) USER MOD Single : A 80 THR OG1 : rot -81:sc= 1.11 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.15 F(o=-1.1,f=-0.15) USER MOD Single : A 95 TYR OH : rot 114:sc= 0.13 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0821 X(o=-0.082,f=-0.39) USER MOD Single : A 108 SER OG : rot -44:sc= 0.445 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -164:sc= -1.41 (180deg=-2.11) USER MOD Single : A 114 LYS NZ :NH3+ -169:sc= -0.0163 (180deg=-0.155) USER MOD Single : A 115 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 116 TYR OH : rot 0:sc= 0 USER MOD Single : A 117 MET CE :methyl -127:sc= -0.984 (180deg=-4.41!) USER MOD Single : A 120 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.59) USER MOD Single : A 121 LYS NZ :NH3+ 174:sc=-3.69e-05 (180deg=-0.0511) USER MOD Single : A 126 MET CE :methyl -127:sc= 0 (180deg=-0.402) USER MOD Single : A 140 LYS NZ :NH3+ -138:sc= -0.919 (180deg=-3.02!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -171:sc= 1.86 (180deg=1.46) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0577) USER MOD Single : A 149 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.05) USER MOD Single : A 151 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 153 CYS SG : rot 59:sc= 1.21 USER MOD Single : A 154 LYS NZ :NH3+ 169:sc= -0.026 (180deg=-0.171) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 17 -24.396 -11.658 -10.910 1.00 43.45 N ATOM 94 CA LEU A 17 -23.600 -11.011 -9.965 1.00 14.25 C ATOM 95 C LEU A 17 -22.730 -10.006 -10.606 1.00 23.12 C ATOM 96 O LEU A 17 -22.415 -10.093 -11.788 1.00 12.21 O ATOM 97 CB LEU A 17 -22.807 -11.970 -9.125 1.00 11.41 C ATOM 98 CG LEU A 17 -23.607 -13.035 -8.372 1.00 74.01 C ATOM 99 CD1 LEU A 17 -24.785 -12.440 -7.601 1.00 41.03 C ATOM 100 CD2 LEU A 17 -24.026 -14.176 -9.271 1.00 22.54 C ATOM 0 HA LEU A 17 -24.274 -10.491 -9.284 1.00 14.25 H new ATOM 0 HB2 LEU A 17 -22.088 -12.475 -9.770 1.00 11.41 H new ATOM 0 HB3 LEU A 17 -22.234 -11.395 -8.398 1.00 11.41 H new ATOM 0 HG LEU A 17 -22.934 -13.458 -7.626 1.00 74.01 H new ATOM 0 HD11 LEU A 17 -25.321 -13.236 -7.084 1.00 41.03 H new ATOM 0 HD12 LEU A 17 -24.416 -11.718 -6.872 1.00 41.03 H new ATOM 0 HD13 LEU A 17 -25.460 -11.941 -8.296 1.00 41.03 H new ATOM 0 HD21 LEU A 17 -24.591 -14.907 -8.692 1.00 22.54 H new ATOM 0 HD22 LEU A 17 -24.649 -13.793 -10.079 1.00 22.54 H new ATOM 0 HD23 LEU A 17 -23.140 -14.652 -9.691 1.00 22.54 H new ATOM 112 N HIS A 18 -22.382 -9.044 -9.853 1.00 4.25 N ATOM 113 CA HIS A 18 -21.623 -7.945 -10.321 1.00 32.31 C ATOM 114 C HIS A 18 -20.390 -7.816 -9.508 1.00 22.13 C ATOM 115 O HIS A 18 -20.308 -8.344 -8.390 1.00 33.43 O ATOM 116 CB HIS A 18 -22.430 -6.657 -10.202 1.00 73.34 C ATOM 117 CG HIS A 18 -23.706 -6.668 -10.969 1.00 52.45 C ATOM 118 ND1 HIS A 18 -23.870 -6.020 -12.159 1.00 50.34 N ATOM 119 CD2 HIS A 18 -24.892 -7.242 -10.690 1.00 12.41 C ATOM 120 CE1 HIS A 18 -25.099 -6.181 -12.584 1.00 71.32 C ATOM 121 NE2 HIS A 18 -25.743 -6.923 -11.709 1.00 52.24 N ATOM 0 H HIS A 18 -22.621 -8.991 -8.863 1.00 4.25 H new ATOM 0 HA HIS A 18 -21.367 -8.115 -11.367 1.00 32.31 H new ATOM 0 HB2 HIS A 18 -22.652 -6.475 -9.150 1.00 73.34 H new ATOM 0 HB3 HIS A 18 -21.818 -5.824 -10.547 1.00 73.34 H new ATOM 0 HD1 HIS A 18 -23.146 -5.491 -12.644 1.00 50.34 H new ATOM 0 HD2 HIS A 18 -25.126 -7.842 -9.823 1.00 12.41 H new ATOM 0 HE1 HIS A 18 -25.512 -5.775 -13.495 1.00 71.32 H new ATOM 130 N ASN A 19 -19.446 -7.148 -10.058 1.00 12.44 N ATOM 131 CA ASN A 19 -18.236 -6.836 -9.386 1.00 11.41 C ATOM 132 C ASN A 19 -17.983 -5.335 -9.422 1.00 4.45 C ATOM 133 O ASN A 19 -18.035 -4.690 -10.482 1.00 23.43 O ATOM 134 CB ASN A 19 -17.047 -7.687 -9.878 1.00 13.34 C ATOM 135 CG ASN A 19 -16.891 -7.760 -11.383 1.00 10.23 C ATOM 136 OD1 ASN A 19 -17.281 -6.864 -12.114 1.00 55.34 O ATOM 137 ND2 ASN A 19 -16.314 -8.841 -11.852 1.00 23.43 N ATOM 0 H ASN A 19 -19.492 -6.793 -11.013 1.00 12.44 H new ATOM 0 HA ASN A 19 -18.344 -7.111 -8.337 1.00 11.41 H new ATOM 0 HB2 ASN A 19 -16.129 -7.282 -9.452 1.00 13.34 H new ATOM 0 HB3 ASN A 19 -17.159 -8.699 -9.490 1.00 13.34 H new ATOM 0 HD21 ASN A 19 -16.179 -8.952 -12.857 1.00 23.43 H new ATOM 0 HD22 ASN A 19 -16.000 -9.570 -11.212 1.00 23.43 H new ATOM 144 N VAL A 20 -17.779 -4.774 -8.264 1.00 11.51 N ATOM 145 CA VAL A 20 -17.617 -3.341 -8.109 1.00 22.33 C ATOM 146 C VAL A 20 -16.343 -3.059 -7.338 1.00 12.31 C ATOM 147 O VAL A 20 -16.041 -3.751 -6.377 1.00 44.43 O ATOM 148 CB VAL A 20 -18.836 -2.730 -7.326 1.00 51.44 C ATOM 149 CG1 VAL A 20 -18.709 -1.217 -7.159 1.00 72.44 C ATOM 150 CG2 VAL A 20 -20.155 -3.078 -8.008 1.00 64.34 C ATOM 0 H VAL A 20 -17.719 -5.295 -7.389 1.00 11.51 H new ATOM 0 HA VAL A 20 -17.566 -2.887 -9.098 1.00 22.33 H new ATOM 0 HB VAL A 20 -18.828 -3.175 -6.331 1.00 51.44 H new ATOM 0 HG11 VAL A 20 -19.573 -0.837 -6.613 1.00 72.44 H new ATOM 0 HG12 VAL A 20 -17.799 -0.987 -6.604 1.00 72.44 H new ATOM 0 HG13 VAL A 20 -18.665 -0.745 -8.141 1.00 72.44 H new ATOM 0 HG21 VAL A 20 -20.981 -2.643 -7.446 1.00 64.34 H new ATOM 0 HG22 VAL A 20 -20.157 -2.679 -9.022 1.00 64.34 H new ATOM 0 HG23 VAL A 20 -20.271 -4.161 -8.044 1.00 64.34 H new ATOM 160 N PHE A 21 -15.606 -2.063 -7.751 1.00 22.32 N ATOM 161 CA PHE A 21 -14.402 -1.685 -7.052 1.00 61.22 C ATOM 162 C PHE A 21 -14.776 -0.605 -6.079 1.00 41.14 C ATOM 163 O PHE A 21 -15.303 0.446 -6.471 1.00 3.33 O ATOM 164 CB PHE A 21 -13.343 -1.177 -8.056 1.00 23.11 C ATOM 165 CG PHE A 21 -12.019 -0.733 -7.465 1.00 40.01 C ATOM 166 CD1 PHE A 21 -11.104 -1.661 -6.997 1.00 20.23 C ATOM 167 CD2 PHE A 21 -11.679 0.613 -7.410 1.00 54.24 C ATOM 168 CE1 PHE A 21 -9.893 -1.262 -6.486 1.00 13.21 C ATOM 169 CE2 PHE A 21 -10.467 1.015 -6.895 1.00 13.32 C ATOM 170 CZ PHE A 21 -9.572 0.076 -6.435 1.00 73.22 C ATOM 0 H PHE A 21 -15.817 -1.495 -8.571 1.00 22.32 H new ATOM 0 HA PHE A 21 -13.971 -2.536 -6.526 1.00 61.22 H new ATOM 0 HB2 PHE A 21 -13.147 -1.970 -8.778 1.00 23.11 H new ATOM 0 HB3 PHE A 21 -13.769 -0.340 -8.609 1.00 23.11 H new ATOM 0 HD1 PHE A 21 -11.346 -2.713 -7.034 1.00 20.23 H new ATOM 0 HD2 PHE A 21 -12.375 1.354 -7.776 1.00 54.24 H new ATOM 0 HE1 PHE A 21 -9.192 -1.999 -6.124 1.00 13.21 H new ATOM 0 HE2 PHE A 21 -10.219 2.065 -6.852 1.00 13.32 H new ATOM 0 HZ PHE A 21 -8.619 0.388 -6.034 1.00 73.22 H new ATOM 180 N VAL A 22 -14.515 -0.854 -4.834 1.00 24.53 N ATOM 181 CA VAL A 22 -14.872 0.058 -3.787 1.00 51.33 C ATOM 182 C VAL A 22 -13.665 0.823 -3.306 1.00 3.13 C ATOM 183 O VAL A 22 -12.530 0.355 -3.427 1.00 3.33 O ATOM 184 CB VAL A 22 -15.619 -0.639 -2.624 1.00 32.21 C ATOM 185 CG1 VAL A 22 -16.987 -1.108 -3.101 1.00 45.44 C ATOM 186 CG2 VAL A 22 -14.819 -1.825 -2.109 1.00 61.43 C ATOM 0 H VAL A 22 -14.046 -1.700 -4.511 1.00 24.53 H new ATOM 0 HA VAL A 22 -15.575 0.776 -4.209 1.00 51.33 H new ATOM 0 HB VAL A 22 -15.743 0.076 -1.810 1.00 32.21 H new ATOM 0 HG11 VAL A 22 -17.510 -1.598 -2.280 1.00 45.44 H new ATOM 0 HG12 VAL A 22 -17.568 -0.250 -3.441 1.00 45.44 H new ATOM 0 HG13 VAL A 22 -16.864 -1.812 -3.924 1.00 45.44 H new ATOM 0 HG21 VAL A 22 -15.360 -2.302 -1.292 1.00 61.43 H new ATOM 0 HG22 VAL A 22 -14.673 -2.543 -2.916 1.00 61.43 H new ATOM 0 HG23 VAL A 22 -13.849 -1.481 -1.750 1.00 61.43 H new ATOM 196 N TYR A 23 -13.906 1.981 -2.765 1.00 34.13 N ATOM 197 CA TYR A 23 -12.838 2.901 -2.452 1.00 72.14 C ATOM 198 C TYR A 23 -13.038 3.614 -1.121 1.00 30.12 C ATOM 199 O TYR A 23 -12.069 3.974 -0.462 1.00 1.34 O ATOM 200 CB TYR A 23 -12.741 3.939 -3.587 1.00 42.44 C ATOM 201 CG TYR A 23 -14.050 4.691 -3.825 1.00 21.43 C ATOM 202 CD1 TYR A 23 -15.109 4.079 -4.491 1.00 2.55 C ATOM 203 CD2 TYR A 23 -14.237 5.981 -3.352 1.00 40.25 C ATOM 204 CE1 TYR A 23 -16.296 4.724 -4.680 1.00 41.41 C ATOM 205 CE2 TYR A 23 -15.438 6.636 -3.532 1.00 64.33 C ATOM 206 CZ TYR A 23 -16.462 6.000 -4.198 1.00 71.54 C ATOM 207 OH TYR A 23 -17.656 6.629 -4.361 1.00 41.10 O ATOM 0 H TYR A 23 -14.839 2.318 -2.527 1.00 34.13 H new ATOM 0 HA TYR A 23 -11.917 2.326 -2.361 1.00 72.14 H new ATOM 0 HB2 TYR A 23 -11.955 4.656 -3.349 1.00 42.44 H new ATOM 0 HB3 TYR A 23 -12.446 3.436 -4.508 1.00 42.44 H new ATOM 0 HD1 TYR A 23 -14.988 3.073 -4.865 1.00 2.55 H new ATOM 0 HD2 TYR A 23 -13.431 6.480 -2.835 1.00 40.25 H new ATOM 0 HE1 TYR A 23 -17.102 4.234 -5.206 1.00 41.41 H new ATOM 0 HE2 TYR A 23 -15.574 7.639 -3.154 1.00 64.33 H new ATOM 0 HH TYR A 23 -17.514 7.598 -4.386 1.00 41.10 H new ATOM 217 N GLY A 24 -14.278 3.828 -0.727 1.00 54.21 N ATOM 218 CA GLY A 24 -14.503 4.575 0.475 1.00 42.54 C ATOM 219 C GLY A 24 -15.506 3.947 1.389 1.00 72.53 C ATOM 220 O GLY A 24 -15.159 3.095 2.210 1.00 34.42 O ATOM 0 H GLY A 24 -15.116 3.503 -1.210 1.00 54.21 H new ATOM 0 HA2 GLY A 24 -13.558 4.686 1.007 1.00 42.54 H new ATOM 0 HA3 GLY A 24 -14.840 5.578 0.212 1.00 42.54 H new ATOM 224 N SER A 25 -16.755 4.330 1.219 1.00 35.44 N ATOM 225 CA SER A 25 -17.840 3.924 2.096 1.00 22.12 C ATOM 226 C SER A 25 -18.021 2.401 2.170 1.00 44.41 C ATOM 227 O SER A 25 -18.406 1.866 3.209 1.00 73.43 O ATOM 228 CB SER A 25 -19.137 4.589 1.624 1.00 23.41 C ATOM 229 OG SER A 25 -18.989 6.009 1.573 1.00 12.11 O ATOM 0 H SER A 25 -17.052 4.941 0.458 1.00 35.44 H new ATOM 0 HA SER A 25 -17.586 4.249 3.105 1.00 22.12 H new ATOM 0 HB2 SER A 25 -19.407 4.211 0.638 1.00 23.41 H new ATOM 0 HB3 SER A 25 -19.952 4.328 2.299 1.00 23.41 H new ATOM 0 HG SER A 25 -19.827 6.415 1.268 1.00 12.11 H new ATOM 235 N PHE A 26 -17.717 1.702 1.094 1.00 24.31 N ATOM 236 CA PHE A 26 -17.976 0.270 1.056 1.00 44.41 C ATOM 237 C PHE A 26 -16.729 -0.568 0.903 1.00 31.43 C ATOM 238 O PHE A 26 -16.808 -1.729 0.524 1.00 41.32 O ATOM 239 CB PHE A 26 -18.987 -0.044 -0.039 1.00 60.32 C ATOM 240 CG PHE A 26 -20.284 0.649 0.184 1.00 31.45 C ATOM 241 CD1 PHE A 26 -20.905 0.584 1.418 1.00 34.21 C ATOM 242 CD2 PHE A 26 -20.863 1.389 -0.811 1.00 12.31 C ATOM 243 CE1 PHE A 26 -22.076 1.237 1.652 1.00 25.20 C ATOM 244 CE2 PHE A 26 -22.045 2.056 -0.586 1.00 63.33 C ATOM 245 CZ PHE A 26 -22.654 1.980 0.649 1.00 63.24 C ATOM 0 H PHE A 26 -17.299 2.089 0.248 1.00 24.31 H new ATOM 0 HA PHE A 26 -18.391 -0.002 2.026 1.00 44.41 H new ATOM 0 HB2 PHE A 26 -18.579 0.253 -1.005 1.00 60.32 H new ATOM 0 HB3 PHE A 26 -19.154 -1.120 -0.081 1.00 60.32 H new ATOM 0 HD1 PHE A 26 -20.453 0.005 2.210 1.00 34.21 H new ATOM 0 HD2 PHE A 26 -20.389 1.450 -1.779 1.00 12.31 H new ATOM 0 HE1 PHE A 26 -22.549 1.172 2.621 1.00 25.20 H new ATOM 0 HE2 PHE A 26 -22.496 2.639 -1.376 1.00 63.33 H new ATOM 0 HZ PHE A 26 -23.582 2.502 0.828 1.00 63.24 H new ATOM 255 N GLN A 27 -15.580 -0.017 1.253 1.00 62.03 N ATOM 256 CA GLN A 27 -14.347 -0.772 1.145 1.00 22.25 C ATOM 257 C GLN A 27 -14.167 -1.678 2.386 1.00 61.34 C ATOM 258 O GLN A 27 -13.224 -2.472 2.486 1.00 71.23 O ATOM 259 CB GLN A 27 -13.155 0.175 0.945 1.00 44.10 C ATOM 260 CG GLN A 27 -11.843 -0.535 0.664 1.00 64.25 C ATOM 261 CD GLN A 27 -10.674 0.404 0.430 1.00 43.03 C ATOM 262 OE1 GLN A 27 -10.687 1.541 1.072 1.00 1.52 O flip ATOM 263 NE2 GLN A 27 -9.750 0.086 -0.312 1.00 42.41 N flip ATOM 0 H GLN A 27 -15.476 0.933 1.608 1.00 62.03 H new ATOM 0 HA GLN A 27 -14.397 -1.419 0.269 1.00 22.25 H new ATOM 0 HB2 GLN A 27 -13.375 0.850 0.118 1.00 44.10 H new ATOM 0 HB3 GLN A 27 -13.039 0.791 1.837 1.00 44.10 H new ATOM 0 HG2 GLN A 27 -11.608 -1.190 1.503 1.00 64.25 H new ATOM 0 HG3 GLN A 27 -11.966 -1.172 -0.212 1.00 64.25 H new ATOM 0 HE21 GLN A 27 -9.772 -0.810 -0.798 1.00 42.41 H new ATOM 0 HE22 GLN A 27 -8.960 0.718 -0.442 1.00 42.41 H new ATOM 272 N ASP A 28 -15.096 -1.565 3.304 1.00 35.12 N ATOM 273 CA ASP A 28 -15.077 -2.343 4.523 1.00 14.42 C ATOM 274 C ASP A 28 -16.246 -3.330 4.519 1.00 33.33 C ATOM 275 O ASP A 28 -17.383 -2.932 4.345 1.00 60.53 O ATOM 276 CB ASP A 28 -15.165 -1.421 5.735 1.00 20.13 C ATOM 277 CG ASP A 28 -15.107 -2.174 7.033 1.00 21.34 C ATOM 278 OD1 ASP A 28 -13.983 -2.421 7.527 1.00 52.24 O ATOM 279 OD2 ASP A 28 -16.164 -2.521 7.577 1.00 34.13 O ATOM 0 H ASP A 28 -15.890 -0.929 3.228 1.00 35.12 H new ATOM 0 HA ASP A 28 -14.142 -2.900 4.580 1.00 14.42 H new ATOM 0 HB2 ASP A 28 -14.348 -0.700 5.700 1.00 20.13 H new ATOM 0 HB3 ASP A 28 -16.094 -0.853 5.689 1.00 20.13 H new ATOM 284 N PRO A 29 -15.978 -4.627 4.697 1.00 12.21 N ATOM 285 CA PRO A 29 -17.022 -5.667 4.671 1.00 15.41 C ATOM 286 C PRO A 29 -18.003 -5.580 5.845 1.00 23.20 C ATOM 287 O PRO A 29 -19.186 -5.901 5.705 1.00 33.12 O ATOM 288 CB PRO A 29 -16.226 -6.967 4.755 1.00 14.31 C ATOM 289 CG PRO A 29 -14.930 -6.588 5.385 1.00 60.33 C ATOM 290 CD PRO A 29 -14.638 -5.198 4.919 1.00 44.45 C ATOM 0 HA PRO A 29 -17.646 -5.573 3.783 1.00 15.41 H new ATOM 0 HB2 PRO A 29 -16.751 -7.713 5.351 1.00 14.31 H new ATOM 0 HB3 PRO A 29 -16.072 -7.400 3.766 1.00 14.31 H new ATOM 0 HG2 PRO A 29 -14.998 -6.629 6.472 1.00 60.33 H new ATOM 0 HG3 PRO A 29 -14.136 -7.274 5.089 1.00 60.33 H new ATOM 0 HD2 PRO A 29 -14.078 -4.633 5.664 1.00 44.45 H new ATOM 0 HD3 PRO A 29 -14.044 -5.196 4.005 1.00 44.45 H new ATOM 298 N ASP A 30 -17.529 -5.114 6.981 1.00 24.42 N ATOM 299 CA ASP A 30 -18.340 -5.063 8.192 1.00 22.02 C ATOM 300 C ASP A 30 -19.542 -4.144 8.023 1.00 24.22 C ATOM 301 O ASP A 30 -20.657 -4.465 8.478 1.00 24.55 O ATOM 302 CB ASP A 30 -17.492 -4.662 9.396 1.00 43.25 C ATOM 303 CG ASP A 30 -18.298 -4.516 10.657 1.00 5.22 C ATOM 304 OD1 ASP A 30 -18.572 -5.549 11.327 1.00 32.34 O ATOM 305 OD2 ASP A 30 -18.693 -3.381 10.995 1.00 35.35 O ATOM 0 H ASP A 30 -16.579 -4.761 7.097 1.00 24.42 H new ATOM 0 HA ASP A 30 -18.728 -6.065 8.376 1.00 22.02 H new ATOM 0 HB2 ASP A 30 -16.715 -5.410 9.552 1.00 43.25 H new ATOM 0 HB3 ASP A 30 -16.988 -3.719 9.182 1.00 43.25 H new ATOM 310 N VAL A 31 -19.337 -3.038 7.326 1.00 35.25 N ATOM 311 CA VAL A 31 -20.417 -2.097 7.063 1.00 41.41 C ATOM 312 C VAL A 31 -21.382 -2.658 6.017 1.00 53.14 C ATOM 313 O VAL A 31 -22.566 -2.344 6.026 1.00 31.21 O ATOM 314 CB VAL A 31 -19.930 -0.668 6.647 1.00 30.35 C ATOM 315 CG1 VAL A 31 -19.052 -0.054 7.723 1.00 41.24 C ATOM 316 CG2 VAL A 31 -19.215 -0.673 5.308 1.00 64.15 C ATOM 0 H VAL A 31 -18.435 -2.769 6.932 1.00 35.25 H new ATOM 0 HA VAL A 31 -20.938 -1.973 8.012 1.00 41.41 H new ATOM 0 HB VAL A 31 -20.821 -0.051 6.536 1.00 30.35 H new ATOM 0 HG11 VAL A 31 -18.729 0.938 7.407 1.00 41.24 H new ATOM 0 HG12 VAL A 31 -19.617 0.028 8.651 1.00 41.24 H new ATOM 0 HG13 VAL A 31 -18.179 -0.686 7.884 1.00 41.24 H new ATOM 0 HG21 VAL A 31 -18.896 0.340 5.062 1.00 64.15 H new ATOM 0 HG22 VAL A 31 -18.343 -1.325 5.364 1.00 64.15 H new ATOM 0 HG23 VAL A 31 -19.892 -1.038 4.535 1.00 64.15 H new ATOM 326 N ILE A 32 -20.867 -3.515 5.128 1.00 34.21 N ATOM 327 CA ILE A 32 -21.658 -4.108 4.061 1.00 51.15 C ATOM 328 C ILE A 32 -22.807 -4.954 4.636 1.00 1.44 C ATOM 329 O ILE A 32 -23.940 -4.941 4.113 1.00 73.43 O ATOM 330 CB ILE A 32 -20.760 -4.971 3.152 1.00 2.14 C ATOM 331 CG1 ILE A 32 -19.659 -4.124 2.512 1.00 50.14 C ATOM 332 CG2 ILE A 32 -21.559 -5.673 2.089 1.00 35.22 C ATOM 333 CD1 ILE A 32 -20.165 -2.983 1.660 1.00 50.10 C ATOM 0 H ILE A 32 -19.891 -3.812 5.134 1.00 34.21 H new ATOM 0 HA ILE A 32 -22.093 -3.304 3.468 1.00 51.15 H new ATOM 0 HB ILE A 32 -20.297 -5.731 3.782 1.00 2.14 H new ATOM 0 HG12 ILE A 32 -19.024 -3.719 3.300 1.00 50.14 H new ATOM 0 HG13 ILE A 32 -19.031 -4.770 1.898 1.00 50.14 H new ATOM 0 HG21 ILE A 32 -20.892 -6.271 1.468 1.00 35.22 H new ATOM 0 HG22 ILE A 32 -22.298 -6.323 2.559 1.00 35.22 H new ATOM 0 HG23 ILE A 32 -22.067 -4.935 1.469 1.00 35.22 H new ATOM 0 HD11 ILE A 32 -19.319 -2.435 1.245 1.00 50.10 H new ATOM 0 HD12 ILE A 32 -20.775 -3.378 0.847 1.00 50.10 H new ATOM 0 HD13 ILE A 32 -20.767 -2.311 2.272 1.00 50.10 H new ATOM 345 N ASN A 33 -22.515 -5.659 5.723 1.00 41.11 N ATOM 346 CA ASN A 33 -23.516 -6.463 6.435 1.00 43.44 C ATOM 347 C ASN A 33 -24.651 -5.583 6.915 1.00 10.31 C ATOM 348 O ASN A 33 -25.812 -5.991 6.926 1.00 4.13 O ATOM 349 CB ASN A 33 -22.895 -7.160 7.654 1.00 32.34 C ATOM 350 CG ASN A 33 -21.898 -8.243 7.319 1.00 71.31 C ATOM 351 OD1 ASN A 33 -22.256 -9.408 7.189 1.00 64.42 O ATOM 352 ND2 ASN A 33 -20.659 -7.885 7.184 1.00 3.23 N ATOM 0 H ASN A 33 -21.584 -5.693 6.138 1.00 41.11 H new ATOM 0 HA ASN A 33 -23.891 -7.213 5.739 1.00 43.44 H new ATOM 0 HB2 ASN A 33 -22.403 -6.410 8.273 1.00 32.34 H new ATOM 0 HB3 ASN A 33 -23.695 -7.594 8.254 1.00 32.34 H new ATOM 0 HD21 ASN A 33 -19.948 -8.582 6.963 1.00 3.23 H new ATOM 0 HD22 ASN A 33 -20.395 -6.906 7.299 1.00 3.23 H new ATOM 359 N VAL A 34 -24.306 -4.376 7.292 1.00 24.21 N ATOM 360 CA VAL A 34 -25.262 -3.437 7.818 1.00 14.30 C ATOM 361 C VAL A 34 -26.023 -2.728 6.707 1.00 72.41 C ATOM 362 O VAL A 34 -27.255 -2.701 6.711 1.00 11.03 O ATOM 363 CB VAL A 34 -24.588 -2.385 8.736 1.00 70.30 C ATOM 364 CG1 VAL A 34 -25.615 -1.402 9.281 1.00 65.40 C ATOM 365 CG2 VAL A 34 -23.836 -3.061 9.874 1.00 31.14 C ATOM 0 H VAL A 34 -23.352 -4.018 7.242 1.00 24.21 H new ATOM 0 HA VAL A 34 -25.968 -4.017 8.412 1.00 14.30 H new ATOM 0 HB VAL A 34 -23.869 -1.828 8.136 1.00 70.30 H new ATOM 0 HG11 VAL A 34 -25.118 -0.674 9.922 1.00 65.40 H new ATOM 0 HG12 VAL A 34 -26.099 -0.885 8.453 1.00 65.40 H new ATOM 0 HG13 VAL A 34 -26.365 -1.942 9.859 1.00 65.40 H new ATOM 0 HG21 VAL A 34 -23.372 -2.303 10.504 1.00 31.14 H new ATOM 0 HG22 VAL A 34 -24.532 -3.652 10.470 1.00 31.14 H new ATOM 0 HG23 VAL A 34 -23.065 -3.713 9.464 1.00 31.14 H new ATOM 375 N MET A 35 -25.293 -2.174 5.750 1.00 54.35 N ATOM 376 CA MET A 35 -25.893 -1.370 4.715 1.00 13.40 C ATOM 377 C MET A 35 -26.843 -2.201 3.859 1.00 53.23 C ATOM 378 O MET A 35 -27.914 -1.727 3.485 1.00 11.44 O ATOM 379 CB MET A 35 -24.793 -0.705 3.863 1.00 22.00 C ATOM 380 CG MET A 35 -25.247 0.483 2.997 1.00 74.21 C ATOM 381 SD MET A 35 -26.351 0.084 1.636 1.00 62.15 S ATOM 382 CE MET A 35 -25.233 -0.856 0.616 1.00 64.53 C ATOM 0 H MET A 35 -24.280 -2.272 5.676 1.00 54.35 H new ATOM 0 HA MET A 35 -26.487 -0.583 5.179 1.00 13.40 H new ATOM 0 HB2 MET A 35 -24.000 -0.364 4.529 1.00 22.00 H new ATOM 0 HB3 MET A 35 -24.358 -1.461 3.210 1.00 22.00 H new ATOM 0 HG2 MET A 35 -25.743 1.209 3.641 1.00 74.21 H new ATOM 0 HG3 MET A 35 -24.361 0.971 2.590 1.00 74.21 H new ATOM 0 HE1 MET A 35 -25.077 -0.335 -0.329 1.00 64.53 H new ATOM 0 HE2 MET A 35 -24.278 -0.968 1.130 1.00 64.53 H new ATOM 0 HE3 MET A 35 -25.658 -1.841 0.422 1.00 64.53 H new ATOM 392 N LEU A 36 -26.512 -3.457 3.599 1.00 34.44 N ATOM 393 CA LEU A 36 -27.403 -4.244 2.817 1.00 34.41 C ATOM 394 C LEU A 36 -27.902 -5.505 3.500 1.00 14.33 C ATOM 395 O LEU A 36 -29.114 -5.622 3.728 1.00 54.04 O ATOM 396 CB LEU A 36 -26.981 -4.389 1.321 1.00 54.12 C ATOM 397 CG LEU A 36 -25.560 -4.865 0.984 1.00 35.40 C ATOM 398 CD1 LEU A 36 -25.404 -6.334 1.215 1.00 14.33 C ATOM 399 CD2 LEU A 36 -25.195 -4.506 -0.442 1.00 24.02 C ATOM 0 H LEU A 36 -25.661 -3.924 3.912 1.00 34.44 H new ATOM 0 HA LEU A 36 -28.314 -3.650 2.751 1.00 34.41 H new ATOM 0 HB2 LEU A 36 -27.679 -5.081 0.849 1.00 54.12 H new ATOM 0 HB3 LEU A 36 -27.123 -3.419 0.845 1.00 54.12 H new ATOM 0 HG LEU A 36 -24.874 -4.349 1.656 1.00 35.40 H new ATOM 0 HD11 LEU A 36 -24.386 -6.635 0.966 1.00 14.33 H new ATOM 0 HD12 LEU A 36 -25.604 -6.561 2.262 1.00 14.33 H new ATOM 0 HD13 LEU A 36 -26.108 -6.878 0.585 1.00 14.33 H new ATOM 0 HD21 LEU A 36 -24.184 -4.853 -0.657 1.00 24.02 H new ATOM 0 HD22 LEU A 36 -25.896 -4.982 -1.128 1.00 24.02 H new ATOM 0 HD23 LEU A 36 -25.242 -3.424 -0.568 1.00 24.02 H new ATOM 411 N ASP A 37 -26.998 -6.414 3.892 1.00 52.50 N ATOM 412 CA ASP A 37 -27.420 -7.699 4.502 1.00 60.33 C ATOM 413 C ASP A 37 -26.224 -8.627 4.694 1.00 62.30 C ATOM 414 O ASP A 37 -25.941 -9.082 5.807 1.00 11.24 O ATOM 415 CB ASP A 37 -28.449 -8.418 3.602 1.00 2.43 C ATOM 416 CG ASP A 37 -29.110 -9.586 4.279 1.00 61.02 C ATOM 417 OD1 ASP A 37 -30.125 -9.369 4.978 1.00 50.14 O ATOM 418 OD2 ASP A 37 -28.654 -10.722 4.121 1.00 0.41 O ATOM 0 H ASP A 37 -25.989 -6.295 3.804 1.00 52.50 H new ATOM 0 HA ASP A 37 -27.868 -7.468 5.469 1.00 60.33 H new ATOM 0 HB2 ASP A 37 -29.213 -7.705 3.293 1.00 2.43 H new ATOM 0 HB3 ASP A 37 -27.951 -8.765 2.696 1.00 2.43 H new ATOM 423 N ARG A 38 -25.512 -8.884 3.606 1.00 33.34 N ATOM 424 CA ARG A 38 -24.368 -9.829 3.610 1.00 4.32 C ATOM 425 C ARG A 38 -23.233 -9.275 2.789 1.00 35.24 C ATOM 426 O ARG A 38 -23.444 -8.431 1.941 1.00 0.32 O ATOM 427 CB ARG A 38 -24.749 -11.228 3.062 1.00 41.12 C ATOM 428 CG ARG A 38 -25.773 -12.002 3.881 1.00 23.34 C ATOM 429 CD ARG A 38 -25.300 -12.210 5.311 1.00 34.34 C ATOM 430 NE ARG A 38 -26.246 -13.006 6.094 1.00 15.22 N ATOM 431 CZ ARG A 38 -26.951 -12.552 7.137 1.00 12.13 C ATOM 432 NH1 ARG A 38 -26.963 -11.252 7.430 1.00 51.00 N ATOM 433 NH2 ARG A 38 -27.675 -13.395 7.866 1.00 23.34 N ATOM 0 H ARG A 38 -25.695 -8.457 2.698 1.00 33.34 H new ATOM 0 HA ARG A 38 -24.064 -9.947 4.650 1.00 4.32 H new ATOM 0 HB2 ARG A 38 -25.136 -11.108 2.050 1.00 41.12 H new ATOM 0 HB3 ARG A 38 -23.842 -11.828 2.988 1.00 41.12 H new ATOM 0 HG2 ARG A 38 -26.720 -11.463 3.885 1.00 23.34 H new ATOM 0 HG3 ARG A 38 -25.959 -12.969 3.414 1.00 23.34 H new ATOM 0 HD2 ARG A 38 -24.329 -12.706 5.303 1.00 34.34 H new ATOM 0 HD3 ARG A 38 -25.159 -11.241 5.790 1.00 34.34 H new ATOM 0 HE ARG A 38 -26.378 -13.981 5.824 1.00 15.22 H new ATOM 0 HH11 ARG A 38 -26.432 -10.595 6.858 1.00 51.00 H new ATOM 0 HH12 ARG A 38 -27.503 -10.914 8.227 1.00 51.00 H new ATOM 0 HH21 ARG A 38 -27.693 -14.387 7.630 1.00 23.34 H new ATOM 0 HH22 ARG A 38 -28.213 -13.050 8.661 1.00 23.34 H new ATOM 447 N THR A 39 -22.043 -9.753 3.023 1.00 43.01 N ATOM 448 CA THR A 39 -20.897 -9.243 2.325 1.00 15.55 C ATOM 449 C THR A 39 -20.559 -10.080 1.070 1.00 74.31 C ATOM 450 O THR A 39 -20.351 -11.299 1.160 1.00 61.44 O ATOM 451 CB THR A 39 -19.688 -9.212 3.260 1.00 54.31 C ATOM 452 OG1 THR A 39 -20.094 -8.588 4.476 1.00 13.32 O ATOM 453 CG2 THR A 39 -18.579 -8.380 2.653 1.00 45.34 C ATOM 0 H THR A 39 -21.841 -10.496 3.692 1.00 43.01 H new ATOM 0 HA THR A 39 -21.140 -8.233 1.995 1.00 15.55 H new ATOM 0 HB THR A 39 -19.328 -10.227 3.428 1.00 54.31 H new ATOM 0 HG1 THR A 39 -19.618 -7.738 4.583 1.00 13.32 H new ATOM 0 HG21 THR A 39 -17.724 -8.366 3.328 1.00 45.34 H new ATOM 0 HG22 THR A 39 -18.280 -8.813 1.698 1.00 45.34 H new ATOM 0 HG23 THR A 39 -18.933 -7.361 2.495 1.00 45.34 H new ATOM 461 N PRO A 40 -20.537 -9.431 -0.119 1.00 4.11 N ATOM 462 CA PRO A 40 -20.111 -10.045 -1.384 1.00 13.44 C ATOM 463 C PRO A 40 -18.656 -10.496 -1.321 1.00 54.22 C ATOM 464 O PRO A 40 -17.874 -9.974 -0.509 1.00 70.34 O ATOM 465 CB PRO A 40 -20.249 -8.912 -2.404 1.00 33.42 C ATOM 466 CG PRO A 40 -21.203 -7.974 -1.795 1.00 12.21 C ATOM 467 CD PRO A 40 -20.942 -8.035 -0.328 1.00 4.04 C ATOM 0 HA PRO A 40 -20.700 -10.930 -1.626 1.00 13.44 H new ATOM 0 HB2 PRO A 40 -19.289 -8.432 -2.595 1.00 33.42 H new ATOM 0 HB3 PRO A 40 -20.615 -9.283 -3.361 1.00 33.42 H new ATOM 0 HG2 PRO A 40 -21.058 -6.964 -2.177 1.00 12.21 H new ATOM 0 HG3 PRO A 40 -22.231 -8.257 -2.023 1.00 12.21 H new ATOM 0 HD2 PRO A 40 -20.158 -7.339 -0.029 1.00 4.04 H new ATOM 0 HD3 PRO A 40 -21.831 -7.782 0.250 1.00 4.04 H new ATOM 475 N GLU A 41 -18.315 -11.498 -2.111 1.00 54.24 N ATOM 476 CA GLU A 41 -16.945 -11.974 -2.194 1.00 42.33 C ATOM 477 C GLU A 41 -16.030 -10.811 -2.591 1.00 13.13 C ATOM 478 O GLU A 41 -16.312 -10.083 -3.530 1.00 22.14 O ATOM 479 CB GLU A 41 -16.822 -13.102 -3.220 1.00 54.51 C ATOM 480 CG GLU A 41 -15.412 -13.650 -3.351 1.00 1.25 C ATOM 481 CD GLU A 41 -14.912 -14.273 -2.075 1.00 33.22 C ATOM 482 OE1 GLU A 41 -14.516 -13.532 -1.139 1.00 72.25 O ATOM 483 OE2 GLU A 41 -14.879 -15.511 -1.990 1.00 21.33 O ATOM 0 H GLU A 41 -18.972 -12.001 -2.708 1.00 54.24 H new ATOM 0 HA GLU A 41 -16.649 -12.364 -1.220 1.00 42.33 H new ATOM 0 HB2 GLU A 41 -17.494 -13.913 -2.939 1.00 54.51 H new ATOM 0 HB3 GLU A 41 -17.153 -12.736 -4.192 1.00 54.51 H new ATOM 0 HG2 GLU A 41 -15.388 -14.393 -4.148 1.00 1.25 H new ATOM 0 HG3 GLU A 41 -14.739 -12.845 -3.646 1.00 1.25 H new ATOM 490 N ILE A 42 -14.959 -10.655 -1.892 1.00 34.22 N ATOM 491 CA ILE A 42 -14.086 -9.530 -2.105 1.00 64.34 C ATOM 492 C ILE A 42 -12.757 -10.020 -2.598 1.00 61.43 C ATOM 493 O ILE A 42 -12.202 -10.994 -2.073 1.00 33.14 O ATOM 494 CB ILE A 42 -13.851 -8.738 -0.784 1.00 75.23 C ATOM 495 CG1 ILE A 42 -15.176 -8.334 -0.145 1.00 23.32 C ATOM 496 CG2 ILE A 42 -12.996 -7.502 -1.045 1.00 70.30 C ATOM 497 CD1 ILE A 42 -15.034 -7.604 1.177 1.00 55.54 C ATOM 0 H ILE A 42 -14.656 -11.295 -1.158 1.00 34.22 H new ATOM 0 HA ILE A 42 -14.558 -8.873 -2.836 1.00 64.34 H new ATOM 0 HB ILE A 42 -13.321 -9.392 -0.091 1.00 75.23 H new ATOM 0 HG12 ILE A 42 -15.723 -7.698 -0.841 1.00 23.32 H new ATOM 0 HG13 ILE A 42 -15.779 -9.229 0.010 1.00 23.32 H new ATOM 0 HG21 ILE A 42 -12.843 -6.962 -0.111 1.00 70.30 H new ATOM 0 HG22 ILE A 42 -12.031 -7.806 -1.451 1.00 70.30 H new ATOM 0 HG23 ILE A 42 -13.502 -6.854 -1.760 1.00 70.30 H new ATOM 0 HD11 ILE A 42 -16.022 -7.353 1.562 1.00 55.54 H new ATOM 0 HD12 ILE A 42 -14.517 -8.244 1.892 1.00 55.54 H new ATOM 0 HD13 ILE A 42 -14.460 -6.689 1.028 1.00 55.54 H new ATOM 509 N VAL A 43 -12.261 -9.375 -3.591 1.00 64.32 N ATOM 510 CA VAL A 43 -10.968 -9.665 -4.100 1.00 21.10 C ATOM 511 C VAL A 43 -10.156 -8.389 -4.103 1.00 35.23 C ATOM 512 O VAL A 43 -10.695 -7.300 -4.317 1.00 54.23 O ATOM 513 CB VAL A 43 -11.017 -10.283 -5.528 1.00 73.53 C ATOM 514 CG1 VAL A 43 -11.654 -9.334 -6.530 1.00 62.43 C ATOM 515 CG2 VAL A 43 -9.631 -10.678 -5.983 1.00 64.13 C ATOM 0 H VAL A 43 -12.746 -8.622 -4.079 1.00 64.32 H new ATOM 0 HA VAL A 43 -10.503 -10.412 -3.457 1.00 21.10 H new ATOM 0 HB VAL A 43 -11.639 -11.176 -5.477 1.00 73.53 H new ATOM 0 HG11 VAL A 43 -11.670 -9.801 -7.515 1.00 62.43 H new ATOM 0 HG12 VAL A 43 -12.674 -9.108 -6.219 1.00 62.43 H new ATOM 0 HG13 VAL A 43 -11.076 -8.411 -6.576 1.00 62.43 H new ATOM 0 HG21 VAL A 43 -9.685 -11.108 -6.983 1.00 64.13 H new ATOM 0 HG22 VAL A 43 -8.989 -9.797 -6.001 1.00 64.13 H new ATOM 0 HG23 VAL A 43 -9.218 -11.414 -5.293 1.00 64.13 H new ATOM 525 N SER A 44 -8.902 -8.499 -3.832 1.00 24.02 N ATOM 526 CA SER A 44 -8.045 -7.372 -3.875 1.00 31.55 C ATOM 527 C SER A 44 -7.647 -7.114 -5.317 1.00 54.44 C ATOM 528 O SER A 44 -7.191 -8.031 -6.026 1.00 43.24 O ATOM 529 CB SER A 44 -6.841 -7.644 -3.023 1.00 44.23 C ATOM 530 OG SER A 44 -7.240 -7.915 -1.679 1.00 40.41 O ATOM 0 H SER A 44 -8.444 -9.373 -3.575 1.00 24.02 H new ATOM 0 HA SER A 44 -8.550 -6.486 -3.489 1.00 31.55 H new ATOM 0 HB2 SER A 44 -6.287 -8.493 -3.424 1.00 44.23 H new ATOM 0 HB3 SER A 44 -6.169 -6.786 -3.045 1.00 44.23 H new ATOM 0 HG SER A 44 -6.447 -8.093 -1.132 1.00 40.41 H new ATOM 536 N ALA A 45 -7.835 -5.909 -5.759 1.00 23.44 N ATOM 537 CA ALA A 45 -7.533 -5.558 -7.110 1.00 32.32 C ATOM 538 C ALA A 45 -6.957 -4.174 -7.186 1.00 32.12 C ATOM 539 O ALA A 45 -7.142 -3.359 -6.290 1.00 62.41 O ATOM 540 CB ALA A 45 -8.776 -5.645 -7.955 1.00 74.35 C ATOM 0 H ALA A 45 -8.201 -5.143 -5.194 1.00 23.44 H new ATOM 0 HA ALA A 45 -6.791 -6.260 -7.489 1.00 32.32 H new ATOM 0 HB1 ALA A 45 -8.536 -5.376 -8.984 1.00 74.35 H new ATOM 0 HB2 ALA A 45 -9.164 -6.663 -7.928 1.00 74.35 H new ATOM 0 HB3 ALA A 45 -9.529 -4.959 -7.566 1.00 74.35 H new ATOM 546 N THR A 46 -6.275 -3.925 -8.240 1.00 34.00 N ATOM 547 CA THR A 46 -5.658 -2.668 -8.485 1.00 50.33 C ATOM 548 C THR A 46 -6.308 -1.994 -9.665 1.00 31.53 C ATOM 549 O THR A 46 -6.461 -2.597 -10.717 1.00 2.51 O ATOM 550 CB THR A 46 -4.150 -2.856 -8.743 1.00 21.22 C ATOM 551 OG1 THR A 46 -3.567 -3.442 -7.591 1.00 24.02 O ATOM 552 CG2 THR A 46 -3.455 -1.529 -9.028 1.00 11.11 C ATOM 0 H THR A 46 -6.123 -4.608 -8.982 1.00 34.00 H new ATOM 0 HA THR A 46 -5.785 -2.037 -7.606 1.00 50.33 H new ATOM 0 HB THR A 46 -4.027 -3.495 -9.618 1.00 21.22 H new ATOM 0 HG1 THR A 46 -3.183 -4.313 -7.825 1.00 24.02 H new ATOM 0 HG21 THR A 46 -2.394 -1.705 -9.204 1.00 11.11 H new ATOM 0 HG22 THR A 46 -3.898 -1.068 -9.911 1.00 11.11 H new ATOM 0 HG23 THR A 46 -3.575 -0.864 -8.173 1.00 11.11 H new ATOM 560 N LEU A 47 -6.716 -0.778 -9.471 1.00 12.13 N ATOM 561 CA LEU A 47 -7.296 0.016 -10.505 1.00 43.54 C ATOM 562 C LEU A 47 -6.247 0.986 -11.050 1.00 11.43 C ATOM 563 O LEU A 47 -5.935 1.995 -10.415 1.00 73.21 O ATOM 564 CB LEU A 47 -8.527 0.766 -9.971 1.00 71.04 C ATOM 565 CG LEU A 47 -9.217 1.714 -10.945 1.00 65.23 C ATOM 566 CD1 LEU A 47 -9.611 0.996 -12.220 1.00 31.03 C ATOM 567 CD2 LEU A 47 -10.440 2.347 -10.299 1.00 42.31 C ATOM 0 H LEU A 47 -6.653 -0.302 -8.571 1.00 12.13 H new ATOM 0 HA LEU A 47 -7.628 -0.628 -11.319 1.00 43.54 H new ATOM 0 HB2 LEU A 47 -9.257 0.029 -9.636 1.00 71.04 H new ATOM 0 HB3 LEU A 47 -8.225 1.338 -9.094 1.00 71.04 H new ATOM 0 HG LEU A 47 -8.509 2.501 -11.203 1.00 65.23 H new ATOM 0 HD11 LEU A 47 -10.101 1.697 -12.896 1.00 31.03 H new ATOM 0 HD12 LEU A 47 -8.720 0.592 -12.700 1.00 31.03 H new ATOM 0 HD13 LEU A 47 -10.296 0.182 -11.982 1.00 31.03 H new ATOM 0 HD21 LEU A 47 -10.919 3.020 -11.010 1.00 42.31 H new ATOM 0 HD22 LEU A 47 -11.143 1.566 -10.008 1.00 42.31 H new ATOM 0 HD23 LEU A 47 -10.135 2.908 -9.416 1.00 42.31 H new ATOM 579 N PRO A 48 -5.645 0.657 -12.195 1.00 51.34 N ATOM 580 CA PRO A 48 -4.644 1.492 -12.817 1.00 63.34 C ATOM 581 C PRO A 48 -5.272 2.523 -13.751 1.00 62.02 C ATOM 582 O PRO A 48 -6.173 2.205 -14.553 1.00 11.02 O ATOM 583 CB PRO A 48 -3.809 0.489 -13.600 1.00 35.42 C ATOM 584 CG PRO A 48 -4.763 -0.602 -13.976 1.00 23.53 C ATOM 585 CD PRO A 48 -5.891 -0.570 -12.974 1.00 51.24 C ATOM 0 HA PRO A 48 -4.069 2.073 -12.097 1.00 63.34 H new ATOM 0 HB2 PRO A 48 -3.367 0.949 -14.484 1.00 35.42 H new ATOM 0 HB3 PRO A 48 -2.987 0.104 -12.997 1.00 35.42 H new ATOM 0 HG2 PRO A 48 -5.141 -0.451 -14.987 1.00 23.53 H new ATOM 0 HG3 PRO A 48 -4.264 -1.571 -13.964 1.00 23.53 H new ATOM 0 HD2 PRO A 48 -6.862 -0.541 -13.468 1.00 51.24 H new ATOM 0 HD3 PRO A 48 -5.884 -1.455 -12.337 1.00 51.24 H new ATOM 593 N GLY A 49 -4.808 3.738 -13.658 1.00 15.51 N ATOM 594 CA GLY A 49 -5.352 4.785 -14.468 1.00 55.42 C ATOM 595 C GLY A 49 -6.311 5.636 -13.683 1.00 52.43 C ATOM 596 O GLY A 49 -7.031 6.465 -14.245 1.00 51.40 O ATOM 0 H GLY A 49 -4.057 4.024 -13.031 1.00 15.51 H new ATOM 0 HA2 GLY A 49 -4.544 5.406 -14.856 1.00 55.42 H new ATOM 0 HA3 GLY A 49 -5.864 4.354 -15.328 1.00 55.42 H new ATOM 600 N PHE A 50 -6.309 5.451 -12.371 1.00 14.35 N ATOM 601 CA PHE A 50 -7.177 6.179 -11.470 1.00 31.33 C ATOM 602 C PHE A 50 -6.450 6.419 -10.187 1.00 12.34 C ATOM 603 O PHE A 50 -5.482 5.730 -9.893 1.00 62.24 O ATOM 604 CB PHE A 50 -8.506 5.435 -11.207 1.00 45.33 C ATOM 605 CG PHE A 50 -9.446 5.383 -12.393 1.00 52.44 C ATOM 606 CD1 PHE A 50 -9.357 4.377 -13.338 1.00 52.12 C ATOM 607 CD2 PHE A 50 -10.413 6.357 -12.557 1.00 22.44 C ATOM 608 CE1 PHE A 50 -10.211 4.348 -14.417 1.00 44.41 C ATOM 609 CE2 PHE A 50 -11.270 6.334 -13.632 1.00 40.14 C ATOM 610 CZ PHE A 50 -11.170 5.330 -14.566 1.00 73.02 C ATOM 0 H PHE A 50 -5.697 4.784 -11.902 1.00 14.35 H new ATOM 0 HA PHE A 50 -7.438 7.128 -11.938 1.00 31.33 H new ATOM 0 HB2 PHE A 50 -8.280 4.416 -10.894 1.00 45.33 H new ATOM 0 HB3 PHE A 50 -9.019 5.918 -10.375 1.00 45.33 H new ATOM 0 HD1 PHE A 50 -8.609 3.606 -13.228 1.00 52.12 H new ATOM 0 HD2 PHE A 50 -10.497 7.150 -11.828 1.00 22.44 H new ATOM 0 HE1 PHE A 50 -10.131 3.557 -15.148 1.00 44.41 H new ATOM 0 HE2 PHE A 50 -12.020 7.103 -13.742 1.00 40.14 H new ATOM 0 HZ PHE A 50 -11.839 5.310 -15.413 1.00 73.02 H new ATOM 620 N GLN A 51 -6.894 7.378 -9.435 1.00 10.31 N ATOM 621 CA GLN A 51 -6.260 7.703 -8.199 1.00 73.22 C ATOM 622 C GLN A 51 -7.305 8.003 -7.157 1.00 15.00 C ATOM 623 O GLN A 51 -8.368 8.564 -7.463 1.00 64.12 O ATOM 624 CB GLN A 51 -5.319 8.903 -8.368 1.00 71.34 C ATOM 625 CG GLN A 51 -4.507 9.233 -7.126 1.00 2.30 C ATOM 626 CD GLN A 51 -3.594 8.093 -6.723 1.00 54.25 C ATOM 627 OE1 GLN A 51 -3.974 7.220 -5.953 1.00 64.31 O ATOM 628 NE2 GLN A 51 -2.399 8.088 -7.246 1.00 1.24 N ATOM 0 H GLN A 51 -7.704 7.955 -9.661 1.00 10.31 H new ATOM 0 HA GLN A 51 -5.665 6.849 -7.876 1.00 73.22 H new ATOM 0 HB2 GLN A 51 -4.636 8.702 -9.193 1.00 71.34 H new ATOM 0 HB3 GLN A 51 -5.908 9.777 -8.647 1.00 71.34 H new ATOM 0 HG2 GLN A 51 -3.911 10.127 -7.310 1.00 2.30 H new ATOM 0 HG3 GLN A 51 -5.183 9.464 -6.303 1.00 2.30 H new ATOM 0 HE21 GLN A 51 -2.118 8.833 -7.884 1.00 1.24 H new ATOM 0 HE22 GLN A 51 -1.745 7.339 -7.017 1.00 1.24 H new ATOM 637 N ARG A 52 -7.010 7.602 -5.956 1.00 14.33 N ATOM 638 CA ARG A 52 -7.861 7.795 -4.823 1.00 5.23 C ATOM 639 C ARG A 52 -7.283 8.905 -3.999 1.00 25.02 C ATOM 640 O ARG A 52 -6.083 8.929 -3.729 1.00 51.31 O ATOM 641 CB ARG A 52 -7.919 6.500 -4.017 1.00 62.10 C ATOM 642 CG ARG A 52 -8.715 6.545 -2.718 1.00 15.35 C ATOM 643 CD ARG A 52 -8.612 5.200 -2.020 1.00 5.21 C ATOM 644 NE ARG A 52 -9.255 5.165 -0.704 1.00 15.33 N ATOM 645 CZ ARG A 52 -8.863 4.344 0.285 1.00 32.34 C ATOM 646 NH1 ARG A 52 -7.884 3.473 0.075 1.00 73.01 N ATOM 647 NH2 ARG A 52 -9.471 4.361 1.468 1.00 52.34 N ATOM 0 H ARG A 52 -6.142 7.116 -5.732 1.00 14.33 H new ATOM 0 HA ARG A 52 -8.874 8.056 -5.130 1.00 5.23 H new ATOM 0 HB2 ARG A 52 -8.344 5.722 -4.651 1.00 62.10 H new ATOM 0 HB3 ARG A 52 -6.898 6.198 -3.782 1.00 62.10 H new ATOM 0 HG2 ARG A 52 -8.332 7.334 -2.071 1.00 15.35 H new ATOM 0 HG3 ARG A 52 -9.759 6.781 -2.925 1.00 15.35 H new ATOM 0 HD2 ARG A 52 -9.063 4.437 -2.654 1.00 5.21 H new ATOM 0 HD3 ARG A 52 -7.560 4.940 -1.907 1.00 5.21 H new ATOM 0 HE ARG A 52 -10.038 5.795 -0.530 1.00 15.33 H new ATOM 0 HH11 ARG A 52 -7.429 3.427 -0.837 1.00 73.01 H new ATOM 0 HH12 ARG A 52 -7.586 2.850 0.825 1.00 73.01 H new ATOM 0 HH21 ARG A 52 -10.246 5.003 1.634 1.00 52.34 H new ATOM 0 HH22 ARG A 52 -9.162 3.732 2.209 1.00 52.34 H new ATOM 661 N PHE A 53 -8.103 9.810 -3.615 1.00 1.43 N ATOM 662 CA PHE A 53 -7.654 10.935 -2.881 1.00 73.31 C ATOM 663 C PHE A 53 -8.073 10.913 -1.447 1.00 4.02 C ATOM 664 O PHE A 53 -8.871 10.079 -1.020 1.00 63.24 O ATOM 665 CB PHE A 53 -7.980 12.252 -3.586 1.00 4.42 C ATOM 666 CG PHE A 53 -7.135 12.466 -4.808 1.00 32.45 C ATOM 667 CD1 PHE A 53 -7.525 11.984 -6.042 1.00 1.31 C ATOM 668 CD2 PHE A 53 -5.926 13.132 -4.706 1.00 35.20 C ATOM 669 CE1 PHE A 53 -6.722 12.165 -7.154 1.00 14.15 C ATOM 670 CE2 PHE A 53 -5.123 13.318 -5.812 1.00 43.21 C ATOM 671 CZ PHE A 53 -5.521 12.833 -7.039 1.00 42.23 C ATOM 0 H PHE A 53 -9.106 9.793 -3.800 1.00 1.43 H new ATOM 0 HA PHE A 53 -6.567 10.865 -2.855 1.00 73.31 H new ATOM 0 HB2 PHE A 53 -9.033 12.260 -3.869 1.00 4.42 H new ATOM 0 HB3 PHE A 53 -7.830 13.080 -2.893 1.00 4.42 H new ATOM 0 HD1 PHE A 53 -8.465 11.461 -6.140 1.00 1.31 H new ATOM 0 HD2 PHE A 53 -5.607 13.512 -3.747 1.00 35.20 H new ATOM 0 HE1 PHE A 53 -7.036 11.782 -8.114 1.00 14.15 H new ATOM 0 HE2 PHE A 53 -4.184 13.843 -5.717 1.00 43.21 H new ATOM 0 HZ PHE A 53 -4.895 12.976 -7.907 1.00 42.23 H new ATOM 681 N ARG A 54 -7.508 11.811 -0.717 1.00 2.41 N ATOM 682 CA ARG A 54 -7.675 11.920 0.697 1.00 72.45 C ATOM 683 C ARG A 54 -8.870 12.788 0.988 1.00 35.23 C ATOM 684 O ARG A 54 -9.153 13.722 0.234 1.00 32.54 O ATOM 685 CB ARG A 54 -6.408 12.597 1.244 1.00 62.13 C ATOM 686 CG ARG A 54 -6.355 12.877 2.740 1.00 74.11 C ATOM 687 CD ARG A 54 -6.361 11.619 3.534 1.00 41.12 C ATOM 688 NE ARG A 54 -6.324 11.860 4.974 1.00 45.13 N ATOM 689 CZ ARG A 54 -6.136 10.914 5.902 1.00 35.03 C ATOM 690 NH1 ARG A 54 -6.005 9.634 5.541 1.00 14.43 N ATOM 691 NH2 ARG A 54 -6.085 11.253 7.183 1.00 42.21 N ATOM 0 H ARG A 54 -6.888 12.523 -1.104 1.00 2.41 H new ATOM 0 HA ARG A 54 -7.828 10.943 1.155 1.00 72.45 H new ATOM 0 HB2 ARG A 54 -5.554 11.970 0.988 1.00 62.13 H new ATOM 0 HB3 ARG A 54 -6.278 13.543 0.719 1.00 62.13 H new ATOM 0 HG2 ARG A 54 -5.457 13.450 2.972 1.00 74.11 H new ATOM 0 HG3 ARG A 54 -7.208 13.492 3.026 1.00 74.11 H new ATOM 0 HD2 ARG A 54 -7.254 11.044 3.289 1.00 41.12 H new ATOM 0 HD3 ARG A 54 -5.502 11.011 3.250 1.00 41.12 H new ATOM 0 HE ARG A 54 -6.451 12.819 5.296 1.00 45.13 H new ATOM 0 HH11 ARG A 54 -6.048 9.375 4.555 1.00 14.43 H new ATOM 0 HH12 ARG A 54 -5.862 8.916 6.251 1.00 14.43 H new ATOM 0 HH21 ARG A 54 -6.189 12.230 7.456 1.00 42.21 H new ATOM 0 HH22 ARG A 54 -5.942 10.537 7.895 1.00 42.21 H new ATOM 796 N TYR A 60 -14.907 13.719 0.467 1.00 15.11 N ATOM 797 CA TYR A 60 -14.684 12.323 0.827 1.00 23.42 C ATOM 798 C TYR A 60 -13.443 11.805 0.079 1.00 43.12 C ATOM 799 O TYR A 60 -12.946 12.483 -0.834 1.00 62.51 O ATOM 800 CB TYR A 60 -15.876 11.478 0.332 1.00 32.04 C ATOM 801 CG TYR A 60 -17.259 11.981 0.678 1.00 41.13 C ATOM 802 CD1 TYR A 60 -17.868 11.655 1.877 1.00 4.22 C ATOM 803 CD2 TYR A 60 -17.963 12.768 -0.227 1.00 62.21 C ATOM 804 CE1 TYR A 60 -19.140 12.105 2.165 1.00 53.14 C ATOM 805 CE2 TYR A 60 -19.230 13.216 0.051 1.00 15.41 C ATOM 806 CZ TYR A 60 -19.816 12.885 1.244 1.00 62.54 C ATOM 807 OH TYR A 60 -21.092 13.328 1.520 1.00 53.23 O ATOM 0 HA TYR A 60 -14.562 12.249 1.908 1.00 23.42 H new ATOM 0 HB2 TYR A 60 -15.806 11.395 -0.753 1.00 32.04 H new ATOM 0 HB3 TYR A 60 -15.770 10.471 0.736 1.00 32.04 H new ATOM 0 HD1 TYR A 60 -17.342 11.042 2.594 1.00 4.22 H new ATOM 0 HD2 TYR A 60 -17.503 13.032 -1.168 1.00 62.21 H new ATOM 0 HE1 TYR A 60 -19.606 11.849 3.105 1.00 53.14 H new ATOM 0 HE2 TYR A 60 -19.761 13.825 -0.666 1.00 15.41 H new ATOM 0 HH TYR A 60 -21.715 12.963 0.858 1.00 53.23 H new ATOM 817 N PRO A 61 -12.927 10.600 0.436 1.00 64.12 N ATOM 818 CA PRO A 61 -11.861 9.970 -0.320 1.00 24.04 C ATOM 819 C PRO A 61 -12.442 9.394 -1.609 1.00 62.53 C ATOM 820 O PRO A 61 -13.047 8.323 -1.603 1.00 4.41 O ATOM 821 CB PRO A 61 -11.354 8.830 0.594 1.00 21.54 C ATOM 822 CG PRO A 61 -12.091 8.990 1.889 1.00 62.35 C ATOM 823 CD PRO A 61 -13.331 9.774 1.586 1.00 40.51 C ATOM 0 HA PRO A 61 -11.062 10.660 -0.592 1.00 24.04 H new ATOM 0 HB2 PRO A 61 -11.551 7.855 0.149 1.00 21.54 H new ATOM 0 HB3 PRO A 61 -10.277 8.899 0.745 1.00 21.54 H new ATOM 0 HG2 PRO A 61 -12.342 8.018 2.314 1.00 62.35 H new ATOM 0 HG3 PRO A 61 -11.475 9.509 2.623 1.00 62.35 H new ATOM 0 HD2 PRO A 61 -14.170 9.123 1.341 1.00 40.51 H new ATOM 0 HD3 PRO A 61 -13.639 10.386 2.434 1.00 40.51 H new ATOM 831 N CYS A 62 -12.304 10.124 -2.676 1.00 0.43 N ATOM 832 CA CYS A 62 -12.926 9.770 -3.923 1.00 43.21 C ATOM 833 C CYS A 62 -11.899 9.316 -4.977 1.00 20.42 C ATOM 834 O CYS A 62 -10.682 9.454 -4.775 1.00 70.22 O ATOM 835 CB CYS A 62 -13.752 10.964 -4.398 1.00 22.23 C ATOM 836 SG CYS A 62 -12.796 12.494 -4.559 1.00 44.24 S ATOM 0 H CYS A 62 -11.756 10.984 -2.709 1.00 0.43 H new ATOM 0 HA CYS A 62 -13.580 8.911 -3.773 1.00 43.21 H new ATOM 0 HB2 CYS A 62 -14.201 10.723 -5.362 1.00 22.23 H new ATOM 0 HB3 CYS A 62 -14.571 11.130 -3.698 1.00 22.23 H new ATOM 0 HG CYS A 62 -13.371 13.276 -5.424 1.00 44.24 H new ATOM 842 N ILE A 63 -12.402 8.760 -6.078 1.00 11.44 N ATOM 843 CA ILE A 63 -11.576 8.256 -7.182 1.00 73.41 C ATOM 844 C ILE A 63 -11.726 9.180 -8.383 1.00 43.02 C ATOM 845 O ILE A 63 -12.800 9.682 -8.623 1.00 3.51 O ATOM 846 CB ILE A 63 -12.072 6.828 -7.629 1.00 1.12 C ATOM 847 CG1 ILE A 63 -11.997 5.813 -6.489 1.00 23.05 C ATOM 848 CG2 ILE A 63 -11.298 6.314 -8.844 1.00 10.53 C ATOM 849 CD1 ILE A 63 -10.601 5.539 -5.993 1.00 11.04 C ATOM 0 H ILE A 63 -13.403 8.644 -6.233 1.00 11.44 H new ATOM 0 HA ILE A 63 -10.541 8.209 -6.842 1.00 73.41 H new ATOM 0 HB ILE A 63 -13.118 6.942 -7.912 1.00 1.12 H new ATOM 0 HG12 ILE A 63 -12.601 6.174 -5.657 1.00 23.05 H new ATOM 0 HG13 ILE A 63 -12.442 4.876 -6.823 1.00 23.05 H new ATOM 0 HG21 ILE A 63 -11.669 5.327 -9.121 1.00 10.53 H new ATOM 0 HG22 ILE A 63 -11.434 7.001 -9.679 1.00 10.53 H new ATOM 0 HG23 ILE A 63 -10.238 6.247 -8.599 1.00 10.53 H new ATOM 0 HD11 ILE A 63 -10.639 4.808 -5.185 1.00 11.04 H new ATOM 0 HD12 ILE A 63 -9.995 5.146 -6.810 1.00 11.04 H new ATOM 0 HD13 ILE A 63 -10.157 6.464 -5.625 1.00 11.04 H new ATOM 861 N VAL A 64 -10.646 9.426 -9.100 1.00 15.23 N ATOM 862 CA VAL A 64 -10.691 10.164 -10.378 1.00 30.42 C ATOM 863 C VAL A 64 -9.620 9.562 -11.306 1.00 11.14 C ATOM 864 O VAL A 64 -8.651 8.975 -10.815 1.00 50.04 O ATOM 865 CB VAL A 64 -10.421 11.715 -10.228 1.00 71.22 C ATOM 866 CG1 VAL A 64 -11.464 12.402 -9.365 1.00 44.14 C ATOM 867 CG2 VAL A 64 -9.028 11.985 -9.691 1.00 74.43 C ATOM 0 H VAL A 64 -9.710 9.127 -8.827 1.00 15.23 H new ATOM 0 HA VAL A 64 -11.699 10.063 -10.780 1.00 30.42 H new ATOM 0 HB VAL A 64 -10.494 12.139 -11.230 1.00 71.22 H new ATOM 0 HG11 VAL A 64 -11.234 13.465 -9.293 1.00 44.14 H new ATOM 0 HG12 VAL A 64 -12.449 12.274 -9.813 1.00 44.14 H new ATOM 0 HG13 VAL A 64 -11.459 11.961 -8.368 1.00 44.14 H new ATOM 0 HG21 VAL A 64 -8.875 13.060 -9.600 1.00 74.43 H new ATOM 0 HG22 VAL A 64 -8.919 11.519 -8.712 1.00 74.43 H new ATOM 0 HG23 VAL A 64 -8.288 11.570 -10.375 1.00 74.43 H new ATOM 877 N PRO A 65 -9.792 9.655 -12.638 1.00 11.43 N ATOM 878 CA PRO A 65 -8.810 9.127 -13.604 1.00 14.21 C ATOM 879 C PRO A 65 -7.441 9.845 -13.564 1.00 22.34 C ATOM 880 O PRO A 65 -7.331 11.040 -13.847 1.00 72.30 O ATOM 881 CB PRO A 65 -9.489 9.325 -14.966 1.00 23.04 C ATOM 882 CG PRO A 65 -10.504 10.387 -14.734 1.00 63.35 C ATOM 883 CD PRO A 65 -10.964 10.233 -13.314 1.00 41.53 C ATOM 0 HA PRO A 65 -8.567 8.089 -13.378 1.00 14.21 H new ATOM 0 HB2 PRO A 65 -8.769 9.626 -15.727 1.00 23.04 H new ATOM 0 HB3 PRO A 65 -9.954 8.403 -15.314 1.00 23.04 H new ATOM 0 HG2 PRO A 65 -10.076 11.376 -14.898 1.00 63.35 H new ATOM 0 HG3 PRO A 65 -11.340 10.283 -15.426 1.00 63.35 H new ATOM 0 HD2 PRO A 65 -11.248 11.190 -12.877 1.00 41.53 H new ATOM 0 HD3 PRO A 65 -11.833 9.579 -13.242 1.00 41.53 H new ATOM 891 N SER A 66 -6.424 9.100 -13.186 1.00 44.24 N ATOM 892 CA SER A 66 -5.061 9.573 -13.139 1.00 30.23 C ATOM 893 C SER A 66 -4.196 8.621 -13.961 1.00 3.22 C ATOM 894 O SER A 66 -4.000 7.474 -13.577 1.00 52.33 O ATOM 895 CB SER A 66 -4.570 9.636 -11.688 1.00 64.22 C ATOM 896 OG SER A 66 -3.233 10.100 -11.602 1.00 53.42 O ATOM 0 H SER A 66 -6.527 8.127 -12.897 1.00 44.24 H new ATOM 0 HA SER A 66 -4.998 10.579 -13.554 1.00 30.23 H new ATOM 0 HB2 SER A 66 -5.221 10.295 -11.113 1.00 64.22 H new ATOM 0 HB3 SER A 66 -4.640 8.646 -11.238 1.00 64.22 H new ATOM 0 HG SER A 66 -2.956 10.128 -10.662 1.00 53.42 H new ATOM 902 N GLU A 67 -3.669 9.100 -15.062 1.00 52.21 N ATOM 903 CA GLU A 67 -2.913 8.268 -15.998 1.00 34.01 C ATOM 904 C GLU A 67 -1.611 7.742 -15.390 1.00 22.25 C ATOM 905 O GLU A 67 -1.055 6.755 -15.859 1.00 12.23 O ATOM 906 CB GLU A 67 -2.585 9.054 -17.252 1.00 31.24 C ATOM 907 CG GLU A 67 -3.782 9.635 -17.958 1.00 74.03 C ATOM 908 CD GLU A 67 -3.385 10.314 -19.228 1.00 14.22 C ATOM 909 OE1 GLU A 67 -2.939 11.480 -19.175 1.00 2.42 O ATOM 910 OE2 GLU A 67 -3.480 9.683 -20.297 1.00 55.04 O ATOM 0 H GLU A 67 -3.746 10.077 -15.344 1.00 52.21 H new ATOM 0 HA GLU A 67 -3.545 7.414 -16.239 1.00 34.01 H new ATOM 0 HB2 GLU A 67 -1.905 9.865 -16.990 1.00 31.24 H new ATOM 0 HB3 GLU A 67 -2.052 8.403 -17.944 1.00 31.24 H new ATOM 0 HG2 GLU A 67 -4.499 8.843 -18.175 1.00 74.03 H new ATOM 0 HG3 GLU A 67 -4.283 10.348 -17.303 1.00 74.03 H new ATOM 917 N LYS A 68 -1.121 8.412 -14.377 1.00 21.32 N ATOM 918 CA LYS A 68 0.125 8.010 -13.732 1.00 64.52 C ATOM 919 C LYS A 68 -0.139 7.449 -12.338 1.00 52.43 C ATOM 920 O LYS A 68 0.793 7.264 -11.539 1.00 61.24 O ATOM 921 CB LYS A 68 1.162 9.183 -13.670 1.00 61.54 C ATOM 922 CG LYS A 68 1.725 9.662 -14.978 1.00 13.44 C ATOM 923 CD LYS A 68 0.677 10.351 -15.803 1.00 73.21 C ATOM 924 CE LYS A 68 1.280 10.990 -16.987 1.00 61.11 C ATOM 925 NZ LYS A 68 1.893 10.023 -17.922 1.00 34.03 N ATOM 0 H LYS A 68 -1.559 9.240 -13.974 1.00 21.32 H new ATOM 0 HA LYS A 68 0.563 7.223 -14.345 1.00 64.52 H new ATOM 0 HB2 LYS A 68 0.687 10.030 -13.175 1.00 61.54 H new ATOM 0 HB3 LYS A 68 1.993 8.869 -13.038 1.00 61.54 H new ATOM 0 HG2 LYS A 68 2.552 10.347 -14.791 1.00 13.44 H new ATOM 0 HG3 LYS A 68 2.130 8.816 -15.533 1.00 13.44 H new ATOM 0 HD2 LYS A 68 -0.077 9.630 -16.118 1.00 73.21 H new ATOM 0 HD3 LYS A 68 0.167 11.102 -15.199 1.00 73.21 H new ATOM 0 HE2 LYS A 68 0.514 11.560 -17.514 1.00 61.11 H new ATOM 0 HE3 LYS A 68 2.039 11.701 -16.661 1.00 61.11 H new ATOM 0 HZ1 LYS A 68 2.193 10.518 -18.786 1.00 34.03 H new ATOM 0 HZ2 LYS A 68 2.720 9.581 -17.472 1.00 34.03 H new ATOM 0 HZ3 LYS A 68 1.198 9.289 -18.167 1.00 34.03 H new ATOM 939 N GLY A 69 -1.391 7.133 -12.063 1.00 12.13 N ATOM 940 CA GLY A 69 -1.754 6.632 -10.762 1.00 14.21 C ATOM 941 C GLY A 69 -2.433 5.281 -10.826 1.00 4.23 C ATOM 942 O GLY A 69 -2.834 4.816 -11.914 1.00 33.43 O ATOM 0 H GLY A 69 -2.165 7.216 -12.722 1.00 12.13 H new ATOM 0 HA2 GLY A 69 -0.860 6.556 -10.144 1.00 14.21 H new ATOM 0 HA3 GLY A 69 -2.418 7.345 -10.275 1.00 14.21 H new ATOM 946 N GLU A 70 -2.553 4.653 -9.681 1.00 54.21 N ATOM 947 CA GLU A 70 -3.191 3.374 -9.533 1.00 74.12 C ATOM 948 C GLU A 70 -3.677 3.207 -8.090 1.00 42.14 C ATOM 949 O GLU A 70 -3.021 3.666 -7.144 1.00 10.44 O ATOM 950 CB GLU A 70 -2.267 2.192 -9.937 1.00 15.34 C ATOM 951 CG GLU A 70 -0.980 1.998 -9.101 1.00 72.25 C ATOM 952 CD GLU A 70 0.074 3.081 -9.295 1.00 20.03 C ATOM 953 OE1 GLU A 70 0.876 2.960 -10.250 1.00 45.24 O ATOM 954 OE2 GLU A 70 0.129 4.053 -8.487 1.00 42.05 O ATOM 0 H GLU A 70 -2.198 5.032 -8.803 1.00 54.21 H new ATOM 0 HA GLU A 70 -4.041 3.350 -10.215 1.00 74.12 H new ATOM 0 HB2 GLU A 70 -2.849 1.272 -9.884 1.00 15.34 H new ATOM 0 HB3 GLU A 70 -1.978 2.327 -10.979 1.00 15.34 H new ATOM 0 HG2 GLU A 70 -1.251 1.958 -8.046 1.00 72.25 H new ATOM 0 HG3 GLU A 70 -0.541 1.033 -9.354 1.00 72.25 H new ATOM 961 N VAL A 71 -4.811 2.575 -7.924 1.00 23.23 N ATOM 962 CA VAL A 71 -5.386 2.367 -6.609 1.00 60.40 C ATOM 963 C VAL A 71 -5.476 0.886 -6.308 1.00 2.01 C ATOM 964 O VAL A 71 -6.120 0.151 -7.036 1.00 44.15 O ATOM 965 CB VAL A 71 -6.823 2.963 -6.518 1.00 63.54 C ATOM 966 CG1 VAL A 71 -7.389 2.812 -5.110 1.00 11.00 C ATOM 967 CG2 VAL A 71 -6.836 4.412 -6.944 1.00 42.13 C ATOM 0 H VAL A 71 -5.364 2.190 -8.690 1.00 23.23 H new ATOM 0 HA VAL A 71 -4.738 2.868 -5.890 1.00 60.40 H new ATOM 0 HB VAL A 71 -7.460 2.402 -7.202 1.00 63.54 H new ATOM 0 HG11 VAL A 71 -8.393 3.236 -5.074 1.00 11.00 H new ATOM 0 HG12 VAL A 71 -7.432 1.755 -4.846 1.00 11.00 H new ATOM 0 HG13 VAL A 71 -6.748 3.337 -4.402 1.00 11.00 H new ATOM 0 HG21 VAL A 71 -7.851 4.804 -6.871 1.00 42.13 H new ATOM 0 HG22 VAL A 71 -6.177 4.988 -6.294 1.00 42.13 H new ATOM 0 HG23 VAL A 71 -6.490 4.491 -7.974 1.00 42.13 H new ATOM 977 N HIS A 72 -4.824 0.437 -5.260 1.00 23.03 N ATOM 978 CA HIS A 72 -4.987 -0.949 -4.851 1.00 40.20 C ATOM 979 C HIS A 72 -6.110 -0.977 -3.846 1.00 44.50 C ATOM 980 O HIS A 72 -5.993 -0.398 -2.761 1.00 5.30 O ATOM 981 CB HIS A 72 -3.692 -1.537 -4.227 1.00 65.33 C ATOM 982 CG HIS A 72 -2.505 -1.596 -5.161 1.00 14.41 C ATOM 983 ND1 HIS A 72 -1.828 -2.764 -5.478 1.00 73.40 N ATOM 984 CD2 HIS A 72 -1.861 -0.610 -5.829 1.00 74.22 C ATOM 985 CE1 HIS A 72 -0.833 -2.478 -6.290 1.00 62.22 C ATOM 986 NE2 HIS A 72 -0.832 -1.185 -6.516 1.00 33.32 N ATOM 0 H HIS A 72 -4.190 0.991 -4.684 1.00 23.03 H new ATOM 0 HA HIS A 72 -5.209 -1.564 -5.723 1.00 40.20 H new ATOM 0 HB2 HIS A 72 -3.422 -0.939 -3.357 1.00 65.33 H new ATOM 0 HB3 HIS A 72 -3.904 -2.544 -3.868 1.00 65.33 H new ATOM 0 HD1 HIS A 72 -2.064 -3.696 -5.136 1.00 73.40 H new ATOM 0 HD2 HIS A 72 -2.115 0.440 -5.820 1.00 74.22 H new ATOM 0 HE1 HIS A 72 -0.133 -3.189 -6.702 1.00 62.22 H new ATOM 995 N GLY A 73 -7.177 -1.627 -4.185 1.00 51.31 N ATOM 996 CA GLY A 73 -8.325 -1.634 -3.334 1.00 64.44 C ATOM 997 C GLY A 73 -9.016 -2.958 -3.343 1.00 3.22 C ATOM 998 O GLY A 73 -8.379 -4.002 -3.563 1.00 53.20 O ATOM 0 H GLY A 73 -7.278 -2.162 -5.048 1.00 51.31 H new ATOM 0 HA2 GLY A 73 -8.024 -1.389 -2.316 1.00 64.44 H new ATOM 0 HA3 GLY A 73 -9.021 -0.859 -3.656 1.00 64.44 H new ATOM 1002 N LYS A 74 -10.305 -2.942 -3.134 1.00 14.44 N ATOM 1003 CA LYS A 74 -11.050 -4.165 -3.028 1.00 34.04 C ATOM 1004 C LYS A 74 -12.217 -4.162 -4.011 1.00 54.41 C ATOM 1005 O LYS A 74 -12.842 -3.125 -4.248 1.00 62.45 O ATOM 1006 CB LYS A 74 -11.586 -4.330 -1.588 1.00 75.51 C ATOM 1007 CG LYS A 74 -10.529 -4.195 -0.478 1.00 52.13 C ATOM 1008 CD LYS A 74 -9.389 -5.199 -0.621 1.00 33.43 C ATOM 1009 CE LYS A 74 -8.339 -4.990 0.466 1.00 55.34 C ATOM 1010 NZ LYS A 74 -7.188 -5.915 0.322 1.00 74.20 N ATOM 0 H LYS A 74 -10.861 -2.093 -3.034 1.00 14.44 H new ATOM 0 HA LYS A 74 -10.389 -4.998 -3.266 1.00 34.04 H new ATOM 0 HB2 LYS A 74 -12.364 -3.586 -1.419 1.00 75.51 H new ATOM 0 HB3 LYS A 74 -12.057 -5.309 -1.502 1.00 75.51 H new ATOM 0 HG2 LYS A 74 -10.121 -3.184 -0.492 1.00 52.13 H new ATOM 0 HG3 LYS A 74 -11.008 -4.332 0.492 1.00 52.13 H new ATOM 0 HD2 LYS A 74 -9.783 -6.214 -0.561 1.00 33.43 H new ATOM 0 HD3 LYS A 74 -8.928 -5.094 -1.603 1.00 33.43 H new ATOM 0 HE2 LYS A 74 -7.982 -3.961 0.430 1.00 55.34 H new ATOM 0 HE3 LYS A 74 -8.798 -5.134 1.444 1.00 55.34 H new ATOM 0 HZ1 LYS A 74 -7.053 -6.442 1.208 1.00 74.20 H new ATOM 0 HZ2 LYS A 74 -7.374 -6.583 -0.453 1.00 74.20 H new ATOM 0 HZ3 LYS A 74 -6.328 -5.369 0.110 1.00 74.20 H new ATOM 1024 N VAL A 75 -12.475 -5.300 -4.595 1.00 54.51 N ATOM 1025 CA VAL A 75 -13.594 -5.488 -5.477 1.00 75.24 C ATOM 1026 C VAL A 75 -14.632 -6.407 -4.845 1.00 53.54 C ATOM 1027 O VAL A 75 -14.294 -7.480 -4.354 1.00 42.14 O ATOM 1028 CB VAL A 75 -13.133 -6.095 -6.820 1.00 54.13 C ATOM 1029 CG1 VAL A 75 -14.321 -6.512 -7.657 1.00 63.52 C ATOM 1030 CG2 VAL A 75 -12.277 -5.108 -7.579 1.00 54.31 C ATOM 0 H VAL A 75 -11.904 -6.136 -4.469 1.00 54.51 H new ATOM 0 HA VAL A 75 -14.041 -4.510 -5.656 1.00 75.24 H new ATOM 0 HB VAL A 75 -12.537 -6.982 -6.606 1.00 54.13 H new ATOM 0 HG11 VAL A 75 -13.972 -6.937 -8.598 1.00 63.52 H new ATOM 0 HG12 VAL A 75 -14.903 -7.258 -7.116 1.00 63.52 H new ATOM 0 HG13 VAL A 75 -14.946 -5.642 -7.861 1.00 63.52 H new ATOM 0 HG21 VAL A 75 -11.960 -5.552 -8.523 1.00 54.31 H new ATOM 0 HG22 VAL A 75 -12.853 -4.204 -7.778 1.00 54.31 H new ATOM 0 HG23 VAL A 75 -11.399 -4.855 -6.984 1.00 54.31 H new ATOM 1040 N LEU A 76 -15.876 -5.978 -4.875 1.00 30.32 N ATOM 1041 CA LEU A 76 -16.986 -6.751 -4.365 1.00 75.41 C ATOM 1042 C LEU A 76 -17.626 -7.509 -5.514 1.00 63.42 C ATOM 1043 O LEU A 76 -18.290 -6.910 -6.359 1.00 72.40 O ATOM 1044 CB LEU A 76 -18.055 -5.837 -3.739 1.00 73.31 C ATOM 1045 CG LEU A 76 -17.612 -4.904 -2.613 1.00 71.42 C ATOM 1046 CD1 LEU A 76 -18.800 -4.140 -2.056 1.00 72.41 C ATOM 1047 CD2 LEU A 76 -16.917 -5.676 -1.523 1.00 75.13 C ATOM 0 H LEU A 76 -16.147 -5.073 -5.259 1.00 30.32 H new ATOM 0 HA LEU A 76 -16.609 -7.433 -3.603 1.00 75.41 H new ATOM 0 HB2 LEU A 76 -18.483 -5.226 -4.534 1.00 73.31 H new ATOM 0 HB3 LEU A 76 -18.856 -6.469 -3.357 1.00 73.31 H new ATOM 0 HG LEU A 76 -16.903 -4.185 -3.023 1.00 71.42 H new ATOM 0 HD11 LEU A 76 -18.465 -3.481 -1.255 1.00 72.41 H new ATOM 0 HD12 LEU A 76 -19.255 -3.546 -2.849 1.00 72.41 H new ATOM 0 HD13 LEU A 76 -19.534 -4.844 -1.664 1.00 72.41 H new ATOM 0 HD21 LEU A 76 -16.610 -4.992 -0.732 1.00 75.13 H new ATOM 0 HD22 LEU A 76 -17.599 -6.422 -1.114 1.00 75.13 H new ATOM 0 HD23 LEU A 76 -16.038 -6.174 -1.933 1.00 75.13 H new ATOM 1059 N MET A 77 -17.376 -8.788 -5.579 1.00 13.12 N ATOM 1060 CA MET A 77 -17.945 -9.640 -6.561 1.00 33.03 C ATOM 1061 C MET A 77 -19.064 -10.423 -5.919 1.00 55.22 C ATOM 1062 O MET A 77 -19.115 -10.541 -4.708 1.00 52.31 O ATOM 1063 CB MET A 77 -16.895 -10.610 -7.022 1.00 15.35 C ATOM 1064 CG MET A 77 -15.619 -9.951 -7.494 1.00 63.21 C ATOM 1065 SD MET A 77 -14.416 -11.132 -8.089 1.00 34.33 S ATOM 1066 CE MET A 77 -15.421 -11.922 -9.307 1.00 52.40 C ATOM 0 H MET A 77 -16.754 -9.269 -4.929 1.00 13.12 H new ATOM 0 HA MET A 77 -18.317 -9.055 -7.402 1.00 33.03 H new ATOM 0 HB2 MET A 77 -16.660 -11.292 -6.205 1.00 15.35 H new ATOM 0 HB3 MET A 77 -17.303 -11.214 -7.833 1.00 15.35 H new ATOM 0 HG2 MET A 77 -15.852 -9.243 -8.290 1.00 63.21 H new ATOM 0 HG3 MET A 77 -15.186 -9.378 -6.674 1.00 63.21 H new ATOM 0 HE1 MET A 77 -14.788 -12.313 -10.103 1.00 52.40 H new ATOM 0 HE2 MET A 77 -15.974 -12.741 -8.847 1.00 52.40 H new ATOM 0 HE3 MET A 77 -16.123 -11.200 -9.724 1.00 52.40 H new ATOM 1076 N GLY A 78 -19.945 -10.967 -6.708 1.00 35.44 N ATOM 1077 CA GLY A 78 -21.020 -11.736 -6.139 1.00 73.40 C ATOM 1078 C GLY A 78 -22.134 -10.865 -5.575 1.00 12.20 C ATOM 1079 O GLY A 78 -22.955 -11.332 -4.775 1.00 62.12 O ATOM 0 H GLY A 78 -19.945 -10.897 -7.726 1.00 35.44 H new ATOM 0 HA2 GLY A 78 -21.432 -12.396 -6.902 1.00 73.40 H new ATOM 0 HA3 GLY A 78 -20.626 -12.372 -5.347 1.00 73.40 H new ATOM 1083 N VAL A 79 -22.161 -9.605 -5.971 1.00 32.32 N ATOM 1084 CA VAL A 79 -23.205 -8.700 -5.519 1.00 41.22 C ATOM 1085 C VAL A 79 -24.359 -8.743 -6.542 1.00 45.43 C ATOM 1086 O VAL A 79 -24.111 -8.753 -7.752 1.00 55.00 O ATOM 1087 CB VAL A 79 -22.652 -7.236 -5.322 1.00 33.25 C ATOM 1088 CG1 VAL A 79 -22.243 -6.573 -6.616 1.00 64.12 C ATOM 1089 CG2 VAL A 79 -23.614 -6.372 -4.551 1.00 2.44 C ATOM 0 H VAL A 79 -21.477 -9.186 -6.601 1.00 32.32 H new ATOM 0 HA VAL A 79 -23.573 -9.019 -4.544 1.00 41.22 H new ATOM 0 HB VAL A 79 -21.744 -7.343 -4.729 1.00 33.25 H new ATOM 0 HG11 VAL A 79 -21.872 -5.569 -6.409 1.00 64.12 H new ATOM 0 HG12 VAL A 79 -21.457 -7.159 -7.093 1.00 64.12 H new ATOM 0 HG13 VAL A 79 -23.104 -6.512 -7.281 1.00 64.12 H new ATOM 0 HG21 VAL A 79 -23.195 -5.372 -4.438 1.00 2.44 H new ATOM 0 HG22 VAL A 79 -24.559 -6.310 -5.090 1.00 2.44 H new ATOM 0 HG23 VAL A 79 -23.785 -6.807 -3.567 1.00 2.44 H new ATOM 1099 N THR A 80 -25.596 -8.807 -6.081 1.00 2.11 N ATOM 1100 CA THR A 80 -26.712 -8.928 -7.010 1.00 50.42 C ATOM 1101 C THR A 80 -27.068 -7.585 -7.646 1.00 54.32 C ATOM 1102 O THR A 80 -26.587 -6.532 -7.217 1.00 41.10 O ATOM 1103 CB THR A 80 -27.975 -9.560 -6.359 1.00 14.33 C ATOM 1104 OG1 THR A 80 -28.431 -8.760 -5.263 1.00 72.24 O ATOM 1105 CG2 THR A 80 -27.689 -10.972 -5.871 1.00 54.45 C ATOM 0 H THR A 80 -25.853 -8.778 -5.094 1.00 2.11 H new ATOM 0 HA THR A 80 -26.371 -9.607 -7.792 1.00 50.42 H new ATOM 0 HB THR A 80 -28.753 -9.602 -7.121 1.00 14.33 H new ATOM 0 HG1 THR A 80 -27.892 -8.956 -4.468 1.00 72.24 H new ATOM 0 HG21 THR A 80 -28.589 -11.390 -5.420 1.00 54.45 H new ATOM 0 HG22 THR A 80 -27.383 -11.593 -6.713 1.00 54.45 H new ATOM 0 HG23 THR A 80 -26.890 -10.946 -5.130 1.00 54.45 H new ATOM 1113 N SER A 81 -27.896 -7.627 -8.665 1.00 2.12 N ATOM 1114 CA SER A 81 -28.335 -6.422 -9.364 1.00 63.34 C ATOM 1115 C SER A 81 -29.135 -5.480 -8.443 1.00 43.13 C ATOM 1116 O SER A 81 -29.039 -4.260 -8.563 1.00 32.04 O ATOM 1117 CB SER A 81 -29.146 -6.801 -10.593 1.00 73.01 C ATOM 1118 OG SER A 81 -28.373 -7.626 -11.461 1.00 21.32 O ATOM 0 H SER A 81 -28.288 -8.491 -9.038 1.00 2.12 H new ATOM 0 HA SER A 81 -27.447 -5.875 -9.680 1.00 63.34 H new ATOM 0 HB2 SER A 81 -30.052 -7.327 -10.291 1.00 73.01 H new ATOM 0 HB3 SER A 81 -29.461 -5.901 -11.121 1.00 73.01 H new ATOM 0 HG SER A 81 -27.424 -7.541 -11.233 1.00 21.32 H new ATOM 1124 N ASP A 82 -29.883 -6.057 -7.511 1.00 62.11 N ATOM 1125 CA ASP A 82 -30.676 -5.279 -6.543 1.00 52.41 C ATOM 1126 C ASP A 82 -29.764 -4.471 -5.637 1.00 41.10 C ATOM 1127 O ASP A 82 -30.039 -3.323 -5.300 1.00 15.41 O ATOM 1128 CB ASP A 82 -31.556 -6.210 -5.701 1.00 70.15 C ATOM 1129 CG ASP A 82 -32.320 -5.476 -4.622 1.00 31.11 C ATOM 1130 OD1 ASP A 82 -33.259 -4.720 -4.959 1.00 12.11 O ATOM 1131 OD2 ASP A 82 -31.980 -5.626 -3.422 1.00 35.04 O ATOM 0 H ASP A 82 -29.963 -7.068 -7.398 1.00 62.11 H new ATOM 0 HA ASP A 82 -31.317 -4.594 -7.098 1.00 52.41 H new ATOM 0 HB2 ASP A 82 -32.261 -6.724 -6.354 1.00 70.15 H new ATOM 0 HB3 ASP A 82 -30.931 -6.975 -5.241 1.00 70.15 H new ATOM 1136 N GLU A 83 -28.686 -5.076 -5.270 1.00 54.22 N ATOM 1137 CA GLU A 83 -27.692 -4.454 -4.438 1.00 31.34 C ATOM 1138 C GLU A 83 -26.839 -3.506 -5.290 1.00 15.33 C ATOM 1139 O GLU A 83 -26.325 -2.526 -4.796 1.00 14.40 O ATOM 1140 CB GLU A 83 -26.853 -5.548 -3.830 1.00 34.01 C ATOM 1141 CG GLU A 83 -27.672 -6.538 -3.033 1.00 52.55 C ATOM 1142 CD GLU A 83 -26.883 -7.728 -2.575 1.00 63.21 C ATOM 1143 OE1 GLU A 83 -26.562 -8.593 -3.425 1.00 2.42 O ATOM 1144 OE2 GLU A 83 -26.621 -7.854 -1.365 1.00 3.05 O ATOM 0 H GLU A 83 -28.459 -6.033 -5.540 1.00 54.22 H new ATOM 0 HA GLU A 83 -28.151 -3.866 -3.643 1.00 31.34 H new ATOM 0 HB2 GLU A 83 -26.323 -6.076 -4.622 1.00 34.01 H new ATOM 0 HB3 GLU A 83 -26.097 -5.103 -3.182 1.00 34.01 H new ATOM 0 HG2 GLU A 83 -28.093 -6.034 -2.163 1.00 52.55 H new ATOM 0 HG3 GLU A 83 -28.510 -6.879 -3.641 1.00 52.55 H new ATOM 1151 N LEU A 84 -26.706 -3.807 -6.586 1.00 3.41 N ATOM 1152 CA LEU A 84 -25.988 -2.919 -7.496 1.00 40.12 C ATOM 1153 C LEU A 84 -26.738 -1.617 -7.641 1.00 3.53 C ATOM 1154 O LEU A 84 -26.160 -0.559 -7.494 1.00 54.34 O ATOM 1155 CB LEU A 84 -25.785 -3.519 -8.887 1.00 33.33 C ATOM 1156 CG LEU A 84 -25.047 -2.588 -9.873 1.00 30.32 C ATOM 1157 CD1 LEU A 84 -23.600 -2.372 -9.465 1.00 52.54 C ATOM 1158 CD2 LEU A 84 -25.156 -3.074 -11.296 1.00 63.45 C ATOM 0 H LEU A 84 -27.082 -4.649 -7.021 1.00 3.41 H new ATOM 0 HA LEU A 84 -25.004 -2.760 -7.056 1.00 40.12 H new ATOM 0 HB2 LEU A 84 -25.223 -4.448 -8.792 1.00 33.33 H new ATOM 0 HB3 LEU A 84 -26.758 -3.776 -9.306 1.00 33.33 H new ATOM 0 HG LEU A 84 -25.545 -1.619 -9.828 1.00 30.32 H new ATOM 0 HD11 LEU A 84 -23.114 -1.712 -10.183 1.00 52.54 H new ATOM 0 HD12 LEU A 84 -23.565 -1.919 -8.474 1.00 52.54 H new ATOM 0 HD13 LEU A 84 -23.081 -3.330 -9.444 1.00 52.54 H new ATOM 0 HD21 LEU A 84 -24.623 -2.390 -11.956 1.00 63.45 H new ATOM 0 HD22 LEU A 84 -24.719 -4.069 -11.375 1.00 63.45 H new ATOM 0 HD23 LEU A 84 -26.206 -3.115 -11.587 1.00 63.45 H new ATOM 1170 N GLU A 85 -28.045 -1.706 -7.930 1.00 10.13 N ATOM 1171 CA GLU A 85 -28.879 -0.512 -8.059 1.00 61.12 C ATOM 1172 C GLU A 85 -28.903 0.236 -6.731 1.00 30.41 C ATOM 1173 O GLU A 85 -29.041 1.435 -6.687 1.00 54.14 O ATOM 1174 CB GLU A 85 -30.308 -0.838 -8.548 1.00 1.14 C ATOM 1175 CG GLU A 85 -31.131 -1.690 -7.614 1.00 33.13 C ATOM 1176 CD GLU A 85 -32.528 -1.914 -8.120 1.00 32.22 C ATOM 1177 OE1 GLU A 85 -32.756 -2.887 -8.861 1.00 73.11 O ATOM 1178 OE2 GLU A 85 -33.432 -1.107 -7.791 1.00 53.31 O ATOM 0 H GLU A 85 -28.539 -2.586 -8.077 1.00 10.13 H new ATOM 0 HA GLU A 85 -28.438 0.127 -8.824 1.00 61.12 H new ATOM 0 HB2 GLU A 85 -30.838 0.099 -8.720 1.00 1.14 H new ATOM 0 HB3 GLU A 85 -30.238 -1.346 -9.510 1.00 1.14 H new ATOM 0 HG2 GLU A 85 -30.639 -2.653 -7.477 1.00 33.13 H new ATOM 0 HG3 GLU A 85 -31.175 -1.212 -6.635 1.00 33.13 H new ATOM 1185 N ASN A 86 -28.747 -0.516 -5.662 1.00 10.23 N ATOM 1186 CA ASN A 86 -28.660 0.012 -4.318 1.00 0.04 C ATOM 1187 C ASN A 86 -27.403 0.851 -4.155 1.00 62.54 C ATOM 1188 O ASN A 86 -27.462 1.971 -3.684 1.00 12.04 O ATOM 1189 CB ASN A 86 -28.661 -1.152 -3.347 1.00 22.53 C ATOM 1190 CG ASN A 86 -28.265 -0.801 -1.963 1.00 20.30 C ATOM 1191 OD1 ASN A 86 -27.119 -0.891 -1.622 1.00 3.24 O ATOM 1192 ND2 ASN A 86 -29.180 -0.376 -1.179 1.00 34.33 N ATOM 0 H ASN A 86 -28.676 -1.533 -5.705 1.00 10.23 H new ATOM 0 HA ASN A 86 -29.514 0.659 -4.116 1.00 0.04 H new ATOM 0 HB2 ASN A 86 -29.659 -1.589 -3.325 1.00 22.53 H new ATOM 0 HB3 ASN A 86 -27.984 -1.920 -3.721 1.00 22.53 H new ATOM 0 HD21 ASN A 86 -28.946 -0.099 -0.226 1.00 34.33 H new ATOM 0 HD22 ASN A 86 -30.144 -0.314 -1.507 1.00 34.33 H new ATOM 1199 N LEU A 87 -26.279 0.304 -4.574 1.00 45.53 N ATOM 1200 CA LEU A 87 -24.994 0.998 -4.527 1.00 60.15 C ATOM 1201 C LEU A 87 -25.027 2.195 -5.457 1.00 22.10 C ATOM 1202 O LEU A 87 -24.523 3.289 -5.138 1.00 21.14 O ATOM 1203 CB LEU A 87 -23.862 0.046 -4.930 1.00 24.31 C ATOM 1204 CG LEU A 87 -23.681 -1.186 -4.042 1.00 73.44 C ATOM 1205 CD1 LEU A 87 -22.573 -2.075 -4.584 1.00 21.55 C ATOM 1206 CD2 LEU A 87 -23.378 -0.776 -2.603 1.00 12.01 C ATOM 0 H LEU A 87 -26.224 -0.639 -4.960 1.00 45.53 H new ATOM 0 HA LEU A 87 -24.812 1.342 -3.509 1.00 60.15 H new ATOM 0 HB2 LEU A 87 -24.041 -0.289 -5.952 1.00 24.31 H new ATOM 0 HB3 LEU A 87 -22.927 0.606 -4.937 1.00 24.31 H new ATOM 0 HG LEU A 87 -24.614 -1.750 -4.048 1.00 73.44 H new ATOM 0 HD11 LEU A 87 -22.458 -2.947 -3.940 1.00 21.55 H new ATOM 0 HD12 LEU A 87 -22.828 -2.400 -5.593 1.00 21.55 H new ATOM 0 HD13 LEU A 87 -21.637 -1.516 -4.609 1.00 21.55 H new ATOM 0 HD21 LEU A 87 -23.253 -1.668 -1.989 1.00 12.01 H new ATOM 0 HD22 LEU A 87 -22.461 -0.187 -2.578 1.00 12.01 H new ATOM 0 HD23 LEU A 87 -24.203 -0.180 -2.213 1.00 12.01 H new ATOM 1218 N ASP A 88 -25.665 1.983 -6.587 1.00 1.21 N ATOM 1219 CA ASP A 88 -25.843 2.986 -7.622 1.00 51.40 C ATOM 1220 C ASP A 88 -26.716 4.119 -7.096 1.00 73.55 C ATOM 1221 O ASP A 88 -26.590 5.268 -7.501 1.00 33.04 O ATOM 1222 CB ASP A 88 -26.489 2.323 -8.835 1.00 73.02 C ATOM 1223 CG ASP A 88 -26.598 3.216 -10.029 1.00 61.02 C ATOM 1224 OD1 ASP A 88 -25.594 3.357 -10.748 1.00 32.25 O ATOM 1225 OD2 ASP A 88 -27.697 3.742 -10.302 1.00 14.35 O ATOM 0 H ASP A 88 -26.087 1.084 -6.821 1.00 1.21 H new ATOM 0 HA ASP A 88 -24.880 3.407 -7.912 1.00 51.40 H new ATOM 0 HB2 ASP A 88 -25.909 1.440 -9.106 1.00 73.02 H new ATOM 0 HB3 ASP A 88 -27.486 1.978 -8.560 1.00 73.02 H new ATOM 1230 N ALA A 89 -27.617 3.767 -6.219 1.00 40.11 N ATOM 1231 CA ALA A 89 -28.451 4.714 -5.531 1.00 4.45 C ATOM 1232 C ALA A 89 -27.687 5.421 -4.401 1.00 64.51 C ATOM 1233 O ALA A 89 -27.723 6.629 -4.293 1.00 63.41 O ATOM 1234 CB ALA A 89 -29.676 4.013 -4.970 1.00 41.33 C ATOM 0 H ALA A 89 -27.795 2.797 -5.958 1.00 40.11 H new ATOM 0 HA ALA A 89 -28.762 5.472 -6.250 1.00 4.45 H new ATOM 0 HB1 ALA A 89 -30.303 4.737 -4.450 1.00 41.33 H new ATOM 0 HB2 ALA A 89 -30.242 3.562 -5.785 1.00 41.33 H new ATOM 0 HB3 ALA A 89 -29.363 3.237 -4.272 1.00 41.33 H new ATOM 1240 N VAL A 90 -26.993 4.653 -3.566 1.00 73.13 N ATOM 1241 CA VAL A 90 -26.352 5.221 -2.377 1.00 55.20 C ATOM 1242 C VAL A 90 -25.100 6.092 -2.689 1.00 12.35 C ATOM 1243 O VAL A 90 -25.096 7.284 -2.372 1.00 45.34 O ATOM 1244 CB VAL A 90 -26.082 4.122 -1.271 1.00 1.01 C ATOM 1245 CG1 VAL A 90 -25.231 2.997 -1.780 1.00 62.21 C ATOM 1246 CG2 VAL A 90 -25.500 4.706 0.004 1.00 11.14 C ATOM 0 H VAL A 90 -26.859 3.649 -3.685 1.00 73.13 H new ATOM 0 HA VAL A 90 -27.073 5.922 -1.957 1.00 55.20 H new ATOM 0 HB VAL A 90 -27.060 3.710 -1.022 1.00 1.01 H new ATOM 0 HG11 VAL A 90 -25.075 2.270 -0.983 1.00 62.21 H new ATOM 0 HG12 VAL A 90 -25.731 2.514 -2.620 1.00 62.21 H new ATOM 0 HG13 VAL A 90 -24.268 3.389 -2.107 1.00 62.21 H new ATOM 0 HG21 VAL A 90 -25.335 3.908 0.728 1.00 11.14 H new ATOM 0 HG22 VAL A 90 -24.552 5.195 -0.219 1.00 11.14 H new ATOM 0 HG23 VAL A 90 -26.195 5.435 0.420 1.00 11.14 H new ATOM 1256 N GLU A 91 -24.076 5.541 -3.326 1.00 1.40 N ATOM 1257 CA GLU A 91 -22.926 6.375 -3.715 1.00 73.34 C ATOM 1258 C GLU A 91 -23.222 7.141 -4.980 1.00 74.40 C ATOM 1259 O GLU A 91 -22.802 8.277 -5.154 1.00 44.44 O ATOM 1260 CB GLU A 91 -21.592 5.604 -3.813 1.00 72.43 C ATOM 1261 CG GLU A 91 -21.115 5.050 -2.475 1.00 22.53 C ATOM 1262 CD GLU A 91 -19.718 4.455 -2.526 1.00 63.42 C ATOM 1263 OE1 GLU A 91 -19.563 3.311 -2.961 1.00 73.04 O ATOM 1264 OE2 GLU A 91 -18.752 5.140 -2.098 1.00 41.24 O ATOM 0 H GLU A 91 -24.008 4.556 -3.582 1.00 1.40 H new ATOM 0 HA GLU A 91 -22.782 7.086 -2.901 1.00 73.34 H new ATOM 0 HB2 GLU A 91 -21.707 4.781 -4.519 1.00 72.43 H new ATOM 0 HB3 GLU A 91 -20.827 6.266 -4.218 1.00 72.43 H new ATOM 0 HG2 GLU A 91 -21.134 5.848 -1.733 1.00 22.53 H new ATOM 0 HG3 GLU A 91 -21.815 4.285 -2.138 1.00 22.53 H new ATOM 1271 N GLY A 92 -24.005 6.518 -5.832 1.00 0.45 N ATOM 1272 CA GLY A 92 -24.353 7.051 -7.142 1.00 71.42 C ATOM 1273 C GLY A 92 -25.024 8.427 -7.138 1.00 74.44 C ATOM 1274 O GLY A 92 -25.137 9.054 -8.180 1.00 21.53 O ATOM 0 H GLY A 92 -24.428 5.611 -5.636 1.00 0.45 H new ATOM 0 HA2 GLY A 92 -23.446 7.111 -7.743 1.00 71.42 H new ATOM 0 HA3 GLY A 92 -25.018 6.344 -7.638 1.00 71.42 H new ATOM 1278 N ASN A 93 -25.527 8.870 -6.010 1.00 23.45 N ATOM 1279 CA ASN A 93 -26.111 10.209 -5.953 1.00 50.05 C ATOM 1280 C ASN A 93 -25.040 11.284 -5.892 1.00 64.33 C ATOM 1281 O ASN A 93 -25.269 12.417 -6.300 1.00 54.24 O ATOM 1282 CB ASN A 93 -27.117 10.384 -4.801 1.00 65.44 C ATOM 1283 CG ASN A 93 -28.384 9.540 -4.937 1.00 14.25 C ATOM 1284 OD1 ASN A 93 -28.813 9.258 -6.157 1.00 43.33 O flip ATOM 1285 ND2 ASN A 93 -28.984 9.157 -3.938 1.00 61.52 N flip ATOM 0 H ASN A 93 -25.549 8.347 -5.135 1.00 23.45 H new ATOM 0 HA ASN A 93 -26.670 10.326 -6.881 1.00 50.05 H new ATOM 0 HB2 ASN A 93 -26.624 10.130 -3.863 1.00 65.44 H new ATOM 0 HB3 ASN A 93 -27.400 11.435 -4.738 1.00 65.44 H new ATOM 0 HD21 ASN A 93 -28.630 9.389 -3.010 1.00 61.52 H new ATOM 0 HD22 ASN A 93 -29.837 8.606 -4.035 1.00 61.52 H new ATOM 1292 N GLU A 94 -23.866 10.921 -5.405 1.00 14.12 N ATOM 1293 CA GLU A 94 -22.767 11.875 -5.248 1.00 31.24 C ATOM 1294 C GLU A 94 -21.639 11.559 -6.244 1.00 14.22 C ATOM 1295 O GLU A 94 -20.720 12.352 -6.445 1.00 73.03 O ATOM 1296 CB GLU A 94 -22.224 11.772 -3.816 1.00 42.23 C ATOM 1297 CG GLU A 94 -23.285 11.948 -2.737 1.00 14.33 C ATOM 1298 CD GLU A 94 -22.743 11.779 -1.338 1.00 20.55 C ATOM 1299 OE1 GLU A 94 -22.559 10.629 -0.894 1.00 31.33 O ATOM 1300 OE2 GLU A 94 -22.533 12.794 -0.642 1.00 61.13 O ATOM 0 H GLU A 94 -23.643 9.971 -5.109 1.00 14.12 H new ATOM 0 HA GLU A 94 -23.134 12.883 -5.442 1.00 31.24 H new ATOM 0 HB2 GLU A 94 -21.748 10.800 -3.688 1.00 42.23 H new ATOM 0 HB3 GLU A 94 -21.450 12.527 -3.677 1.00 42.23 H new ATOM 0 HG2 GLU A 94 -23.729 12.939 -2.831 1.00 14.33 H new ATOM 0 HG3 GLU A 94 -24.084 11.225 -2.900 1.00 14.33 H new ATOM 1307 N TYR A 95 -21.739 10.403 -6.860 1.00 74.12 N ATOM 1308 CA TYR A 95 -20.710 9.860 -7.731 1.00 52.11 C ATOM 1309 C TYR A 95 -21.324 9.320 -8.997 1.00 53.32 C ATOM 1310 O TYR A 95 -22.541 9.237 -9.110 1.00 10.11 O ATOM 1311 CB TYR A 95 -19.958 8.733 -7.033 1.00 61.43 C ATOM 1312 CG TYR A 95 -19.236 9.137 -5.784 1.00 44.32 C ATOM 1313 CD1 TYR A 95 -17.940 9.607 -5.837 1.00 32.44 C ATOM 1314 CD2 TYR A 95 -19.850 9.032 -4.551 1.00 74.05 C ATOM 1315 CE1 TYR A 95 -17.273 9.966 -4.682 1.00 60.32 C ATOM 1316 CE2 TYR A 95 -19.200 9.383 -3.399 1.00 43.32 C ATOM 1317 CZ TYR A 95 -17.913 9.848 -3.464 1.00 41.20 C ATOM 1318 OH TYR A 95 -17.259 10.189 -2.310 1.00 41.14 O ATOM 0 H TYR A 95 -22.555 9.797 -6.770 1.00 74.12 H new ATOM 0 HA TYR A 95 -20.017 10.666 -7.973 1.00 52.11 H new ATOM 0 HB2 TYR A 95 -20.666 7.941 -6.787 1.00 61.43 H new ATOM 0 HB3 TYR A 95 -19.237 8.310 -7.732 1.00 61.43 H new ATOM 0 HD1 TYR A 95 -17.442 9.695 -6.791 1.00 32.44 H new ATOM 0 HD2 TYR A 95 -20.864 8.665 -4.495 1.00 74.05 H new ATOM 0 HE1 TYR A 95 -16.259 10.336 -4.731 1.00 60.32 H new ATOM 0 HE2 TYR A 95 -19.698 9.294 -2.445 1.00 43.32 H new ATOM 0 HH TYR A 95 -17.692 10.971 -1.908 1.00 41.14 H new ATOM 1328 N GLU A 96 -20.494 8.969 -9.947 1.00 5.33 N ATOM 1329 CA GLU A 96 -20.970 8.396 -11.179 1.00 34.42 C ATOM 1330 C GLU A 96 -20.335 7.036 -11.347 1.00 31.03 C ATOM 1331 O GLU A 96 -19.139 6.853 -11.058 1.00 41.24 O ATOM 1332 CB GLU A 96 -20.625 9.292 -12.378 1.00 42.35 C ATOM 1333 CG GLU A 96 -21.124 8.756 -13.712 1.00 54.32 C ATOM 1334 CD GLU A 96 -20.798 9.660 -14.868 1.00 34.44 C ATOM 1335 OE1 GLU A 96 -21.551 10.630 -15.100 1.00 41.52 O ATOM 1336 OE2 GLU A 96 -19.794 9.416 -15.571 1.00 51.03 O ATOM 0 H GLU A 96 -19.481 9.071 -9.889 1.00 5.33 H new ATOM 0 HA GLU A 96 -22.056 8.306 -11.139 1.00 34.42 H new ATOM 0 HB2 GLU A 96 -21.050 10.282 -12.213 1.00 42.35 H new ATOM 0 HB3 GLU A 96 -19.543 9.414 -12.428 1.00 42.35 H new ATOM 0 HG2 GLU A 96 -20.684 7.775 -13.890 1.00 54.32 H new ATOM 0 HG3 GLU A 96 -22.204 8.617 -13.660 1.00 54.32 H new ATOM 1343 N ARG A 97 -21.132 6.090 -11.783 1.00 21.55 N ATOM 1344 CA ARG A 97 -20.699 4.732 -11.932 1.00 1.05 C ATOM 1345 C ARG A 97 -20.091 4.564 -13.299 1.00 73.25 C ATOM 1346 O ARG A 97 -20.757 4.780 -14.311 1.00 23.02 O ATOM 1347 CB ARG A 97 -21.891 3.802 -11.824 1.00 4.41 C ATOM 1348 CG ARG A 97 -21.533 2.336 -11.696 1.00 23.11 C ATOM 1349 CD ARG A 97 -22.758 1.470 -11.885 1.00 14.13 C ATOM 1350 NE ARG A 97 -23.160 1.415 -13.299 1.00 31.11 N ATOM 1351 CZ ARG A 97 -24.412 1.501 -13.767 1.00 70.11 C ATOM 1352 NH1 ARG A 97 -25.394 1.961 -12.997 1.00 33.01 N ATOM 1353 NH2 ARG A 97 -24.655 1.209 -15.042 1.00 30.23 N ATOM 0 H ARG A 97 -22.105 6.248 -12.045 1.00 21.55 H new ATOM 0 HA ARG A 97 -19.972 4.496 -11.154 1.00 1.05 H new ATOM 0 HB2 ARG A 97 -22.487 4.094 -10.960 1.00 4.41 H new ATOM 0 HB3 ARG A 97 -22.520 3.934 -12.704 1.00 4.41 H new ATOM 0 HG2 ARG A 97 -20.778 2.074 -12.438 1.00 23.11 H new ATOM 0 HG3 ARG A 97 -21.095 2.147 -10.716 1.00 23.11 H new ATOM 0 HD2 ARG A 97 -22.553 0.462 -11.523 1.00 14.13 H new ATOM 0 HD3 ARG A 97 -23.580 1.863 -11.286 1.00 14.13 H new ATOM 0 HE ARG A 97 -22.416 1.301 -13.987 1.00 31.11 H new ATOM 0 HH11 ARG A 97 -25.197 2.253 -12.040 1.00 33.01 H new ATOM 0 HH12 ARG A 97 -26.344 2.022 -13.364 1.00 33.01 H new ATOM 0 HH21 ARG A 97 -23.891 0.922 -15.654 1.00 30.23 H new ATOM 0 HH22 ARG A 97 -25.605 1.272 -15.407 1.00 30.23 H new ATOM 1367 N VAL A 98 -18.852 4.206 -13.342 1.00 71.33 N ATOM 1368 CA VAL A 98 -18.189 3.983 -14.592 1.00 73.25 C ATOM 1369 C VAL A 98 -17.600 2.609 -14.688 1.00 31.35 C ATOM 1370 O VAL A 98 -17.414 1.917 -13.671 1.00 75.42 O ATOM 1371 CB VAL A 98 -17.145 5.050 -14.945 1.00 63.53 C ATOM 1372 CG1 VAL A 98 -17.840 6.372 -15.223 1.00 50.45 C ATOM 1373 CG2 VAL A 98 -16.124 5.200 -13.819 1.00 22.10 C ATOM 0 H VAL A 98 -18.268 4.059 -12.518 1.00 71.33 H new ATOM 0 HA VAL A 98 -18.978 4.068 -15.339 1.00 73.25 H new ATOM 0 HB VAL A 98 -16.608 4.738 -15.841 1.00 63.53 H new ATOM 0 HG11 VAL A 98 -17.096 7.128 -15.474 1.00 50.45 H new ATOM 0 HG12 VAL A 98 -18.531 6.252 -16.058 1.00 50.45 H new ATOM 0 HG13 VAL A 98 -18.393 6.686 -14.337 1.00 50.45 H new ATOM 0 HG21 VAL A 98 -15.393 5.962 -14.090 1.00 22.10 H new ATOM 0 HG22 VAL A 98 -16.634 5.496 -12.902 1.00 22.10 H new ATOM 0 HG23 VAL A 98 -15.615 4.249 -13.660 1.00 22.10 H new ATOM 1383 N THR A 99 -17.332 2.210 -15.893 1.00 54.31 N ATOM 1384 CA THR A 99 -16.775 0.913 -16.168 1.00 1.53 C ATOM 1385 C THR A 99 -15.248 1.021 -16.185 1.00 2.41 C ATOM 1386 O THR A 99 -14.670 1.829 -16.923 1.00 63.11 O ATOM 1387 CB THR A 99 -17.333 0.317 -17.510 1.00 61.14 C ATOM 1388 OG1 THR A 99 -16.773 -0.979 -17.772 1.00 55.30 O ATOM 1389 CG2 THR A 99 -17.047 1.227 -18.687 1.00 73.12 C ATOM 0 H THR A 99 -17.494 2.778 -16.725 1.00 54.31 H new ATOM 0 HA THR A 99 -17.073 0.220 -15.381 1.00 1.53 H new ATOM 0 HB THR A 99 -18.413 0.227 -17.389 1.00 61.14 H new ATOM 0 HG1 THR A 99 -17.137 -1.329 -18.612 1.00 55.30 H new ATOM 0 HG21 THR A 99 -17.448 0.781 -19.597 1.00 73.12 H new ATOM 0 HG22 THR A 99 -17.517 2.196 -18.520 1.00 73.12 H new ATOM 0 HG23 THR A 99 -15.970 1.359 -18.792 1.00 73.12 H new ATOM 1397 N VAL A 100 -14.607 0.249 -15.359 1.00 12.33 N ATOM 1398 CA VAL A 100 -13.169 0.323 -15.227 1.00 14.33 C ATOM 1399 C VAL A 100 -12.535 -1.054 -15.247 1.00 74.14 C ATOM 1400 O VAL A 100 -13.197 -2.069 -14.976 1.00 5.32 O ATOM 1401 CB VAL A 100 -12.744 1.062 -13.929 1.00 21.15 C ATOM 1402 CG1 VAL A 100 -13.225 2.505 -13.933 1.00 20.05 C ATOM 1403 CG2 VAL A 100 -13.255 0.334 -12.692 1.00 24.50 C ATOM 0 H VAL A 100 -15.054 -0.445 -14.760 1.00 12.33 H new ATOM 0 HA VAL A 100 -12.813 0.891 -16.086 1.00 14.33 H new ATOM 0 HB VAL A 100 -11.654 1.068 -13.898 1.00 21.15 H new ATOM 0 HG11 VAL A 100 -12.912 2.995 -13.011 1.00 20.05 H new ATOM 0 HG12 VAL A 100 -12.796 3.029 -14.787 1.00 20.05 H new ATOM 0 HG13 VAL A 100 -14.313 2.526 -14.004 1.00 20.05 H new ATOM 0 HG21 VAL A 100 -12.943 0.873 -11.798 1.00 24.50 H new ATOM 0 HG22 VAL A 100 -14.343 0.283 -12.724 1.00 24.50 H new ATOM 0 HG23 VAL A 100 -12.845 -0.676 -12.669 1.00 24.50 H new ATOM 1413 N GLY A 101 -11.266 -1.086 -15.562 1.00 70.41 N ATOM 1414 CA GLY A 101 -10.539 -2.318 -15.585 1.00 13.33 C ATOM 1415 C GLY A 101 -9.617 -2.423 -14.401 1.00 54.24 C ATOM 1416 O GLY A 101 -8.735 -1.578 -14.220 1.00 23.41 O ATOM 0 H GLY A 101 -10.716 -0.263 -15.807 1.00 70.41 H new ATOM 0 HA2 GLY A 101 -11.236 -3.156 -15.583 1.00 13.33 H new ATOM 0 HA3 GLY A 101 -9.962 -2.386 -16.507 1.00 13.33 H new ATOM 1420 N ILE A 102 -9.823 -3.430 -13.596 1.00 64.23 N ATOM 1421 CA ILE A 102 -9.020 -3.651 -12.414 1.00 34.04 C ATOM 1422 C ILE A 102 -8.182 -4.894 -12.572 1.00 33.12 C ATOM 1423 O ILE A 102 -8.533 -5.784 -13.333 1.00 34.20 O ATOM 1424 CB ILE A 102 -9.884 -3.692 -11.097 1.00 43.34 C ATOM 1425 CG1 ILE A 102 -11.026 -4.735 -11.130 1.00 41.45 C ATOM 1426 CG2 ILE A 102 -10.455 -2.342 -10.792 1.00 3.14 C ATOM 1427 CD1 ILE A 102 -10.629 -6.176 -10.939 1.00 24.20 C ATOM 0 H ILE A 102 -10.555 -4.126 -13.738 1.00 64.23 H new ATOM 0 HA ILE A 102 -8.350 -2.798 -12.308 1.00 34.04 H new ATOM 0 HB ILE A 102 -9.195 -3.998 -10.309 1.00 43.34 H new ATOM 0 HG12 ILE A 102 -11.748 -4.475 -10.356 1.00 41.45 H new ATOM 0 HG13 ILE A 102 -11.540 -4.647 -12.087 1.00 41.45 H new ATOM 0 HG21 ILE A 102 -11.047 -2.395 -9.879 1.00 3.14 H new ATOM 0 HG22 ILE A 102 -9.644 -1.626 -10.657 1.00 3.14 H new ATOM 0 HG23 ILE A 102 -11.090 -2.020 -11.618 1.00 3.14 H new ATOM 0 HD11 ILE A 102 -11.517 -6.807 -10.983 1.00 24.20 H new ATOM 0 HD12 ILE A 102 -9.936 -6.470 -11.727 1.00 24.20 H new ATOM 0 HD13 ILE A 102 -10.147 -6.295 -9.969 1.00 24.20 H new ATOM 1439 N VAL A 103 -7.092 -4.959 -11.876 1.00 40.43 N ATOM 1440 CA VAL A 103 -6.213 -6.086 -11.971 1.00 4.12 C ATOM 1441 C VAL A 103 -6.103 -6.765 -10.623 1.00 0.15 C ATOM 1442 O VAL A 103 -5.659 -6.171 -9.648 1.00 42.53 O ATOM 1443 CB VAL A 103 -4.819 -5.693 -12.513 1.00 2.11 C ATOM 1444 CG1 VAL A 103 -3.903 -6.900 -12.613 1.00 5.44 C ATOM 1445 CG2 VAL A 103 -4.942 -5.008 -13.869 1.00 24.41 C ATOM 0 H VAL A 103 -6.784 -4.235 -11.226 1.00 40.43 H new ATOM 0 HA VAL A 103 -6.640 -6.787 -12.689 1.00 4.12 H new ATOM 0 HB VAL A 103 -4.376 -4.992 -11.806 1.00 2.11 H new ATOM 0 HG11 VAL A 103 -2.932 -6.589 -12.997 1.00 5.44 H new ATOM 0 HG12 VAL A 103 -3.777 -7.344 -11.626 1.00 5.44 H new ATOM 0 HG13 VAL A 103 -4.342 -7.635 -13.288 1.00 5.44 H new ATOM 0 HG21 VAL A 103 -3.950 -4.740 -14.232 1.00 24.41 H new ATOM 0 HG22 VAL A 103 -5.417 -5.687 -14.578 1.00 24.41 H new ATOM 0 HG23 VAL A 103 -5.547 -4.107 -13.768 1.00 24.41 H new ATOM 1455 N ARG A 104 -6.531 -7.992 -10.595 1.00 72.32 N ATOM 1456 CA ARG A 104 -6.578 -8.812 -9.414 1.00 44.21 C ATOM 1457 C ARG A 104 -5.180 -9.088 -8.872 1.00 35.25 C ATOM 1458 O ARG A 104 -4.328 -9.617 -9.577 1.00 73.44 O ATOM 1459 CB ARG A 104 -7.282 -10.111 -9.767 1.00 43.03 C ATOM 1460 CG ARG A 104 -7.366 -11.116 -8.655 1.00 24.43 C ATOM 1461 CD ARG A 104 -8.104 -12.351 -9.116 1.00 3.24 C ATOM 1462 NE ARG A 104 -8.211 -13.350 -8.069 1.00 61.14 N ATOM 1463 CZ ARG A 104 -8.841 -14.525 -8.205 1.00 2.42 C ATOM 1464 NH1 ARG A 104 -9.264 -14.926 -9.401 1.00 2.54 N ATOM 1465 NH2 ARG A 104 -9.000 -15.315 -7.155 1.00 73.10 N ATOM 0 H ARG A 104 -6.872 -8.472 -11.428 1.00 72.32 H new ATOM 0 HA ARG A 104 -7.124 -8.288 -8.630 1.00 44.21 H new ATOM 0 HB2 ARG A 104 -8.293 -9.878 -10.102 1.00 43.03 H new ATOM 0 HB3 ARG A 104 -6.764 -10.568 -10.610 1.00 43.03 H new ATOM 0 HG2 ARG A 104 -6.363 -11.386 -8.324 1.00 24.43 H new ATOM 0 HG3 ARG A 104 -7.877 -10.678 -7.798 1.00 24.43 H new ATOM 0 HD2 ARG A 104 -9.102 -12.071 -9.452 1.00 3.24 H new ATOM 0 HD3 ARG A 104 -7.588 -12.781 -9.974 1.00 3.24 H new ATOM 0 HE ARG A 104 -7.778 -13.144 -7.169 1.00 61.14 H new ATOM 0 HH11 ARG A 104 -9.109 -14.338 -10.220 1.00 2.54 H new ATOM 0 HH12 ARG A 104 -9.743 -15.821 -9.499 1.00 2.54 H new ATOM 0 HH21 ARG A 104 -8.643 -15.029 -6.243 1.00 73.10 H new ATOM 0 HH22 ARG A 104 -9.479 -16.209 -7.258 1.00 73.10 H new ATOM 1479 N GLU A 105 -4.983 -8.755 -7.616 1.00 21.04 N ATOM 1480 CA GLU A 105 -3.699 -8.905 -6.926 1.00 74.01 C ATOM 1481 C GLU A 105 -3.246 -10.360 -6.866 1.00 20.33 C ATOM 1482 O GLU A 105 -2.059 -10.653 -6.962 1.00 3.41 O ATOM 1483 CB GLU A 105 -3.819 -8.347 -5.506 1.00 34.53 C ATOM 1484 CG GLU A 105 -4.101 -6.856 -5.431 1.00 42.14 C ATOM 1485 CD GLU A 105 -2.949 -6.026 -5.911 1.00 1.31 C ATOM 1486 OE1 GLU A 105 -2.754 -5.900 -7.130 1.00 3.41 O ATOM 1487 OE2 GLU A 105 -2.204 -5.496 -5.062 1.00 31.15 O ATOM 0 H GLU A 105 -5.717 -8.364 -7.025 1.00 21.04 H new ATOM 0 HA GLU A 105 -2.950 -8.350 -7.491 1.00 74.01 H new ATOM 0 HB2 GLU A 105 -4.616 -8.880 -4.987 1.00 34.53 H new ATOM 0 HB3 GLU A 105 -2.894 -8.555 -4.969 1.00 34.53 H new ATOM 0 HG2 GLU A 105 -4.983 -6.626 -6.029 1.00 42.14 H new ATOM 0 HG3 GLU A 105 -4.334 -6.586 -4.401 1.00 42.14 H new ATOM 1494 N ASP A 106 -4.200 -11.258 -6.718 1.00 55.13 N ATOM 1495 CA ASP A 106 -3.910 -12.697 -6.569 1.00 22.04 C ATOM 1496 C ASP A 106 -3.176 -13.277 -7.753 1.00 34.30 C ATOM 1497 O ASP A 106 -2.129 -13.904 -7.612 1.00 1.12 O ATOM 1498 CB ASP A 106 -5.196 -13.513 -6.429 1.00 71.41 C ATOM 1499 CG ASP A 106 -6.030 -13.153 -5.258 1.00 61.40 C ATOM 1500 OD1 ASP A 106 -5.808 -13.699 -4.170 1.00 63.45 O ATOM 1501 OD2 ASP A 106 -6.944 -12.335 -5.421 1.00 45.34 O ATOM 0 H ASP A 106 -5.194 -11.028 -6.696 1.00 55.13 H new ATOM 0 HA ASP A 106 -3.290 -12.762 -5.675 1.00 22.04 H new ATOM 0 HB2 ASP A 106 -5.790 -13.388 -7.334 1.00 71.41 H new ATOM 0 HB3 ASP A 106 -4.935 -14.569 -6.362 1.00 71.41 H new ATOM 1506 N ASN A 107 -3.724 -13.069 -8.915 1.00 40.30 N ATOM 1507 CA ASN A 107 -3.289 -13.775 -10.068 1.00 13.11 C ATOM 1508 C ASN A 107 -2.963 -12.851 -11.274 1.00 72.35 C ATOM 1509 O ASN A 107 -2.735 -13.305 -12.390 1.00 35.10 O ATOM 1510 CB ASN A 107 -4.347 -14.880 -10.320 1.00 4.12 C ATOM 1511 CG ASN A 107 -4.266 -15.553 -11.632 1.00 53.12 C ATOM 1512 OD1 ASN A 107 -3.476 -16.477 -11.832 1.00 51.32 O ATOM 1513 ND2 ASN A 107 -5.154 -15.180 -12.484 1.00 63.42 N ATOM 0 H ASN A 107 -4.481 -12.406 -9.082 1.00 40.30 H new ATOM 0 HA ASN A 107 -2.319 -14.247 -9.910 1.00 13.11 H new ATOM 0 HB2 ASN A 107 -4.252 -15.634 -9.538 1.00 4.12 H new ATOM 0 HB3 ASN A 107 -5.338 -14.439 -10.219 1.00 4.12 H new ATOM 0 HD21 ASN A 107 -5.231 -15.657 -13.382 1.00 63.42 H new ATOM 0 HD22 ASN A 107 -5.781 -14.407 -12.262 1.00 63.42 H new ATOM 1520 N SER A 108 -2.913 -11.542 -11.008 1.00 5.12 N ATOM 1521 CA SER A 108 -2.504 -10.523 -12.002 1.00 62.24 C ATOM 1522 C SER A 108 -3.480 -10.444 -13.209 1.00 53.24 C ATOM 1523 O SER A 108 -3.206 -9.789 -14.214 1.00 23.22 O ATOM 1524 CB SER A 108 -1.038 -10.791 -12.453 1.00 23.12 C ATOM 1525 OG SER A 108 -0.535 -9.775 -13.305 1.00 73.41 O ATOM 0 H SER A 108 -3.154 -11.150 -10.098 1.00 5.12 H new ATOM 0 HA SER A 108 -2.549 -9.544 -11.524 1.00 62.24 H new ATOM 0 HB2 SER A 108 -0.400 -10.871 -11.573 1.00 23.12 H new ATOM 0 HB3 SER A 108 -0.990 -11.750 -12.969 1.00 23.12 H new ATOM 0 HG SER A 108 -1.216 -9.538 -13.969 1.00 73.41 H new ATOM 1531 N GLU A 109 -4.626 -11.069 -13.080 1.00 53.45 N ATOM 1532 CA GLU A 109 -5.614 -11.057 -14.133 1.00 72.33 C ATOM 1533 C GLU A 109 -6.391 -9.768 -14.070 1.00 64.25 C ATOM 1534 O GLU A 109 -6.536 -9.173 -13.001 1.00 41.24 O ATOM 1535 CB GLU A 109 -6.557 -12.237 -13.983 1.00 11.23 C ATOM 1536 CG GLU A 109 -7.332 -12.226 -12.684 1.00 63.20 C ATOM 1537 CD GLU A 109 -8.183 -13.430 -12.486 1.00 20.01 C ATOM 1538 OE1 GLU A 109 -9.286 -13.509 -13.064 1.00 64.21 O ATOM 1539 OE2 GLU A 109 -7.767 -14.311 -11.737 1.00 21.33 O ATOM 0 H GLU A 109 -4.899 -11.596 -12.250 1.00 53.45 H new ATOM 0 HA GLU A 109 -5.112 -11.135 -15.097 1.00 72.33 H new ATOM 0 HB2 GLU A 109 -7.259 -12.239 -14.816 1.00 11.23 H new ATOM 0 HB3 GLU A 109 -5.983 -13.162 -14.047 1.00 11.23 H new ATOM 0 HG2 GLU A 109 -6.631 -12.147 -11.853 1.00 63.20 H new ATOM 0 HG3 GLU A 109 -7.962 -11.337 -12.655 1.00 63.20 H new ATOM 1546 N LYS A 110 -6.885 -9.339 -15.168 1.00 52.40 N ATOM 1547 CA LYS A 110 -7.628 -8.121 -15.195 1.00 2.32 C ATOM 1548 C LYS A 110 -9.108 -8.425 -15.340 1.00 4.22 C ATOM 1549 O LYS A 110 -9.491 -9.426 -15.961 1.00 52.20 O ATOM 1550 CB LYS A 110 -7.151 -7.211 -16.322 1.00 61.54 C ATOM 1551 CG LYS A 110 -7.323 -7.785 -17.703 1.00 3.41 C ATOM 1552 CD LYS A 110 -6.804 -6.827 -18.740 1.00 62.53 C ATOM 1553 CE LYS A 110 -7.008 -7.360 -20.138 1.00 54.14 C ATOM 1554 NZ LYS A 110 -6.539 -6.405 -21.158 1.00 22.25 N ATOM 0 H LYS A 110 -6.793 -9.809 -16.069 1.00 52.40 H new ATOM 0 HA LYS A 110 -7.465 -7.594 -14.255 1.00 2.32 H new ATOM 0 HB2 LYS A 110 -7.694 -6.267 -16.264 1.00 61.54 H new ATOM 0 HB3 LYS A 110 -6.097 -6.983 -16.166 1.00 61.54 H new ATOM 0 HG2 LYS A 110 -6.792 -8.734 -17.778 1.00 3.41 H new ATOM 0 HG3 LYS A 110 -8.377 -7.994 -17.888 1.00 3.41 H new ATOM 0 HD2 LYS A 110 -7.312 -5.868 -18.637 1.00 62.53 H new ATOM 0 HD3 LYS A 110 -5.743 -6.645 -18.570 1.00 62.53 H new ATOM 0 HE2 LYS A 110 -6.474 -8.304 -20.250 1.00 54.14 H new ATOM 0 HE3 LYS A 110 -8.065 -7.572 -20.296 1.00 54.14 H new ATOM 0 HZ1 LYS A 110 -6.695 -6.805 -22.105 1.00 22.25 H new ATOM 0 HZ2 LYS A 110 -7.066 -5.513 -21.067 1.00 22.25 H new ATOM 0 HZ3 LYS A 110 -5.524 -6.222 -21.022 1.00 22.25 H new ATOM 1568 N MET A 111 -9.911 -7.604 -14.754 1.00 55.42 N ATOM 1569 CA MET A 111 -11.349 -7.725 -14.823 1.00 62.34 C ATOM 1570 C MET A 111 -11.958 -6.408 -15.025 1.00 2.13 C ATOM 1571 O MET A 111 -11.335 -5.374 -14.802 1.00 63.22 O ATOM 1572 CB MET A 111 -12.006 -8.356 -13.612 1.00 53.32 C ATOM 1573 CG MET A 111 -11.603 -9.761 -13.321 1.00 32.13 C ATOM 1574 SD MET A 111 -12.632 -10.517 -12.043 1.00 4.23 S ATOM 1575 CE MET A 111 -12.587 -9.249 -10.790 1.00 4.15 C ATOM 0 H MET A 111 -9.592 -6.810 -14.199 1.00 55.42 H new ATOM 0 HA MET A 111 -11.522 -8.397 -15.664 1.00 62.34 H new ATOM 0 HB2 MET A 111 -11.781 -7.744 -12.739 1.00 53.32 H new ATOM 0 HB3 MET A 111 -13.087 -8.328 -13.751 1.00 53.32 H new ATOM 0 HG2 MET A 111 -11.669 -10.352 -14.234 1.00 32.13 H new ATOM 0 HG3 MET A 111 -10.560 -9.780 -13.003 1.00 32.13 H new ATOM 0 HE1 MET A 111 -12.925 -9.664 -9.840 1.00 4.15 H new ATOM 0 HE2 MET A 111 -11.567 -8.880 -10.682 1.00 4.15 H new ATOM 0 HE3 MET A 111 -13.241 -8.427 -11.080 1.00 4.15 H new ATOM 1585 N ALA A 112 -13.153 -6.438 -15.429 1.00 70.23 N ATOM 1586 CA ALA A 112 -13.897 -5.243 -15.691 1.00 2.21 C ATOM 1587 C ALA A 112 -14.948 -5.101 -14.642 1.00 2.41 C ATOM 1588 O ALA A 112 -15.821 -5.960 -14.507 1.00 54.33 O ATOM 1589 CB ALA A 112 -14.524 -5.265 -17.066 1.00 32.50 C ATOM 0 H ALA A 112 -13.673 -7.299 -15.597 1.00 70.23 H new ATOM 0 HA ALA A 112 -13.219 -4.390 -15.664 1.00 2.21 H new ATOM 0 HB1 ALA A 112 -15.080 -4.341 -17.227 1.00 32.50 H new ATOM 0 HB2 ALA A 112 -13.743 -5.355 -17.821 1.00 32.50 H new ATOM 0 HB3 ALA A 112 -15.202 -6.115 -17.143 1.00 32.50 H new ATOM 1595 N VAL A 113 -14.869 -4.047 -13.898 1.00 64.21 N ATOM 1596 CA VAL A 113 -15.781 -3.829 -12.814 1.00 73.33 C ATOM 1597 C VAL A 113 -16.399 -2.457 -12.922 1.00 51.45 C ATOM 1598 O VAL A 113 -16.027 -1.661 -13.800 1.00 31.41 O ATOM 1599 CB VAL A 113 -15.086 -3.965 -11.426 1.00 30.13 C ATOM 1600 CG1 VAL A 113 -14.474 -5.338 -11.244 1.00 61.13 C ATOM 1601 CG2 VAL A 113 -14.039 -2.891 -11.236 1.00 50.43 C ATOM 0 H VAL A 113 -14.173 -3.311 -14.021 1.00 64.21 H new ATOM 0 HA VAL A 113 -16.552 -4.597 -12.886 1.00 73.33 H new ATOM 0 HB VAL A 113 -15.855 -3.836 -10.664 1.00 30.13 H new ATOM 0 HG11 VAL A 113 -13.998 -5.397 -10.265 1.00 61.13 H new ATOM 0 HG12 VAL A 113 -15.254 -6.096 -11.315 1.00 61.13 H new ATOM 0 HG13 VAL A 113 -13.729 -5.510 -12.021 1.00 61.13 H new ATOM 0 HG21 VAL A 113 -13.570 -3.009 -10.259 1.00 50.43 H new ATOM 0 HG22 VAL A 113 -13.282 -2.979 -12.015 1.00 50.43 H new ATOM 0 HG23 VAL A 113 -14.509 -1.910 -11.296 1.00 50.43 H new ATOM 1611 N LYS A 114 -17.340 -2.193 -12.070 1.00 22.20 N ATOM 1612 CA LYS A 114 -17.965 -0.900 -11.993 1.00 63.24 C ATOM 1613 C LYS A 114 -17.363 -0.180 -10.798 1.00 61.10 C ATOM 1614 O LYS A 114 -16.944 -0.831 -9.844 1.00 13.50 O ATOM 1615 CB LYS A 114 -19.478 -1.064 -11.766 1.00 64.03 C ATOM 1616 CG LYS A 114 -20.210 -1.892 -12.824 1.00 5.35 C ATOM 1617 CD LYS A 114 -20.171 -1.247 -14.199 1.00 22.24 C ATOM 1618 CE LYS A 114 -20.913 -2.093 -15.236 1.00 25.13 C ATOM 1619 NZ LYS A 114 -20.299 -3.422 -15.427 1.00 54.05 N ATOM 0 H LYS A 114 -17.703 -2.872 -11.400 1.00 22.20 H new ATOM 0 HA LYS A 114 -17.805 -0.343 -12.916 1.00 63.24 H new ATOM 0 HB2 LYS A 114 -19.635 -1.528 -10.792 1.00 64.03 H new ATOM 0 HB3 LYS A 114 -19.932 -0.074 -11.724 1.00 64.03 H new ATOM 0 HG2 LYS A 114 -19.761 -2.884 -12.879 1.00 5.35 H new ATOM 0 HG3 LYS A 114 -21.248 -2.028 -12.520 1.00 5.35 H new ATOM 0 HD2 LYS A 114 -20.619 -0.255 -14.149 1.00 22.24 H new ATOM 0 HD3 LYS A 114 -19.135 -1.114 -14.510 1.00 22.24 H new ATOM 0 HE2 LYS A 114 -21.950 -2.217 -14.924 1.00 25.13 H new ATOM 0 HE3 LYS A 114 -20.928 -1.563 -16.188 1.00 25.13 H new ATOM 0 HZ1 LYS A 114 -20.717 -3.881 -16.261 1.00 54.05 H new ATOM 0 HZ2 LYS A 114 -19.274 -3.314 -15.568 1.00 54.05 H new ATOM 0 HZ3 LYS A 114 -20.473 -4.009 -14.586 1.00 54.05 H new ATOM 1633 N THR A 115 -17.276 1.114 -10.848 1.00 34.13 N ATOM 1634 CA THR A 115 -16.808 1.858 -9.702 1.00 72.00 C ATOM 1635 C THR A 115 -17.422 3.245 -9.743 1.00 12.24 C ATOM 1636 O THR A 115 -18.063 3.612 -10.735 1.00 22.21 O ATOM 1637 CB THR A 115 -15.249 1.951 -9.633 1.00 73.21 C ATOM 1638 OG1 THR A 115 -14.844 2.443 -8.342 1.00 60.35 O ATOM 1639 CG2 THR A 115 -14.721 2.907 -10.692 1.00 31.23 C ATOM 0 H THR A 115 -17.519 1.680 -11.661 1.00 34.13 H new ATOM 0 HA THR A 115 -17.119 1.327 -8.802 1.00 72.00 H new ATOM 0 HB THR A 115 -14.845 0.953 -9.804 1.00 73.21 H new ATOM 0 HG1 THR A 115 -15.044 1.770 -7.658 1.00 60.35 H new ATOM 0 HG21 THR A 115 -13.634 2.958 -10.627 1.00 31.23 H new ATOM 0 HG22 THR A 115 -15.009 2.550 -11.681 1.00 31.23 H new ATOM 0 HG23 THR A 115 -15.141 3.899 -10.528 1.00 31.23 H new ATOM 1647 N TYR A 116 -17.237 3.991 -8.694 1.00 23.53 N ATOM 1648 CA TYR A 116 -17.789 5.305 -8.582 1.00 11.12 C ATOM 1649 C TYR A 116 -16.664 6.301 -8.435 1.00 20.31 C ATOM 1650 O TYR A 116 -15.893 6.249 -7.484 1.00 54.40 O ATOM 1651 CB TYR A 116 -18.748 5.376 -7.384 1.00 23.32 C ATOM 1652 CG TYR A 116 -19.876 4.371 -7.461 1.00 55.33 C ATOM 1653 CD1 TYR A 116 -19.718 3.086 -6.954 1.00 33.23 C ATOM 1654 CD2 TYR A 116 -21.086 4.698 -8.050 1.00 13.33 C ATOM 1655 CE1 TYR A 116 -20.731 2.157 -7.039 1.00 72.04 C ATOM 1656 CE2 TYR A 116 -22.104 3.778 -8.133 1.00 2.23 C ATOM 1657 CZ TYR A 116 -21.921 2.508 -7.631 1.00 54.13 C ATOM 1658 OH TYR A 116 -22.928 1.586 -7.730 1.00 45.42 O ATOM 0 H TYR A 116 -16.692 3.699 -7.883 1.00 23.53 H new ATOM 0 HA TYR A 116 -18.359 5.545 -9.480 1.00 11.12 H new ATOM 0 HB2 TYR A 116 -18.184 5.210 -6.466 1.00 23.32 H new ATOM 0 HB3 TYR A 116 -19.168 6.380 -7.323 1.00 23.32 H new ATOM 0 HD1 TYR A 116 -18.784 2.812 -6.485 1.00 33.23 H new ATOM 0 HD2 TYR A 116 -21.232 5.691 -8.450 1.00 13.33 H new ATOM 0 HE1 TYR A 116 -20.592 1.161 -6.644 1.00 72.04 H new ATOM 0 HE2 TYR A 116 -23.044 4.050 -8.590 1.00 2.23 H new ATOM 0 HH TYR A 116 -22.635 0.738 -7.335 1.00 45.42 H new ATOM 1668 N MET A 117 -16.547 7.173 -9.388 1.00 33.21 N ATOM 1669 CA MET A 117 -15.513 8.180 -9.361 1.00 0.53 C ATOM 1670 C MET A 117 -16.131 9.539 -9.186 1.00 73.15 C ATOM 1671 O MET A 117 -17.329 9.732 -9.476 1.00 14.25 O ATOM 1672 CB MET A 117 -14.593 8.153 -10.598 1.00 64.41 C ATOM 1673 CG MET A 117 -15.279 8.466 -11.896 1.00 63.55 C ATOM 1674 SD MET A 117 -14.153 8.551 -13.289 1.00 22.21 S ATOM 1675 CE MET A 117 -15.334 8.796 -14.601 1.00 21.40 C ATOM 0 H MET A 117 -17.157 7.214 -10.204 1.00 33.21 H new ATOM 0 HA MET A 117 -14.872 7.952 -8.510 1.00 0.53 H new ATOM 0 HB2 MET A 117 -13.784 8.868 -10.448 1.00 64.41 H new ATOM 0 HB3 MET A 117 -14.136 7.166 -10.673 1.00 64.41 H new ATOM 0 HG2 MET A 117 -16.034 7.705 -12.093 1.00 63.55 H new ATOM 0 HG3 MET A 117 -15.803 9.417 -11.802 1.00 63.55 H new ATOM 0 HE1 MET A 117 -15.174 8.049 -15.379 1.00 21.40 H new ATOM 0 HE2 MET A 117 -16.344 8.696 -14.204 1.00 21.40 H new ATOM 0 HE3 MET A 117 -15.207 9.793 -15.024 1.00 21.40 H new ATOM 1685 N TRP A 118 -15.348 10.456 -8.683 1.00 10.10 N ATOM 1686 CA TRP A 118 -15.786 11.791 -8.443 1.00 0.55 C ATOM 1687 C TRP A 118 -16.038 12.465 -9.780 1.00 3.22 C ATOM 1688 O TRP A 118 -15.160 12.518 -10.644 1.00 25.44 O ATOM 1689 CB TRP A 118 -14.742 12.545 -7.626 1.00 61.10 C ATOM 1690 CG TRP A 118 -15.195 13.884 -7.189 1.00 25.33 C ATOM 1691 CD1 TRP A 118 -14.677 15.080 -7.538 1.00 30.22 C ATOM 1692 CD2 TRP A 118 -16.286 14.151 -6.320 1.00 10.31 C ATOM 1693 NE1 TRP A 118 -15.384 16.090 -6.941 1.00 70.42 N ATOM 1694 CE2 TRP A 118 -16.381 15.542 -6.182 1.00 43.22 C ATOM 1695 CE3 TRP A 118 -17.193 13.340 -5.648 1.00 22.53 C ATOM 1696 CZ2 TRP A 118 -17.355 16.142 -5.394 1.00 33.23 C ATOM 1697 CZ3 TRP A 118 -18.151 13.922 -4.869 1.00 23.42 C ATOM 1698 CH2 TRP A 118 -18.235 15.310 -4.743 1.00 31.32 C ATOM 0 H TRP A 118 -14.375 10.287 -8.427 1.00 10.10 H new ATOM 0 HA TRP A 118 -16.712 11.789 -7.868 1.00 0.55 H new ATOM 0 HB2 TRP A 118 -14.481 11.953 -6.749 1.00 61.10 H new ATOM 0 HB3 TRP A 118 -13.834 12.652 -8.220 1.00 61.10 H new ATOM 0 HD1 TRP A 118 -13.829 15.220 -8.192 1.00 30.22 H new ATOM 0 HE1 TRP A 118 -15.197 17.087 -7.045 1.00 70.42 H new ATOM 0 HE3 TRP A 118 -17.141 12.265 -5.741 1.00 22.53 H new ATOM 0 HZ2 TRP A 118 -17.418 17.216 -5.297 1.00 33.23 H new ATOM 0 HZ3 TRP A 118 -18.856 13.298 -4.341 1.00 23.42 H new ATOM 0 HH2 TRP A 118 -19.007 15.739 -4.121 1.00 31.32 H new ATOM 1709 N ILE A 119 -17.242 12.958 -9.935 1.00 61.14 N ATOM 1710 CA ILE A 119 -17.708 13.499 -11.195 1.00 11.43 C ATOM 1711 C ILE A 119 -16.980 14.786 -11.569 1.00 20.23 C ATOM 1712 O ILE A 119 -16.594 14.979 -12.733 1.00 14.42 O ATOM 1713 CB ILE A 119 -19.222 13.741 -11.140 1.00 24.53 C ATOM 1714 CG1 ILE A 119 -19.892 12.471 -10.622 1.00 41.13 C ATOM 1715 CG2 ILE A 119 -19.737 14.068 -12.544 1.00 74.51 C ATOM 1716 CD1 ILE A 119 -21.364 12.594 -10.384 1.00 34.23 C ATOM 0 H ILE A 119 -17.934 12.997 -9.187 1.00 61.14 H new ATOM 0 HA ILE A 119 -17.488 12.763 -11.969 1.00 11.43 H new ATOM 0 HB ILE A 119 -19.450 14.577 -10.479 1.00 24.53 H new ATOM 0 HG12 ILE A 119 -19.719 11.667 -11.338 1.00 41.13 H new ATOM 0 HG13 ILE A 119 -19.410 12.176 -9.690 1.00 41.13 H new ATOM 0 HG21 ILE A 119 -20.813 14.240 -12.506 1.00 74.51 H new ATOM 0 HG22 ILE A 119 -19.239 14.964 -12.915 1.00 74.51 H new ATOM 0 HG23 ILE A 119 -19.527 13.233 -13.212 1.00 74.51 H new ATOM 0 HD11 ILE A 119 -21.754 11.644 -10.018 1.00 34.23 H new ATOM 0 HD12 ILE A 119 -21.549 13.372 -9.644 1.00 34.23 H new ATOM 0 HD13 ILE A 119 -21.863 12.855 -11.317 1.00 34.23 H new ATOM 1728 N ASN A 120 -16.761 15.659 -10.600 1.00 21.04 N ATOM 1729 CA ASN A 120 -16.017 16.875 -10.880 1.00 41.21 C ATOM 1730 C ASN A 120 -14.556 16.598 -10.691 1.00 32.41 C ATOM 1731 O ASN A 120 -13.959 16.946 -9.691 1.00 64.41 O ATOM 1732 CB ASN A 120 -16.474 18.084 -10.036 1.00 42.24 C ATOM 1733 CG ASN A 120 -15.701 19.371 -10.369 1.00 11.21 C ATOM 1734 OD1 ASN A 120 -15.235 19.561 -11.495 1.00 61.35 O ATOM 1735 ND2 ASN A 120 -15.568 20.248 -9.404 1.00 62.31 N ATOM 0 H ASN A 120 -17.078 15.554 -9.636 1.00 21.04 H new ATOM 0 HA ASN A 120 -16.216 17.160 -11.913 1.00 41.21 H new ATOM 0 HB2 ASN A 120 -17.538 18.253 -10.199 1.00 42.24 H new ATOM 0 HB3 ASN A 120 -16.346 17.852 -8.979 1.00 42.24 H new ATOM 0 HD21 ASN A 120 -15.066 21.120 -9.573 1.00 62.31 H new ATOM 0 HD22 ASN A 120 -15.966 20.059 -8.484 1.00 62.31 H new ATOM 1742 N LYS A 121 -13.999 15.920 -11.645 1.00 24.45 N ATOM 1743 CA LYS A 121 -12.629 15.475 -11.580 1.00 64.23 C ATOM 1744 C LYS A 121 -11.632 16.590 -11.851 1.00 13.33 C ATOM 1745 O LYS A 121 -10.430 16.375 -11.818 1.00 63.03 O ATOM 1746 CB LYS A 121 -12.422 14.243 -12.476 1.00 31.02 C ATOM 1747 CG LYS A 121 -12.920 14.401 -13.903 1.00 64.42 C ATOM 1748 CD LYS A 121 -12.778 13.097 -14.665 1.00 40.23 C ATOM 1749 CE LYS A 121 -13.361 13.183 -16.066 1.00 71.52 C ATOM 1750 NZ LYS A 121 -12.682 14.188 -16.904 1.00 65.50 N ATOM 0 H LYS A 121 -14.482 15.653 -12.503 1.00 24.45 H new ATOM 0 HA LYS A 121 -12.426 15.169 -10.554 1.00 64.23 H new ATOM 0 HB2 LYS A 121 -11.359 14.005 -12.502 1.00 31.02 H new ATOM 0 HB3 LYS A 121 -12.929 13.392 -12.022 1.00 31.02 H new ATOM 0 HG2 LYS A 121 -13.964 14.713 -13.897 1.00 64.42 H new ATOM 0 HG3 LYS A 121 -12.355 15.186 -14.406 1.00 64.42 H new ATOM 0 HD2 LYS A 121 -11.724 12.828 -14.728 1.00 40.23 H new ATOM 0 HD3 LYS A 121 -13.277 12.300 -14.114 1.00 40.23 H new ATOM 0 HE2 LYS A 121 -13.289 12.207 -16.546 1.00 71.52 H new ATOM 0 HE3 LYS A 121 -14.421 13.428 -16.000 1.00 71.52 H new ATOM 0 HZ1 LYS A 121 -13.049 14.135 -17.876 1.00 65.50 H new ATOM 0 HZ2 LYS A 121 -12.858 15.138 -16.519 1.00 65.50 H new ATOM 0 HZ3 LYS A 121 -11.659 14.001 -16.910 1.00 65.50 H new ATOM 1764 N ALA A 122 -12.144 17.777 -12.100 1.00 24.41 N ATOM 1765 CA ALA A 122 -11.318 18.947 -12.294 1.00 71.12 C ATOM 1766 C ALA A 122 -11.317 19.801 -11.021 1.00 50.02 C ATOM 1767 O ALA A 122 -10.813 20.921 -11.014 1.00 53.11 O ATOM 1768 CB ALA A 122 -11.823 19.755 -13.479 1.00 11.44 C ATOM 0 H ALA A 122 -13.145 17.957 -12.173 1.00 24.41 H new ATOM 0 HA ALA A 122 -10.296 18.631 -12.504 1.00 71.12 H new ATOM 0 HB1 ALA A 122 -11.193 20.634 -13.615 1.00 11.44 H new ATOM 0 HB2 ALA A 122 -11.789 19.141 -14.379 1.00 11.44 H new ATOM 0 HB3 ALA A 122 -12.850 20.070 -13.293 1.00 11.44 H new ATOM 1774 N ASP A 123 -11.886 19.250 -9.956 1.00 21.21 N ATOM 1775 CA ASP A 123 -11.962 19.919 -8.647 1.00 52.13 C ATOM 1776 C ASP A 123 -10.551 20.089 -8.062 1.00 32.21 C ATOM 1777 O ASP A 123 -9.719 19.216 -8.204 1.00 51.21 O ATOM 1778 CB ASP A 123 -12.835 19.074 -7.698 1.00 12.41 C ATOM 1779 CG ASP A 123 -13.003 19.663 -6.316 1.00 42.24 C ATOM 1780 OD1 ASP A 123 -13.963 20.447 -6.095 1.00 62.41 O ATOM 1781 OD2 ASP A 123 -12.220 19.341 -5.429 1.00 72.41 O ATOM 0 H ASP A 123 -12.312 18.323 -9.968 1.00 21.21 H new ATOM 0 HA ASP A 123 -12.409 20.906 -8.765 1.00 52.13 H new ATOM 0 HB2 ASP A 123 -13.820 18.945 -8.147 1.00 12.41 H new ATOM 0 HB3 ASP A 123 -12.395 18.081 -7.606 1.00 12.41 H new ATOM 1786 N PRO A 124 -10.237 21.239 -7.455 1.00 35.11 N ATOM 1787 CA PRO A 124 -8.943 21.460 -6.843 1.00 2.05 C ATOM 1788 C PRO A 124 -8.950 21.264 -5.313 1.00 32.21 C ATOM 1789 O PRO A 124 -8.018 21.693 -4.629 1.00 20.34 O ATOM 1790 CB PRO A 124 -8.700 22.931 -7.174 1.00 2.23 C ATOM 1791 CG PRO A 124 -10.068 23.559 -7.136 1.00 35.33 C ATOM 1792 CD PRO A 124 -11.076 22.444 -7.369 1.00 15.11 C ATOM 0 HA PRO A 124 -8.188 20.761 -7.203 1.00 2.05 H new ATOM 0 HB2 PRO A 124 -8.030 23.395 -6.450 1.00 2.23 H new ATOM 0 HB3 PRO A 124 -8.238 23.046 -8.155 1.00 2.23 H new ATOM 0 HG2 PRO A 124 -10.244 24.043 -6.175 1.00 35.33 H new ATOM 0 HG3 PRO A 124 -10.160 24.329 -7.902 1.00 35.33 H new ATOM 0 HD2 PRO A 124 -11.795 22.375 -6.553 1.00 15.11 H new ATOM 0 HD3 PRO A 124 -11.646 22.603 -8.284 1.00 15.11 H new ATOM 1800 N ASP A 125 -9.964 20.596 -4.779 1.00 11.42 N ATOM 1801 CA ASP A 125 -10.108 20.489 -3.330 1.00 74.04 C ATOM 1802 C ASP A 125 -10.041 19.070 -2.799 1.00 52.35 C ATOM 1803 O ASP A 125 -10.001 18.881 -1.585 1.00 23.32 O ATOM 1804 CB ASP A 125 -11.379 21.186 -2.818 1.00 40.14 C ATOM 1805 CG ASP A 125 -11.355 22.690 -2.955 1.00 22.52 C ATOM 1806 OD1 ASP A 125 -11.796 23.216 -3.994 1.00 62.14 O ATOM 1807 OD2 ASP A 125 -10.919 23.380 -2.005 1.00 75.30 O ATOM 0 H ASP A 125 -10.691 20.125 -5.317 1.00 11.42 H new ATOM 0 HA ASP A 125 -9.236 21.011 -2.936 1.00 74.04 H new ATOM 0 HB2 ASP A 125 -12.239 20.796 -3.363 1.00 40.14 H new ATOM 0 HB3 ASP A 125 -11.523 20.930 -1.768 1.00 40.14 H new ATOM 1812 N MET A 126 -10.046 18.058 -3.672 1.00 72.21 N ATOM 1813 CA MET A 126 -9.877 16.674 -3.178 1.00 72.04 C ATOM 1814 C MET A 126 -8.412 16.333 -3.072 1.00 14.23 C ATOM 1815 O MET A 126 -8.042 15.242 -2.640 1.00 63.10 O ATOM 1816 CB MET A 126 -10.605 15.587 -4.019 1.00 44.13 C ATOM 1817 CG MET A 126 -10.123 15.379 -5.445 1.00 62.21 C ATOM 1818 SD MET A 126 -10.371 16.789 -6.499 1.00 62.23 S ATOM 1819 CE MET A 126 -9.896 16.101 -8.081 1.00 11.21 C ATOM 0 H MET A 126 -10.159 18.154 -4.681 1.00 72.21 H new ATOM 0 HA MET A 126 -10.352 16.661 -2.197 1.00 72.04 H new ATOM 0 HB2 MET A 126 -10.520 14.637 -3.491 1.00 44.13 H new ATOM 0 HB3 MET A 126 -11.665 15.839 -4.053 1.00 44.13 H new ATOM 0 HG2 MET A 126 -9.061 15.132 -5.427 1.00 62.21 H new ATOM 0 HG3 MET A 126 -10.642 14.521 -5.873 1.00 62.21 H new ATOM 0 HE1 MET A 126 -9.142 16.738 -8.543 1.00 11.21 H new ATOM 0 HE2 MET A 126 -9.486 15.102 -7.935 1.00 11.21 H new ATOM 0 HE3 MET A 126 -10.770 16.044 -8.730 1.00 11.21 H new ATOM 2066 N LYS A 140 10.327 5.697 -4.598 1.00 12.43 N ATOM 2067 CA LYS A 140 10.937 6.941 -5.084 1.00 63.34 C ATOM 2068 C LYS A 140 12.056 6.730 -6.093 1.00 54.33 C ATOM 2069 O LYS A 140 12.122 7.442 -7.068 1.00 71.12 O ATOM 2070 CB LYS A 140 11.436 7.806 -3.920 1.00 51.14 C ATOM 2071 CG LYS A 140 11.993 9.157 -4.348 1.00 61.33 C ATOM 2072 CD LYS A 140 12.476 10.047 -3.186 1.00 21.02 C ATOM 2073 CE LYS A 140 13.754 9.547 -2.473 1.00 72.52 C ATOM 2074 NZ LYS A 140 13.579 8.298 -1.688 1.00 45.23 N ATOM 0 HA LYS A 140 10.139 7.463 -5.612 1.00 63.34 H new ATOM 0 HB2 LYS A 140 10.614 7.968 -3.222 1.00 51.14 H new ATOM 0 HB3 LYS A 140 12.210 7.260 -3.380 1.00 51.14 H new ATOM 0 HG2 LYS A 140 12.825 8.992 -5.033 1.00 61.33 H new ATOM 0 HG3 LYS A 140 11.224 9.693 -4.904 1.00 61.33 H new ATOM 0 HD2 LYS A 140 12.660 11.051 -3.568 1.00 21.02 H new ATOM 0 HD3 LYS A 140 11.675 10.127 -2.451 1.00 21.02 H new ATOM 0 HE2 LYS A 140 14.531 9.384 -3.220 1.00 72.52 H new ATOM 0 HE3 LYS A 140 14.112 10.332 -1.807 1.00 72.52 H new ATOM 0 HZ1 LYS A 140 14.084 8.383 -0.783 1.00 45.23 H new ATOM 0 HZ2 LYS A 140 12.567 8.141 -1.507 1.00 45.23 H new ATOM 0 HZ3 LYS A 140 13.964 7.494 -2.224 1.00 45.23 H new ATOM 2088 N LYS A 141 12.909 5.744 -5.874 1.00 74.11 N ATOM 2089 CA LYS A 141 14.035 5.505 -6.789 1.00 70.34 C ATOM 2090 C LYS A 141 13.601 5.300 -8.244 1.00 53.10 C ATOM 2091 O LYS A 141 14.296 5.738 -9.167 1.00 73.11 O ATOM 2092 CB LYS A 141 14.893 4.342 -6.342 1.00 41.12 C ATOM 2093 CG LYS A 141 15.728 4.591 -5.096 1.00 34.24 C ATOM 2094 CD LYS A 141 16.596 3.373 -4.770 1.00 72.12 C ATOM 2095 CE LYS A 141 17.547 3.028 -5.923 1.00 21.12 C ATOM 2096 NZ LYS A 141 18.347 1.819 -5.647 1.00 45.42 N ATOM 0 H LYS A 141 12.854 5.099 -5.086 1.00 74.11 H new ATOM 0 HA LYS A 141 14.629 6.418 -6.750 1.00 70.34 H new ATOM 0 HB2 LYS A 141 14.246 3.484 -6.160 1.00 41.12 H new ATOM 0 HB3 LYS A 141 15.562 4.070 -7.159 1.00 41.12 H new ATOM 0 HG2 LYS A 141 16.362 5.465 -5.246 1.00 34.24 H new ATOM 0 HG3 LYS A 141 15.074 4.813 -4.253 1.00 34.24 H new ATOM 0 HD2 LYS A 141 17.175 3.570 -3.868 1.00 72.12 H new ATOM 0 HD3 LYS A 141 15.956 2.517 -4.558 1.00 72.12 H new ATOM 0 HE2 LYS A 141 16.969 2.878 -6.835 1.00 21.12 H new ATOM 0 HE3 LYS A 141 18.215 3.870 -6.104 1.00 21.12 H new ATOM 0 HZ1 LYS A 141 18.974 1.626 -6.454 1.00 45.42 H new ATOM 0 HZ2 LYS A 141 18.919 1.969 -4.792 1.00 45.42 H new ATOM 0 HZ3 LYS A 141 17.712 1.009 -5.500 1.00 45.42 H new ATOM 2110 N LYS A 142 12.454 4.667 -8.448 1.00 61.11 N ATOM 2111 CA LYS A 142 11.941 4.422 -9.803 1.00 52.24 C ATOM 2112 C LYS A 142 11.584 5.749 -10.435 1.00 5.33 C ATOM 2113 O LYS A 142 11.779 5.974 -11.633 1.00 74.33 O ATOM 2114 CB LYS A 142 10.664 3.576 -9.734 1.00 73.54 C ATOM 2115 CG LYS A 142 10.029 3.117 -11.081 1.00 73.53 C ATOM 2116 CD LYS A 142 10.813 2.028 -11.863 1.00 32.04 C ATOM 2117 CE LYS A 142 12.123 2.506 -12.489 1.00 63.30 C ATOM 2118 NZ LYS A 142 11.926 3.633 -13.439 1.00 14.15 N ATOM 0 H LYS A 142 11.858 4.312 -7.700 1.00 61.11 H new ATOM 0 HA LYS A 142 12.702 3.901 -10.384 1.00 52.24 H new ATOM 0 HB2 LYS A 142 10.883 2.685 -9.145 1.00 73.54 H new ATOM 0 HB3 LYS A 142 9.913 4.145 -9.185 1.00 73.54 H new ATOM 0 HG2 LYS A 142 9.026 2.741 -10.878 1.00 73.53 H new ATOM 0 HG3 LYS A 142 9.918 3.990 -11.724 1.00 73.53 H new ATOM 0 HD2 LYS A 142 11.030 1.201 -11.187 1.00 32.04 H new ATOM 0 HD3 LYS A 142 10.172 1.635 -12.652 1.00 32.04 H new ATOM 0 HE2 LYS A 142 12.806 2.817 -11.699 1.00 63.30 H new ATOM 0 HE3 LYS A 142 12.596 1.674 -13.011 1.00 63.30 H new ATOM 0 HZ1 LYS A 142 12.814 3.818 -13.947 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 11.182 3.385 -14.122 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 11.644 4.485 -12.913 1.00 14.15 H new ATOM 2132 N PHE A 143 11.081 6.602 -9.603 1.00 74.15 N ATOM 2133 CA PHE A 143 10.571 7.885 -9.964 1.00 35.03 C ATOM 2134 C PHE A 143 11.724 8.878 -10.217 1.00 63.34 C ATOM 2135 O PHE A 143 11.654 9.714 -11.120 1.00 42.23 O ATOM 2136 CB PHE A 143 9.684 8.345 -8.811 1.00 61.11 C ATOM 2137 CG PHE A 143 8.794 9.474 -9.116 1.00 53.33 C ATOM 2138 CD1 PHE A 143 7.656 9.247 -9.839 1.00 34.31 C ATOM 2139 CD2 PHE A 143 9.071 10.750 -8.669 1.00 74.35 C ATOM 2140 CE1 PHE A 143 6.786 10.276 -10.127 1.00 50.14 C ATOM 2141 CE2 PHE A 143 8.213 11.791 -8.949 1.00 23.33 C ATOM 2142 CZ PHE A 143 7.067 11.554 -9.683 1.00 32.21 C ATOM 0 H PHE A 143 11.011 6.413 -8.603 1.00 74.15 H new ATOM 0 HA PHE A 143 9.997 7.834 -10.890 1.00 35.03 H new ATOM 0 HB2 PHE A 143 9.076 7.502 -8.484 1.00 61.11 H new ATOM 0 HB3 PHE A 143 10.322 8.623 -7.972 1.00 61.11 H new ATOM 0 HD1 PHE A 143 7.436 8.249 -10.189 1.00 34.31 H new ATOM 0 HD2 PHE A 143 9.967 10.934 -8.095 1.00 74.35 H new ATOM 0 HE1 PHE A 143 5.889 10.085 -10.697 1.00 50.14 H new ATOM 0 HE2 PHE A 143 8.435 12.787 -8.596 1.00 23.33 H new ATOM 0 HZ PHE A 143 6.392 12.366 -9.909 1.00 32.21 H new ATOM 2152 N ILE A 144 12.787 8.740 -9.432 1.00 2.43 N ATOM 2153 CA ILE A 144 13.955 9.629 -9.491 1.00 52.25 C ATOM 2154 C ILE A 144 14.662 9.604 -10.845 1.00 13.50 C ATOM 2155 O ILE A 144 15.179 10.615 -11.264 1.00 71.10 O ATOM 2156 CB ILE A 144 14.993 9.351 -8.338 1.00 2.11 C ATOM 2157 CG1 ILE A 144 14.336 9.512 -6.977 1.00 44.22 C ATOM 2158 CG2 ILE A 144 16.195 10.297 -8.417 1.00 65.51 C ATOM 2159 CD1 ILE A 144 13.787 10.903 -6.716 1.00 42.22 C ATOM 0 H ILE A 144 12.869 8.005 -8.730 1.00 2.43 H new ATOM 0 HA ILE A 144 13.546 10.629 -9.347 1.00 52.25 H new ATOM 0 HB ILE A 144 15.342 8.326 -8.466 1.00 2.11 H new ATOM 0 HG12 ILE A 144 13.524 8.790 -6.889 1.00 44.22 H new ATOM 0 HG13 ILE A 144 15.064 9.269 -6.203 1.00 44.22 H new ATOM 0 HG21 ILE A 144 16.888 10.074 -7.606 1.00 65.51 H new ATOM 0 HG22 ILE A 144 16.701 10.163 -9.373 1.00 65.51 H new ATOM 0 HG23 ILE A 144 15.853 11.328 -8.329 1.00 65.51 H new ATOM 0 HD11 ILE A 144 13.335 10.936 -5.725 1.00 42.22 H new ATOM 0 HD12 ILE A 144 14.597 11.630 -6.769 1.00 42.22 H new ATOM 0 HD13 ILE A 144 13.034 11.144 -7.466 1.00 42.22 H new ATOM 2171 N GLU A 145 14.663 8.461 -11.531 1.00 14.43 N ATOM 2172 CA GLU A 145 15.418 8.317 -12.799 1.00 71.12 C ATOM 2173 C GLU A 145 15.122 9.410 -13.818 1.00 53.32 C ATOM 2174 O GLU A 145 16.047 9.929 -14.455 1.00 4.23 O ATOM 2175 CB GLU A 145 15.200 6.975 -13.451 1.00 2.11 C ATOM 2176 CG GLU A 145 15.586 5.800 -12.610 1.00 33.45 C ATOM 2177 CD GLU A 145 15.557 4.542 -13.410 1.00 24.44 C ATOM 2178 OE1 GLU A 145 14.480 4.156 -13.876 1.00 51.01 O ATOM 2179 OE2 GLU A 145 16.633 3.953 -13.631 1.00 63.30 O ATOM 0 H GLU A 145 14.158 7.623 -11.243 1.00 14.43 H new ATOM 0 HA GLU A 145 16.461 8.410 -12.496 1.00 71.12 H new ATOM 0 HB2 GLU A 145 14.147 6.883 -13.718 1.00 2.11 H new ATOM 0 HB3 GLU A 145 15.769 6.941 -14.380 1.00 2.11 H new ATOM 0 HG2 GLU A 145 16.585 5.953 -12.201 1.00 33.45 H new ATOM 0 HG3 GLU A 145 14.904 5.714 -11.764 1.00 33.45 H new ATOM 2186 N THR A 146 13.864 9.771 -13.965 1.00 21.14 N ATOM 2187 CA THR A 146 13.513 10.784 -14.915 1.00 11.23 C ATOM 2188 C THR A 146 14.005 12.151 -14.423 1.00 40.00 C ATOM 2189 O THR A 146 14.440 12.987 -15.208 1.00 32.42 O ATOM 2190 CB THR A 146 11.992 10.802 -15.246 1.00 62.04 C ATOM 2191 OG1 THR A 146 11.768 11.649 -16.359 1.00 74.22 O ATOM 2192 CG2 THR A 146 11.151 11.291 -14.077 1.00 3.11 C ATOM 0 H THR A 146 13.082 9.378 -13.441 1.00 21.14 H new ATOM 0 HA THR A 146 14.013 10.546 -15.854 1.00 11.23 H new ATOM 0 HB THR A 146 11.692 9.778 -15.467 1.00 62.04 H new ATOM 0 HG1 THR A 146 10.812 11.663 -16.573 1.00 74.22 H new ATOM 0 HG21 THR A 146 10.098 11.285 -14.359 1.00 3.11 H new ATOM 0 HG22 THR A 146 11.301 10.634 -13.221 1.00 3.11 H new ATOM 0 HG23 THR A 146 11.450 12.305 -13.813 1.00 3.11 H new ATOM 2200 N PHE A 147 13.991 12.339 -13.109 1.00 54.42 N ATOM 2201 CA PHE A 147 14.496 13.545 -12.505 1.00 51.10 C ATOM 2202 C PHE A 147 15.988 13.616 -12.577 1.00 5.44 C ATOM 2203 O PHE A 147 16.542 14.694 -12.662 1.00 35.23 O ATOM 2204 CB PHE A 147 13.971 13.771 -11.093 1.00 33.34 C ATOM 2205 CG PHE A 147 12.555 14.216 -11.097 1.00 63.33 C ATOM 2206 CD1 PHE A 147 12.268 15.540 -11.349 1.00 2.43 C ATOM 2207 CD2 PHE A 147 11.514 13.335 -10.873 1.00 14.14 C ATOM 2208 CE1 PHE A 147 10.981 15.992 -11.384 1.00 12.33 C ATOM 2209 CE2 PHE A 147 10.207 13.780 -10.902 1.00 50.42 C ATOM 2210 CZ PHE A 147 9.938 15.113 -11.159 1.00 21.40 C ATOM 0 H PHE A 147 13.629 11.657 -12.443 1.00 54.42 H new ATOM 0 HA PHE A 147 14.106 14.372 -13.098 1.00 51.10 H new ATOM 0 HB2 PHE A 147 14.061 12.848 -10.520 1.00 33.34 H new ATOM 0 HB3 PHE A 147 14.586 14.519 -10.592 1.00 33.34 H new ATOM 0 HD1 PHE A 147 13.078 16.234 -11.522 1.00 2.43 H new ATOM 0 HD2 PHE A 147 11.723 12.294 -10.674 1.00 14.14 H new ATOM 0 HE1 PHE A 147 10.778 17.033 -11.587 1.00 12.33 H new ATOM 0 HE2 PHE A 147 9.396 13.089 -10.724 1.00 50.42 H new ATOM 0 HZ PHE A 147 8.917 15.465 -11.184 1.00 21.40 H new ATOM 2220 N LYS A 148 16.641 12.461 -12.559 1.00 4.21 N ATOM 2221 CA LYS A 148 18.072 12.411 -12.749 1.00 34.11 C ATOM 2222 C LYS A 148 18.393 13.004 -14.115 1.00 60.45 C ATOM 2223 O LYS A 148 19.372 13.710 -14.280 1.00 65.11 O ATOM 2224 CB LYS A 148 18.621 10.976 -12.643 1.00 72.22 C ATOM 2225 CG LYS A 148 18.372 10.325 -11.290 1.00 32.30 C ATOM 2226 CD LYS A 148 18.924 8.901 -11.206 1.00 45.31 C ATOM 2227 CE LYS A 148 20.447 8.850 -11.322 1.00 23.44 C ATOM 2228 NZ LYS A 148 21.140 9.547 -10.210 1.00 13.24 N ATOM 0 H LYS A 148 16.198 11.553 -12.415 1.00 4.21 H new ATOM 0 HA LYS A 148 18.553 12.987 -11.959 1.00 34.11 H new ATOM 0 HB2 LYS A 148 18.165 10.363 -13.421 1.00 72.22 H new ATOM 0 HB3 LYS A 148 19.693 10.991 -12.837 1.00 72.22 H new ATOM 0 HG2 LYS A 148 18.829 10.933 -10.510 1.00 32.30 H new ATOM 0 HG3 LYS A 148 17.300 10.306 -11.093 1.00 32.30 H new ATOM 0 HD2 LYS A 148 18.621 8.454 -10.259 1.00 45.31 H new ATOM 0 HD3 LYS A 148 18.483 8.298 -11.999 1.00 45.31 H new ATOM 0 HE2 LYS A 148 20.769 7.809 -11.347 1.00 23.44 H new ATOM 0 HE3 LYS A 148 20.748 9.299 -12.268 1.00 23.44 H new ATOM 0 HZ1 LYS A 148 22.165 9.392 -10.288 1.00 13.24 H new ATOM 0 HZ2 LYS A 148 20.939 10.566 -10.260 1.00 13.24 H new ATOM 0 HZ3 LYS A 148 20.802 9.172 -9.301 1.00 13.24 H new ATOM 2242 N LYS A 149 17.518 12.736 -15.083 1.00 44.34 N ATOM 2243 CA LYS A 149 17.645 13.300 -16.414 1.00 55.24 C ATOM 2244 C LYS A 149 17.262 14.757 -16.454 1.00 22.30 C ATOM 2245 O LYS A 149 17.874 15.532 -17.167 1.00 53.41 O ATOM 2246 CB LYS A 149 16.914 12.477 -17.476 1.00 64.03 C ATOM 2247 CG LYS A 149 17.762 11.364 -18.061 1.00 15.10 C ATOM 2248 CD LYS A 149 18.885 11.968 -18.907 1.00 53.33 C ATOM 2249 CE LYS A 149 19.836 10.924 -19.454 1.00 74.43 C ATOM 2250 NZ LYS A 149 20.829 11.541 -20.363 1.00 55.24 N ATOM 0 H LYS A 149 16.709 12.126 -14.963 1.00 44.34 H new ATOM 0 HA LYS A 149 18.704 13.248 -16.668 1.00 55.24 H new ATOM 0 HB2 LYS A 149 16.014 12.046 -17.036 1.00 64.03 H new ATOM 0 HB3 LYS A 149 16.591 13.139 -18.280 1.00 64.03 H new ATOM 0 HG2 LYS A 149 18.183 10.754 -17.261 1.00 15.10 H new ATOM 0 HG3 LYS A 149 17.145 10.706 -18.673 1.00 15.10 H new ATOM 0 HD2 LYS A 149 18.449 12.525 -19.736 1.00 53.33 H new ATOM 0 HD3 LYS A 149 19.445 12.682 -18.303 1.00 53.33 H new ATOM 0 HE2 LYS A 149 20.349 10.427 -18.631 1.00 74.43 H new ATOM 0 HE3 LYS A 149 19.274 10.158 -19.988 1.00 74.43 H new ATOM 0 HZ1 LYS A 149 21.569 10.847 -20.592 1.00 55.24 H new ATOM 0 HZ2 LYS A 149 20.357 11.845 -21.238 1.00 55.24 H new ATOM 0 HZ3 LYS A 149 21.260 12.365 -19.898 1.00 55.24 H new ATOM 2264 N ILE A 150 16.264 15.129 -15.689 1.00 54.24 N ATOM 2265 CA ILE A 150 15.860 16.523 -15.592 1.00 63.54 C ATOM 2266 C ILE A 150 17.000 17.363 -14.990 1.00 33.33 C ATOM 2267 O ILE A 150 17.307 18.446 -15.474 1.00 0.35 O ATOM 2268 CB ILE A 150 14.525 16.672 -14.793 1.00 43.44 C ATOM 2269 CG1 ILE A 150 13.413 15.940 -15.560 1.00 22.33 C ATOM 2270 CG2 ILE A 150 14.162 18.143 -14.592 1.00 51.03 C ATOM 2271 CD1 ILE A 150 12.098 15.868 -14.839 1.00 25.13 C ATOM 0 H ILE A 150 15.711 14.488 -15.120 1.00 54.24 H new ATOM 0 HA ILE A 150 15.663 16.903 -16.594 1.00 63.54 H new ATOM 0 HB ILE A 150 14.646 16.232 -13.803 1.00 43.44 H new ATOM 0 HG12 ILE A 150 13.261 16.439 -16.517 1.00 22.33 H new ATOM 0 HG13 ILE A 150 13.748 14.926 -15.779 1.00 22.33 H new ATOM 0 HG21 ILE A 150 13.229 18.214 -14.033 1.00 51.03 H new ATOM 0 HG22 ILE A 150 14.957 18.641 -14.037 1.00 51.03 H new ATOM 0 HG23 ILE A 150 14.041 18.624 -15.563 1.00 51.03 H new ATOM 0 HD11 ILE A 150 11.374 15.335 -15.455 1.00 25.13 H new ATOM 0 HD12 ILE A 150 12.229 15.340 -13.894 1.00 25.13 H new ATOM 0 HD13 ILE A 150 11.735 16.877 -14.643 1.00 25.13 H new ATOM 2283 N MET A 151 17.655 16.819 -13.975 1.00 11.12 N ATOM 2284 CA MET A 151 18.808 17.476 -13.348 1.00 32.24 C ATOM 2285 C MET A 151 19.969 17.535 -14.341 1.00 70.11 C ATOM 2286 O MET A 151 20.669 18.536 -14.433 1.00 1.23 O ATOM 2287 CB MET A 151 19.259 16.710 -12.104 1.00 21.11 C ATOM 2288 CG MET A 151 18.228 16.604 -10.996 1.00 61.35 C ATOM 2289 SD MET A 151 18.816 15.591 -9.619 1.00 54.51 S ATOM 2290 CE MET A 151 17.370 15.585 -8.561 1.00 44.05 C ATOM 0 H MET A 151 17.411 15.919 -13.561 1.00 11.12 H new ATOM 0 HA MET A 151 18.510 18.483 -13.057 1.00 32.24 H new ATOM 0 HB2 MET A 151 19.550 15.703 -12.404 1.00 21.11 H new ATOM 0 HB3 MET A 151 20.150 17.194 -11.703 1.00 21.11 H new ATOM 0 HG2 MET A 151 17.982 17.602 -10.633 1.00 61.35 H new ATOM 0 HG3 MET A 151 17.309 16.175 -11.396 1.00 61.35 H new ATOM 0 HE1 MET A 151 17.576 14.998 -7.666 1.00 44.05 H new ATOM 0 HE2 MET A 151 17.124 16.608 -8.275 1.00 44.05 H new ATOM 0 HE3 MET A 151 16.529 15.145 -9.097 1.00 44.05 H new ATOM 2300 N GLU A 152 20.148 16.442 -15.083 1.00 13.30 N ATOM 2301 CA GLU A 152 21.160 16.290 -16.089 1.00 3.02 C ATOM 2302 C GLU A 152 20.941 17.328 -17.211 1.00 33.10 C ATOM 2303 O GLU A 152 21.891 17.859 -17.772 1.00 44.12 O ATOM 2304 CB GLU A 152 21.032 14.840 -16.564 1.00 30.01 C ATOM 2305 CG GLU A 152 22.190 14.232 -17.287 1.00 2.25 C ATOM 2306 CD GLU A 152 22.294 14.587 -18.742 1.00 13.13 C ATOM 2307 OE1 GLU A 152 21.573 13.971 -19.544 1.00 22.52 O ATOM 2308 OE2 GLU A 152 23.124 15.425 -19.108 1.00 33.44 O ATOM 0 H GLU A 152 19.560 15.614 -14.984 1.00 13.30 H new ATOM 0 HA GLU A 152 22.171 16.473 -15.724 1.00 3.02 H new ATOM 0 HB2 GLU A 152 20.821 14.221 -15.692 1.00 30.01 H new ATOM 0 HB3 GLU A 152 20.161 14.779 -17.217 1.00 30.01 H new ATOM 0 HG2 GLU A 152 23.110 14.538 -16.788 1.00 2.25 H new ATOM 0 HG3 GLU A 152 22.124 13.148 -17.198 1.00 2.25 H new ATOM 2315 N CYS A 153 19.679 17.634 -17.488 1.00 55.22 N ATOM 2316 CA CYS A 153 19.333 18.655 -18.466 1.00 42.43 C ATOM 2317 C CYS A 153 19.669 20.048 -17.930 1.00 25.45 C ATOM 2318 O CYS A 153 20.064 20.940 -18.691 1.00 32.21 O ATOM 2319 CB CYS A 153 17.848 18.584 -18.840 1.00 70.30 C ATOM 2320 SG CYS A 153 17.332 17.028 -19.599 1.00 12.14 S ATOM 0 H CYS A 153 18.876 17.187 -17.046 1.00 55.22 H new ATOM 0 HA CYS A 153 19.923 18.467 -19.363 1.00 42.43 H new ATOM 0 HB2 CYS A 153 17.253 18.749 -17.942 1.00 70.30 H new ATOM 0 HB3 CYS A 153 17.621 19.400 -19.526 1.00 70.30 H new ATOM 0 HG CYS A 153 17.571 16.046 -18.781 1.00 12.14 H new ATOM 2326 N LYS A 154 19.521 20.235 -16.621 1.00 20.32 N ATOM 2327 CA LYS A 154 19.819 21.518 -15.996 1.00 51.35 C ATOM 2328 C LYS A 154 21.329 21.713 -15.944 1.00 5.23 C ATOM 2329 O LYS A 154 21.849 22.782 -16.298 1.00 10.13 O ATOM 2330 CB LYS A 154 19.256 21.570 -14.568 1.00 22.11 C ATOM 2331 CG LYS A 154 17.756 21.327 -14.452 1.00 0.14 C ATOM 2332 CD LYS A 154 16.938 22.361 -15.200 1.00 30.03 C ATOM 2333 CE LYS A 154 15.441 22.076 -15.082 1.00 71.12 C ATOM 2334 NZ LYS A 154 14.962 22.082 -13.676 1.00 2.21 N ATOM 0 H LYS A 154 19.197 19.515 -15.975 1.00 20.32 H new ATOM 0 HA LYS A 154 19.356 22.309 -16.586 1.00 51.35 H new ATOM 0 HB2 LYS A 154 19.776 20.828 -13.963 1.00 22.11 H new ATOM 0 HB3 LYS A 154 19.484 22.546 -14.140 1.00 22.11 H new ATOM 0 HG2 LYS A 154 17.522 20.335 -14.838 1.00 0.14 H new ATOM 0 HG3 LYS A 154 17.471 21.335 -13.400 1.00 0.14 H new ATOM 0 HD2 LYS A 154 17.154 23.354 -14.805 1.00 30.03 H new ATOM 0 HD3 LYS A 154 17.228 22.366 -16.251 1.00 30.03 H new ATOM 0 HE2 LYS A 154 14.888 22.822 -15.652 1.00 71.12 H new ATOM 0 HE3 LYS A 154 15.224 21.107 -15.531 1.00 71.12 H new ATOM 0 HZ1 LYS A 154 13.922 22.070 -13.663 1.00 2.21 H new ATOM 0 HZ2 LYS A 154 15.324 21.241 -13.182 1.00 2.21 H new ATOM 0 HZ3 LYS A 154 15.304 22.939 -13.196 1.00 2.21 H new