USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 528 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 43 SER OG : rot 180:sc= -0.0894 USER MOD Set 1.2: A 46 GLN : amide:sc= -0.0885 X(o=-0.18,f=-0.64) USER MOD Set 2.1: A 37 SER OG : rot -137:sc= 1.17 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -129:sc= 0.112 (180deg=-0.109) USER MOD Set 2.3: A 72 GLN : amide:sc= 1.18 K(o=2.5,f=-1) USER MOD Single : A 7 THR OG1 : rot -130:sc= 0.568 USER MOD Single : A 8 GLN : amide:sc= -0.193 K(o=-0.19,f=-5.6!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.47 USER MOD Single : A 10 GLN : amide:sc= -0.0964 K(o=-0.096,f=-0.88) USER MOD Single : A 17 ASN : amide:sc= -2.3! K(o=-2.3!,f=-0.075) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0.057) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 35 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.012) USER MOD Single : A 36 TYR OH : rot 34:sc= -0.716! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.707 K(o=-0.71,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.11) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.292 K(o=0.29,f=-0.49) USER MOD Single : A 54 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.097) USER MOD Single : A 56 MET CE :methyl 159:sc= -0.236 (180deg=-0.842) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 144:sc= 1.26 (180deg=1.19) USER MOD Single : A 65 ASN : amide:sc= 0.0161 X(o=0.016,f=0) USER MOD Single : A 70 GLN : amide:sc= -2.08! K(o=-2.1!,f=-0.5) USER MOD Single : A 73 THR OG1 : rot -150:sc= -0.636 USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 -11.200 -3.680 -11.203 1.00 31.41 N ATOM 83 CA THR A 7 -11.852 -4.972 -11.306 1.00 35.31 C ATOM 84 C THR A 7 -13.066 -4.860 -12.234 1.00 31.42 C ATOM 85 O THR A 7 -13.336 -3.783 -12.773 1.00 72.04 O ATOM 86 CB THR A 7 -12.263 -5.488 -9.901 1.00 54.51 C ATOM 87 OG1 THR A 7 -13.028 -6.698 -9.993 1.00 5.41 O ATOM 88 CG2 THR A 7 -13.048 -4.430 -9.138 1.00 10.33 C ATOM 0 HA THR A 7 -11.156 -5.695 -11.731 1.00 35.31 H new ATOM 0 HB THR A 7 -11.346 -5.703 -9.353 1.00 54.51 H new ATOM 0 HG1 THR A 7 -13.846 -6.609 -9.461 1.00 5.41 H new ATOM 0 HG21 THR A 7 -13.323 -4.818 -8.157 1.00 10.33 H new ATOM 0 HG22 THR A 7 -12.433 -3.538 -9.016 1.00 10.33 H new ATOM 0 HG23 THR A 7 -13.950 -4.175 -9.694 1.00 10.33 H new ATOM 96 N GLN A 8 -13.774 -5.965 -12.441 1.00 3.23 N ATOM 97 CA GLN A 8 -14.962 -5.982 -13.291 1.00 50.02 C ATOM 98 C GLN A 8 -16.131 -5.291 -12.584 1.00 1.14 C ATOM 99 O GLN A 8 -17.190 -5.885 -12.380 1.00 72.35 O ATOM 100 CB GLN A 8 -15.350 -7.423 -13.657 1.00 43.14 C ATOM 101 CG GLN A 8 -14.427 -8.104 -14.664 1.00 33.25 C ATOM 102 CD GLN A 8 -13.061 -8.462 -14.102 1.00 53.30 C ATOM 103 OE1 GLN A 8 -12.871 -9.540 -13.541 1.00 54.41 O ATOM 104 NE2 GLN A 8 -12.091 -7.579 -14.279 1.00 54.35 N ATOM 0 H GLN A 8 -13.544 -6.869 -12.028 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.731 -5.441 -14.209 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -15.372 -8.020 -12.745 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -16.363 -7.419 -14.060 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -14.909 -9.012 -15.028 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.295 -7.447 -15.523 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -12.286 -6.695 -14.749 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -11.149 -7.783 -13.946 1.00 54.35 H new ATOM 113 N SER A 9 -15.931 -4.027 -12.233 1.00 52.14 N ATOM 114 CA SER A 9 -16.874 -3.281 -11.415 1.00 2.52 C ATOM 115 C SER A 9 -18.207 -3.041 -12.115 1.00 0.31 C ATOM 116 O SER A 9 -19.212 -2.820 -11.452 1.00 54.11 O ATOM 117 CB SER A 9 -16.250 -1.959 -10.983 1.00 33.54 C ATOM 118 OG SER A 9 -15.098 -2.195 -10.194 1.00 75.12 O ATOM 0 H SER A 9 -15.108 -3.491 -12.509 1.00 52.14 H new ATOM 0 HA SER A 9 -17.092 -3.889 -10.537 1.00 2.52 H new ATOM 0 HB2 SER A 9 -15.984 -1.370 -11.861 1.00 33.54 H new ATOM 0 HB3 SER A 9 -16.975 -1.375 -10.416 1.00 33.54 H new ATOM 0 HG SER A 9 -14.705 -1.339 -9.924 1.00 75.12 H new ATOM 124 N GLN A 10 -18.229 -3.087 -13.442 1.00 65.43 N ATOM 125 CA GLN A 10 -19.493 -2.953 -14.161 1.00 50.30 C ATOM 126 C GLN A 10 -20.363 -4.170 -13.888 1.00 24.22 C ATOM 127 O GLN A 10 -21.570 -4.052 -13.680 1.00 13.03 O ATOM 128 CB GLN A 10 -19.265 -2.794 -15.663 1.00 3.51 C ATOM 129 CG GLN A 10 -18.564 -1.501 -16.051 1.00 31.21 C ATOM 130 CD GLN A 10 -19.393 -0.270 -15.741 1.00 30.13 C ATOM 131 OE1 GLN A 10 -20.626 -0.318 -15.742 1.00 43.14 O ATOM 132 NE2 GLN A 10 -18.722 0.839 -15.482 1.00 21.05 N ATOM 0 H GLN A 10 -17.407 -3.213 -14.032 1.00 65.43 H new ATOM 0 HA GLN A 10 -19.998 -2.055 -13.806 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -18.674 -3.637 -16.021 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -20.227 -2.840 -16.173 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -17.613 -1.436 -15.523 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -18.336 -1.522 -17.117 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -17.702 0.832 -15.492 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -19.224 1.702 -15.272 1.00 21.05 H new ATOM 141 N LEU A 11 -19.730 -5.336 -13.860 1.00 1.21 N ATOM 142 CA LEU A 11 -20.423 -6.579 -13.556 1.00 12.41 C ATOM 143 C LEU A 11 -20.799 -6.598 -12.077 1.00 54.11 C ATOM 144 O LEU A 11 -21.921 -6.953 -11.716 1.00 71.13 O ATOM 145 CB LEU A 11 -19.524 -7.769 -13.922 1.00 53.43 C ATOM 146 CG LEU A 11 -20.191 -9.155 -13.949 1.00 4.24 C ATOM 147 CD1 LEU A 11 -20.379 -9.714 -12.547 1.00 55.21 C ATOM 148 CD2 LEU A 11 -21.524 -9.092 -14.680 1.00 61.15 C ATOM 0 H LEU A 11 -18.733 -5.446 -14.045 1.00 1.21 H new ATOM 0 HA LEU A 11 -21.339 -6.654 -14.142 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -19.092 -7.580 -14.905 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -18.698 -7.803 -13.212 1.00 53.43 H new ATOM 0 HG LEU A 11 -19.526 -9.830 -14.488 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -20.853 -10.694 -12.606 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -19.408 -9.809 -12.060 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -21.011 -9.040 -11.968 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -21.981 -10.081 -14.689 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -22.186 -8.391 -14.171 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -21.362 -8.758 -15.705 1.00 61.15 H new ATOM 160 N GLU A 12 -19.857 -6.193 -11.230 1.00 14.13 N ATOM 161 CA GLU A 12 -20.100 -6.091 -9.796 1.00 13.33 C ATOM 162 C GLU A 12 -21.282 -5.162 -9.526 1.00 23.45 C ATOM 163 O GLU A 12 -22.229 -5.526 -8.827 1.00 35.24 O ATOM 164 CB GLU A 12 -18.847 -5.569 -9.092 1.00 72.23 C ATOM 165 CG GLU A 12 -17.622 -6.445 -9.307 1.00 2.41 C ATOM 166 CD GLU A 12 -16.342 -5.787 -8.829 1.00 74.31 C ATOM 167 OE1 GLU A 12 -16.284 -4.538 -8.801 1.00 23.41 O ATOM 168 OE2 GLU A 12 -15.382 -6.515 -8.502 1.00 33.12 O ATOM 0 H GLU A 12 -18.914 -5.929 -11.515 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.339 -7.081 -9.406 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -18.631 -4.562 -9.450 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.046 -5.492 -8.023 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -17.759 -7.390 -8.781 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -17.531 -6.681 -10.367 1.00 2.41 H new ATOM 175 N LEU A 13 -21.224 -3.969 -10.107 1.00 24.43 N ATOM 176 CA LEU A 13 -22.300 -2.992 -9.987 1.00 1.43 C ATOM 177 C LEU A 13 -23.616 -3.587 -10.474 1.00 31.21 C ATOM 178 O LEU A 13 -24.651 -3.422 -9.831 1.00 4.34 O ATOM 179 CB LEU A 13 -21.939 -1.724 -10.776 1.00 73.45 C ATOM 180 CG LEU A 13 -23.061 -0.703 -10.979 1.00 63.21 C ATOM 181 CD1 LEU A 13 -22.506 0.711 -10.882 1.00 44.11 C ATOM 182 CD2 LEU A 13 -23.724 -0.916 -12.337 1.00 50.21 C ATOM 0 H LEU A 13 -20.435 -3.653 -10.671 1.00 24.43 H new ATOM 0 HA LEU A 13 -22.425 -2.723 -8.938 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -21.114 -1.227 -10.265 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -21.571 -2.026 -11.757 1.00 73.45 H new ATOM 0 HG LEU A 13 -23.808 -0.841 -10.198 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -23.313 1.429 -11.028 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -22.061 0.860 -9.898 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -21.747 0.857 -11.650 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -24.521 -0.185 -12.472 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -22.983 -0.795 -13.127 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -24.143 -1.921 -12.384 1.00 50.21 H new ATOM 194 N LEU A 14 -23.559 -4.305 -11.592 1.00 72.01 N ATOM 195 CA LEU A 14 -24.744 -4.939 -12.160 1.00 3.52 C ATOM 196 C LEU A 14 -25.385 -5.878 -11.137 1.00 71.02 C ATOM 197 O LEU A 14 -26.586 -5.801 -10.887 1.00 70.32 O ATOM 198 CB LEU A 14 -24.370 -5.697 -13.448 1.00 33.20 C ATOM 199 CG LEU A 14 -25.534 -6.089 -14.368 1.00 40.12 C ATOM 200 CD1 LEU A 14 -25.021 -6.362 -15.773 1.00 54.01 C ATOM 201 CD2 LEU A 14 -26.262 -7.318 -13.841 1.00 11.21 C ATOM 0 H LEU A 14 -22.703 -4.462 -12.123 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.473 -4.169 -12.415 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.676 -5.080 -14.019 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.835 -6.604 -13.168 1.00 33.20 H new ATOM 0 HG LEU A 14 -26.237 -5.257 -14.393 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -25.855 -6.639 -16.417 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -24.541 -5.465 -16.166 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -24.298 -7.177 -15.744 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -27.081 -7.572 -14.514 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -25.567 -8.156 -13.784 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -26.659 -7.108 -12.848 1.00 11.21 H new ATOM 213 N ILE A 15 -24.572 -6.739 -10.530 1.00 13.25 N ATOM 214 CA ILE A 15 -25.056 -7.686 -9.526 1.00 24.23 C ATOM 215 C ILE A 15 -25.689 -6.951 -8.342 1.00 61.32 C ATOM 216 O ILE A 15 -26.790 -7.288 -7.908 1.00 75.31 O ATOM 217 CB ILE A 15 -23.911 -8.596 -9.013 1.00 33.14 C ATOM 218 CG1 ILE A 15 -23.284 -9.378 -10.173 1.00 70.34 C ATOM 219 CG2 ILE A 15 -24.407 -9.556 -7.932 1.00 52.02 C ATOM 220 CD1 ILE A 15 -24.266 -10.262 -10.914 1.00 63.52 C ATOM 0 H ILE A 15 -23.571 -6.801 -10.716 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.811 -8.308 -10.007 1.00 24.23 H new ATOM 0 HB ILE A 15 -23.149 -7.954 -8.570 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -22.841 -8.673 -10.877 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -22.473 -9.995 -9.787 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -23.580 -10.180 -7.593 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.799 -8.985 -7.091 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -25.195 -10.188 -8.341 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -23.750 -10.783 -11.720 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -24.691 -10.991 -10.224 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -25.065 -9.649 -11.331 1.00 63.52 H new ATOM 232 N ARG A 16 -24.998 -5.929 -7.845 1.00 32.24 N ATOM 233 CA ARG A 16 -25.466 -5.170 -6.684 1.00 15.30 C ATOM 234 C ARG A 16 -26.748 -4.402 -7.001 1.00 74.23 C ATOM 235 O ARG A 16 -27.643 -4.295 -6.161 1.00 15.23 O ATOM 236 CB ARG A 16 -24.388 -4.186 -6.211 1.00 23.14 C ATOM 237 CG ARG A 16 -24.836 -3.288 -5.062 1.00 71.35 C ATOM 238 CD ARG A 16 -25.042 -4.071 -3.775 1.00 63.11 C ATOM 239 NE ARG A 16 -23.776 -4.415 -3.133 1.00 73.55 N ATOM 240 CZ ARG A 16 -23.642 -5.347 -2.189 1.00 72.42 C ATOM 241 NH1 ARG A 16 -24.687 -6.054 -1.788 1.00 4.32 N ATOM 242 NH2 ARG A 16 -22.455 -5.571 -1.639 1.00 75.13 N ATOM 0 H ARG A 16 -24.110 -5.605 -8.228 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.676 -5.887 -5.890 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.508 -4.748 -5.899 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -24.085 -3.561 -7.051 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -24.090 -2.510 -4.898 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -25.765 -2.787 -5.334 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -25.649 -3.483 -3.087 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -25.598 -4.983 -3.991 1.00 63.11 H new ATOM 0 HE ARG A 16 -22.940 -3.909 -3.426 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -25.604 -5.888 -2.202 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -24.575 -6.765 -1.065 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -21.644 -5.030 -1.938 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -22.354 -6.284 -0.917 1.00 75.13 H new ATOM 256 N ASN A 17 -26.830 -3.863 -8.210 1.00 21.01 N ATOM 257 CA ASN A 17 -27.971 -3.039 -8.596 1.00 71.44 C ATOM 258 C ASN A 17 -29.161 -3.902 -8.997 1.00 24.13 C ATOM 259 O ASN A 17 -30.306 -3.455 -8.949 1.00 64.41 O ATOM 260 CB ASN A 17 -27.600 -2.072 -9.732 1.00 22.11 C ATOM 261 CG ASN A 17 -26.672 -0.945 -9.288 1.00 54.33 C ATOM 262 OD1 ASN A 17 -26.736 0.168 -9.813 1.00 70.12 O ATOM 263 ND2 ASN A 17 -25.800 -1.219 -8.331 1.00 64.22 N ATOM 0 H ASN A 17 -26.125 -3.980 -8.938 1.00 21.01 H new ATOM 0 HA ASN A 17 -28.257 -2.447 -7.726 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.121 -2.633 -10.535 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -28.512 -1.641 -10.145 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -25.155 -0.498 -8.007 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -25.773 -2.151 -7.917 1.00 64.22 H new ATOM 270 N ALA A 18 -28.892 -5.137 -9.395 1.00 24.13 N ATOM 271 CA ALA A 18 -29.955 -6.073 -9.718 1.00 52.44 C ATOM 272 C ALA A 18 -30.456 -6.763 -8.456 1.00 63.32 C ATOM 273 O ALA A 18 -31.660 -6.833 -8.214 1.00 53.11 O ATOM 274 CB ALA A 18 -29.472 -7.099 -10.731 1.00 44.34 C ATOM 0 H ALA A 18 -27.949 -5.512 -9.501 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.782 -5.518 -10.160 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -30.281 -7.792 -10.961 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -29.159 -6.591 -11.643 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -28.629 -7.651 -10.316 1.00 44.34 H new ATOM 280 N PHE A 19 -29.526 -7.257 -7.647 1.00 32.44 N ATOM 281 CA PHE A 19 -29.877 -7.939 -6.412 1.00 64.45 C ATOM 282 C PHE A 19 -29.096 -7.356 -5.239 1.00 11.13 C ATOM 283 O PHE A 19 -27.942 -7.711 -5.014 1.00 74.13 O ATOM 284 CB PHE A 19 -29.611 -9.444 -6.523 1.00 5.30 C ATOM 285 CG PHE A 19 -30.408 -10.127 -7.599 1.00 32.32 C ATOM 286 CD1 PHE A 19 -31.732 -10.479 -7.381 1.00 44.11 C ATOM 287 CD2 PHE A 19 -29.835 -10.418 -8.826 1.00 21.44 C ATOM 288 CE1 PHE A 19 -32.467 -11.108 -8.368 1.00 53.12 C ATOM 289 CE2 PHE A 19 -30.564 -11.046 -9.817 1.00 21.41 C ATOM 290 CZ PHE A 19 -31.882 -11.394 -9.588 1.00 4.25 C ATOM 0 H PHE A 19 -28.524 -7.197 -7.826 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.942 -7.789 -6.236 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -28.550 -9.602 -6.715 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -29.835 -9.914 -5.565 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -32.193 -10.259 -6.430 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -28.805 -10.150 -9.010 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -33.497 -11.376 -8.187 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -30.105 -11.265 -10.770 1.00 21.41 H new ATOM 0 HZ PHE A 19 -32.453 -11.888 -10.360 1.00 4.25 H new ATOM 300 N PRO A 20 -29.716 -6.444 -4.480 1.00 74.32 N ATOM 301 CA PRO A 20 -29.076 -5.810 -3.325 1.00 62.04 C ATOM 302 C PRO A 20 -28.805 -6.805 -2.200 1.00 53.13 C ATOM 303 O PRO A 20 -27.900 -6.615 -1.389 1.00 3.14 O ATOM 304 CB PRO A 20 -30.092 -4.757 -2.869 1.00 73.25 C ATOM 305 CG PRO A 20 -31.051 -4.612 -4.003 1.00 43.34 C ATOM 306 CD PRO A 20 -31.082 -5.944 -4.691 1.00 54.10 C ATOM 0 HA PRO A 20 -28.104 -5.391 -3.584 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -30.604 -5.073 -1.960 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -29.602 -3.809 -2.646 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.042 -4.336 -3.643 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -30.730 -3.827 -4.687 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.829 -6.608 -4.256 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.320 -5.848 -5.750 1.00 54.10 H new ATOM 314 N GLU A 21 -29.593 -7.875 -2.174 1.00 43.25 N ATOM 315 CA GLU A 21 -29.464 -8.914 -1.159 1.00 14.45 C ATOM 316 C GLU A 21 -28.357 -9.898 -1.514 1.00 61.52 C ATOM 317 O GLU A 21 -28.084 -10.836 -0.763 1.00 44.12 O ATOM 318 CB GLU A 21 -30.788 -9.665 -0.992 1.00 73.54 C ATOM 319 CG GLU A 21 -31.808 -8.946 -0.123 1.00 25.00 C ATOM 320 CD GLU A 21 -32.070 -7.522 -0.567 1.00 21.25 C ATOM 321 OE1 GLU A 21 -32.696 -7.332 -1.627 1.00 31.02 O ATOM 322 OE2 GLU A 21 -31.658 -6.588 0.153 1.00 2.14 O ATOM 0 H GLU A 21 -30.335 -8.046 -2.852 1.00 43.25 H new ATOM 0 HA GLU A 21 -29.205 -8.428 -0.219 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -31.223 -9.836 -1.977 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.585 -10.645 -0.559 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -32.745 -9.503 -0.137 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -31.457 -8.939 0.909 1.00 25.00 H new ATOM 329 N ALA A 22 -27.731 -9.692 -2.661 1.00 13.31 N ATOM 330 CA ALA A 22 -26.640 -10.546 -3.087 1.00 45.34 C ATOM 331 C ALA A 22 -25.308 -9.919 -2.715 1.00 74.40 C ATOM 332 O ALA A 22 -25.072 -8.744 -2.990 1.00 53.45 O ATOM 333 CB ALA A 22 -26.711 -10.792 -4.584 1.00 43.43 C ATOM 0 H ALA A 22 -27.961 -8.941 -3.312 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.729 -11.505 -2.577 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.885 -11.435 -4.887 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -27.656 -11.277 -4.829 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -26.643 -9.841 -5.113 1.00 43.43 H new ATOM 339 N GLU A 23 -24.450 -10.692 -2.073 1.00 31.23 N ATOM 340 CA GLU A 23 -23.136 -10.207 -1.705 1.00 5.24 C ATOM 341 C GLU A 23 -22.114 -10.541 -2.773 1.00 11.04 C ATOM 342 O GLU A 23 -22.027 -11.677 -3.244 1.00 5.32 O ATOM 343 CB GLU A 23 -22.693 -10.761 -0.353 1.00 2.23 C ATOM 344 CG GLU A 23 -23.004 -9.825 0.799 1.00 32.11 C ATOM 345 CD GLU A 23 -22.407 -8.447 0.584 1.00 53.32 C ATOM 346 OE1 GLU A 23 -21.184 -8.282 0.788 1.00 74.04 O ATOM 347 OE2 GLU A 23 -23.151 -7.527 0.188 1.00 2.10 O ATOM 0 H GLU A 23 -24.641 -11.655 -1.797 1.00 31.23 H new ATOM 0 HA GLU A 23 -23.204 -9.123 -1.618 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -23.185 -11.718 -0.180 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.620 -10.954 -0.379 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -24.084 -9.739 0.915 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -22.616 -10.248 1.726 1.00 32.11 H new ATOM 354 N ILE A 24 -21.349 -9.534 -3.149 1.00 13.41 N ATOM 355 CA ILE A 24 -20.349 -9.666 -4.187 1.00 74.24 C ATOM 356 C ILE A 24 -18.965 -9.700 -3.564 1.00 61.32 C ATOM 357 O ILE A 24 -18.556 -8.745 -2.901 1.00 75.31 O ATOM 358 CB ILE A 24 -20.421 -8.479 -5.161 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.875 -8.201 -5.534 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.593 -8.765 -6.405 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.082 -6.839 -6.140 1.00 33.11 C ATOM 0 H ILE A 24 -21.405 -8.601 -2.742 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.540 -10.591 -4.730 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.010 -7.595 -4.674 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.214 -8.960 -6.239 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.496 -8.293 -4.643 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.654 -7.916 -7.086 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.554 -8.929 -6.121 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.978 -9.656 -6.901 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.136 -6.705 -6.382 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -21.773 -6.073 -5.428 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -21.487 -6.751 -7.049 1.00 33.11 H new ATOM 373 N THR A 25 -18.259 -10.798 -3.743 1.00 14.02 N ATOM 374 CA THR A 25 -16.902 -10.899 -3.245 1.00 54.43 C ATOM 375 C THR A 25 -15.936 -11.130 -4.397 1.00 60.33 C ATOM 376 O THR A 25 -15.909 -12.212 -4.989 1.00 24.53 O ATOM 377 CB THR A 25 -16.769 -12.037 -2.213 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.827 -11.943 -1.251 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.426 -11.972 -1.499 1.00 30.53 C ATOM 0 H THR A 25 -18.600 -11.629 -4.227 1.00 14.02 H new ATOM 0 HA THR A 25 -16.656 -9.959 -2.750 1.00 54.43 H new ATOM 0 HB THR A 25 -16.834 -12.988 -2.742 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.741 -12.668 -0.598 1.00 13.51 H new ATOM 0 HG21 THR A 25 -15.358 -12.786 -0.777 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.621 -12.066 -2.228 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.336 -11.018 -0.980 1.00 30.53 H new ATOM 387 N VAL A 26 -15.160 -10.111 -4.730 1.00 74.44 N ATOM 388 CA VAL A 26 -14.201 -10.228 -5.815 1.00 13.43 C ATOM 389 C VAL A 26 -12.920 -10.884 -5.314 1.00 70.34 C ATOM 390 O VAL A 26 -12.220 -10.357 -4.450 1.00 52.34 O ATOM 391 CB VAL A 26 -13.895 -8.863 -6.483 1.00 24.42 C ATOM 392 CG1 VAL A 26 -13.375 -7.848 -5.477 1.00 41.35 C ATOM 393 CG2 VAL A 26 -12.908 -9.038 -7.629 1.00 35.24 C ATOM 0 H VAL A 26 -15.175 -9.201 -4.269 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.650 -10.859 -6.582 1.00 13.43 H new ATOM 0 HB VAL A 26 -14.831 -8.476 -6.884 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -13.172 -6.905 -5.984 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -14.123 -7.689 -4.700 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -12.456 -8.222 -5.025 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -12.705 -8.069 -8.086 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -11.979 -9.461 -7.247 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -13.332 -9.709 -8.375 1.00 35.24 H new ATOM 403 N THR A 27 -12.645 -12.059 -5.839 1.00 53.51 N ATOM 404 CA THR A 27 -11.498 -12.830 -5.415 1.00 3.34 C ATOM 405 C THR A 27 -10.307 -12.569 -6.332 1.00 43.20 C ATOM 406 O THR A 27 -10.320 -12.936 -7.515 1.00 52.12 O ATOM 407 CB THR A 27 -11.833 -14.335 -5.400 1.00 60.22 C ATOM 408 OG1 THR A 27 -13.087 -14.539 -4.730 1.00 55.14 O ATOM 409 CG2 THR A 27 -10.746 -15.135 -4.697 1.00 63.14 C ATOM 0 H THR A 27 -13.206 -12.503 -6.566 1.00 53.51 H new ATOM 0 HA THR A 27 -11.235 -12.519 -4.404 1.00 3.34 H new ATOM 0 HB THR A 27 -11.899 -14.681 -6.431 1.00 60.22 H new ATOM 0 HG1 THR A 27 -13.302 -15.495 -4.722 1.00 55.14 H new ATOM 0 HG21 THR A 27 -11.011 -16.192 -4.703 1.00 63.14 H new ATOM 0 HG22 THR A 27 -9.798 -14.996 -5.217 1.00 63.14 H new ATOM 0 HG23 THR A 27 -10.649 -14.791 -3.667 1.00 63.14 H new ATOM 417 N SER A 28 -9.298 -11.912 -5.784 1.00 23.54 N ATOM 418 CA SER A 28 -8.075 -11.630 -6.508 1.00 22.03 C ATOM 419 C SER A 28 -7.118 -12.805 -6.360 1.00 14.30 C ATOM 420 O SER A 28 -6.760 -13.182 -5.245 1.00 32.51 O ATOM 421 CB SER A 28 -7.434 -10.348 -5.969 1.00 23.21 C ATOM 422 OG SER A 28 -8.337 -9.254 -6.044 1.00 51.11 O ATOM 0 H SER A 28 -9.306 -11.561 -4.826 1.00 23.54 H new ATOM 0 HA SER A 28 -8.301 -11.486 -7.565 1.00 22.03 H new ATOM 0 HB2 SER A 28 -7.126 -10.499 -4.934 1.00 23.21 H new ATOM 0 HB3 SER A 28 -6.534 -10.120 -6.540 1.00 23.21 H new ATOM 0 HG SER A 28 -7.904 -8.448 -5.692 1.00 51.11 H new ATOM 428 N LEU A 29 -6.714 -13.393 -7.475 1.00 60.25 N ATOM 429 CA LEU A 29 -5.881 -14.583 -7.430 1.00 24.55 C ATOM 430 C LEU A 29 -4.735 -14.508 -8.433 1.00 12.10 C ATOM 431 O LEU A 29 -3.574 -14.693 -8.069 1.00 65.12 O ATOM 432 CB LEU A 29 -6.717 -15.861 -7.659 1.00 52.33 C ATOM 433 CG LEU A 29 -7.354 -16.040 -9.046 1.00 2.03 C ATOM 434 CD1 LEU A 29 -7.821 -17.477 -9.226 1.00 71.35 C ATOM 435 CD2 LEU A 29 -8.525 -15.087 -9.249 1.00 60.32 C ATOM 0 H LEU A 29 -6.947 -13.069 -8.414 1.00 60.25 H new ATOM 0 HA LEU A 29 -5.448 -14.631 -6.431 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -6.078 -16.723 -7.466 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -7.514 -15.882 -6.915 1.00 52.33 H new ATOM 0 HG LEU A 29 -6.595 -15.808 -9.793 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -8.271 -17.593 -10.212 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -6.969 -18.151 -9.135 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -8.558 -17.719 -8.460 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -8.952 -15.241 -10.240 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -9.286 -15.279 -8.493 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -8.176 -14.058 -9.160 1.00 60.32 H new ATOM 447 N VAL A 30 -5.055 -14.221 -9.689 1.00 4.40 N ATOM 448 CA VAL A 30 -4.055 -14.239 -10.745 1.00 1.44 C ATOM 449 C VAL A 30 -4.119 -12.975 -11.593 1.00 64.14 C ATOM 450 O VAL A 30 -5.187 -12.385 -11.769 1.00 15.34 O ATOM 451 CB VAL A 30 -4.220 -15.474 -11.663 1.00 71.32 C ATOM 452 CG1 VAL A 30 -4.022 -16.759 -10.878 1.00 52.04 C ATOM 453 CG2 VAL A 30 -5.584 -15.476 -12.341 1.00 30.41 C ATOM 0 H VAL A 30 -5.995 -13.974 -9.998 1.00 4.40 H new ATOM 0 HA VAL A 30 -3.084 -14.290 -10.253 1.00 1.44 H new ATOM 0 HB VAL A 30 -3.454 -15.417 -12.436 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -4.143 -17.614 -11.543 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -3.020 -16.772 -10.448 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -4.761 -16.814 -10.078 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -5.672 -16.355 -12.980 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -6.367 -15.499 -11.583 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -5.691 -14.576 -12.946 1.00 30.41 H new ATOM 463 N GLY A 31 -2.961 -12.567 -12.099 1.00 42.32 N ATOM 464 CA GLY A 31 -2.883 -11.430 -12.995 1.00 63.24 C ATOM 465 C GLY A 31 -3.193 -10.105 -12.325 1.00 24.53 C ATOM 466 O GLY A 31 -3.363 -10.027 -11.106 1.00 24.33 O ATOM 0 H GLY A 31 -2.064 -13.011 -11.901 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -1.882 -11.385 -13.424 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -3.578 -11.581 -13.821 1.00 63.24 H new ATOM 470 N ASP A 32 -3.257 -9.061 -13.136 1.00 54.21 N ATOM 471 CA ASP A 32 -3.598 -7.725 -12.661 1.00 24.22 C ATOM 472 C ASP A 32 -4.593 -7.086 -13.619 1.00 21.34 C ATOM 473 O ASP A 32 -5.737 -6.819 -13.259 1.00 50.54 O ATOM 474 CB ASP A 32 -2.341 -6.860 -12.532 1.00 33.31 C ATOM 475 CG ASP A 32 -2.658 -5.419 -12.179 1.00 63.05 C ATOM 476 OD1 ASP A 32 -3.089 -5.156 -11.037 1.00 1.50 O ATOM 477 OD2 ASP A 32 -2.459 -4.537 -13.037 1.00 71.24 O ATOM 0 H ASP A 32 -3.075 -9.113 -14.138 1.00 54.21 H new ATOM 0 HA ASP A 32 -4.053 -7.803 -11.673 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -1.690 -7.283 -11.767 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -1.788 -6.887 -13.471 1.00 33.31 H new ATOM 482 N ASN A 33 -4.160 -6.874 -14.855 1.00 11.01 N ATOM 483 CA ASN A 33 -5.057 -6.415 -15.908 1.00 33.31 C ATOM 484 C ASN A 33 -5.777 -7.622 -16.504 1.00 73.15 C ATOM 485 O ASN A 33 -5.750 -7.855 -17.714 1.00 35.41 O ATOM 486 CB ASN A 33 -4.273 -5.661 -16.991 1.00 23.21 C ATOM 487 CG ASN A 33 -5.167 -4.807 -17.875 1.00 63.34 C ATOM 488 OD1 ASN A 33 -5.663 -5.256 -18.909 1.00 61.15 O ATOM 489 ND2 ASN A 33 -5.368 -3.563 -17.471 1.00 30.04 N ATOM 0 H ASN A 33 -3.194 -7.012 -15.153 1.00 11.01 H new ATOM 0 HA ASN A 33 -5.791 -5.726 -15.489 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -3.525 -5.026 -16.516 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -3.735 -6.379 -17.611 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -5.953 -2.936 -18.023 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -4.938 -3.231 -16.608 1.00 30.04 H new ATOM 496 N ASN A 34 -6.407 -8.397 -15.631 1.00 61.41 N ATOM 497 CA ASN A 34 -7.038 -9.653 -16.013 1.00 4.13 C ATOM 498 C ASN A 34 -8.408 -9.781 -15.366 1.00 1.44 C ATOM 499 O ASN A 34 -8.867 -8.867 -14.675 1.00 40.12 O ATOM 500 CB ASN A 34 -6.165 -10.841 -15.585 1.00 53.13 C ATOM 501 CG ASN A 34 -4.904 -10.985 -16.414 1.00 60.20 C ATOM 502 OD1 ASN A 34 -3.862 -10.405 -16.097 1.00 22.32 O ATOM 503 ND2 ASN A 34 -4.983 -11.773 -17.474 1.00 24.41 N ATOM 0 H ASN A 34 -6.495 -8.173 -14.640 1.00 61.41 H new ATOM 0 HA ASN A 34 -7.151 -9.658 -17.097 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -5.891 -10.723 -14.537 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -6.749 -11.758 -15.661 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -4.163 -11.919 -18.063 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -5.864 -12.234 -17.702 1.00 24.41 H new ATOM 510 N HIS A 35 -9.052 -10.917 -15.591 1.00 11.54 N ATOM 511 CA HIS A 35 -10.328 -11.207 -14.959 1.00 21.41 C ATOM 512 C HIS A 35 -10.109 -11.876 -13.610 1.00 54.15 C ATOM 513 O HIS A 35 -9.258 -12.758 -13.474 1.00 54.44 O ATOM 514 CB HIS A 35 -11.193 -12.103 -15.851 1.00 25.33 C ATOM 515 CG HIS A 35 -11.793 -11.390 -17.023 1.00 13.33 C ATOM 516 ND1 HIS A 35 -11.577 -11.765 -18.331 1.00 35.21 N ATOM 517 CD2 HIS A 35 -12.619 -10.323 -17.075 1.00 50.13 C ATOM 518 CE1 HIS A 35 -12.241 -10.953 -19.132 1.00 24.43 C ATOM 519 NE2 HIS A 35 -12.884 -10.066 -18.397 1.00 23.03 N ATOM 0 H HIS A 35 -8.710 -11.654 -16.208 1.00 11.54 H new ATOM 0 HA HIS A 35 -10.851 -10.263 -14.809 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -10.586 -12.933 -16.214 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -11.994 -12.533 -15.250 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -13.002 -9.771 -16.229 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -12.256 -11.006 -20.211 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -13.478 -9.316 -18.751 1.00 23.03 H new ATOM 528 N TYR A 36 -10.875 -11.449 -12.622 1.00 43.33 N ATOM 529 CA TYR A 36 -10.788 -12.016 -11.288 1.00 71.31 C ATOM 530 C TYR A 36 -12.010 -12.874 -10.999 1.00 40.50 C ATOM 531 O TYR A 36 -12.948 -12.918 -11.800 1.00 24.43 O ATOM 532 CB TYR A 36 -10.637 -10.914 -10.237 1.00 22.12 C ATOM 533 CG TYR A 36 -9.278 -10.249 -10.256 1.00 15.02 C ATOM 534 CD1 TYR A 36 -8.150 -10.927 -9.808 1.00 41.21 C ATOM 535 CD2 TYR A 36 -9.120 -8.946 -10.712 1.00 43.30 C ATOM 536 CE1 TYR A 36 -6.905 -10.327 -9.817 1.00 62.32 C ATOM 537 CE2 TYR A 36 -7.877 -8.339 -10.725 1.00 62.54 C ATOM 538 CZ TYR A 36 -6.772 -9.035 -10.274 1.00 1.54 C ATOM 539 OH TYR A 36 -5.534 -8.435 -10.279 1.00 12.31 O ATOM 0 H TYR A 36 -11.568 -10.707 -12.719 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.902 -12.649 -11.240 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -11.406 -10.158 -10.400 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -10.812 -11.338 -9.248 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -8.248 -11.940 -9.447 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -9.982 -8.398 -11.062 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -6.039 -10.870 -9.467 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -7.771 -7.327 -11.086 1.00 62.54 H new ATOM 0 HH TYR A 36 -4.846 -9.107 -10.465 1.00 12.31 H new ATOM 549 N SER A 37 -12.000 -13.557 -9.866 1.00 2.23 N ATOM 550 CA SER A 37 -13.069 -14.481 -9.539 1.00 21.11 C ATOM 551 C SER A 37 -14.218 -13.747 -8.851 1.00 62.15 C ATOM 552 O SER A 37 -14.017 -13.049 -7.858 1.00 50.13 O ATOM 553 CB SER A 37 -12.538 -15.608 -8.649 1.00 62.23 C ATOM 554 OG SER A 37 -13.515 -16.615 -8.454 1.00 63.00 O ATOM 0 H SER A 37 -11.266 -13.488 -9.161 1.00 2.23 H new ATOM 0 HA SER A 37 -13.449 -14.918 -10.463 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.649 -16.045 -9.104 1.00 62.23 H new ATOM 0 HB3 SER A 37 -12.236 -15.200 -7.684 1.00 62.23 H new ATOM 0 HG SER A 37 -13.520 -16.888 -7.513 1.00 63.00 H new ATOM 560 N ILE A 38 -15.413 -13.900 -9.387 1.00 34.53 N ATOM 561 CA ILE A 38 -16.587 -13.256 -8.829 1.00 12.35 C ATOM 562 C ILE A 38 -17.370 -14.249 -7.984 1.00 21.51 C ATOM 563 O ILE A 38 -18.016 -15.159 -8.506 1.00 24.12 O ATOM 564 CB ILE A 38 -17.501 -12.673 -9.932 1.00 73.40 C ATOM 565 CG1 ILE A 38 -16.727 -11.675 -10.802 1.00 24.33 C ATOM 566 CG2 ILE A 38 -18.727 -12.010 -9.317 1.00 23.22 C ATOM 567 CD1 ILE A 38 -16.159 -10.498 -10.034 1.00 24.22 C ATOM 0 H ILE A 38 -15.597 -14.468 -10.214 1.00 34.53 H new ATOM 0 HA ILE A 38 -16.246 -12.429 -8.206 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.837 -13.492 -10.567 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -15.911 -12.199 -11.299 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -17.388 -11.301 -11.583 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -19.358 -11.606 -10.109 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -19.290 -12.747 -8.745 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -18.411 -11.202 -8.657 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -15.626 -9.839 -10.720 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -16.971 -9.948 -9.559 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -15.470 -10.860 -9.270 1.00 24.22 H new ATOM 579 N LYS A 39 -17.279 -14.096 -6.675 1.00 62.41 N ATOM 580 CA LYS A 39 -18.001 -14.962 -5.762 1.00 70.34 C ATOM 581 C LYS A 39 -19.346 -14.340 -5.411 1.00 25.51 C ATOM 582 O LYS A 39 -19.411 -13.286 -4.770 1.00 73.43 O ATOM 583 CB LYS A 39 -17.180 -15.212 -4.495 1.00 35.52 C ATOM 584 CG LYS A 39 -17.759 -16.293 -3.596 1.00 1.32 C ATOM 585 CD LYS A 39 -16.986 -16.421 -2.291 1.00 0.22 C ATOM 586 CE LYS A 39 -15.508 -16.714 -2.523 1.00 64.33 C ATOM 587 NZ LYS A 39 -15.297 -17.940 -3.337 1.00 52.43 N ATOM 0 H LYS A 39 -16.712 -13.380 -6.221 1.00 62.41 H new ATOM 0 HA LYS A 39 -18.173 -15.921 -6.251 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -16.166 -15.493 -4.779 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -17.107 -14.282 -3.930 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -18.802 -16.064 -3.379 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -17.745 -17.248 -4.121 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -17.086 -15.498 -1.719 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -17.422 -17.218 -1.689 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -15.046 -15.864 -3.024 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -15.007 -16.828 -1.562 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -14.621 -18.565 -2.854 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -16.203 -18.437 -3.457 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -14.920 -17.677 -4.270 1.00 52.43 H new ATOM 601 N VAL A 40 -20.411 -14.989 -5.849 1.00 63.22 N ATOM 602 CA VAL A 40 -21.758 -14.497 -5.628 1.00 35.24 C ATOM 603 C VAL A 40 -22.394 -15.202 -4.438 1.00 33.00 C ATOM 604 O VAL A 40 -22.616 -16.417 -4.460 1.00 4.22 O ATOM 605 CB VAL A 40 -22.641 -14.690 -6.880 1.00 25.43 C ATOM 606 CG1 VAL A 40 -24.075 -14.266 -6.607 1.00 2.44 C ATOM 607 CG2 VAL A 40 -22.072 -13.916 -8.059 1.00 42.04 C ATOM 0 H VAL A 40 -20.366 -15.868 -6.365 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.687 -13.430 -5.419 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.644 -15.751 -7.130 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.675 -14.412 -7.505 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.484 -14.868 -5.795 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -24.096 -13.213 -6.324 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.707 -14.064 -8.932 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -22.034 -12.855 -7.813 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -21.066 -14.274 -8.278 1.00 42.04 H new ATOM 617 N ILE A 41 -22.660 -14.440 -3.390 1.00 54.23 N ATOM 618 CA ILE A 41 -23.300 -14.977 -2.202 1.00 33.03 C ATOM 619 C ILE A 41 -24.749 -14.510 -2.143 1.00 40.43 C ATOM 620 O ILE A 41 -25.031 -13.370 -1.776 1.00 0.12 O ATOM 621 CB ILE A 41 -22.561 -14.549 -0.911 1.00 63.32 C ATOM 622 CG1 ILE A 41 -21.079 -14.943 -0.983 1.00 72.31 C ATOM 623 CG2 ILE A 41 -23.221 -15.168 0.315 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.846 -16.430 -1.154 1.00 73.31 C ATOM 0 H ILE A 41 -22.442 -13.445 -3.339 1.00 54.23 H new ATOM 0 HA ILE A 41 -23.262 -16.065 -2.265 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.624 -13.464 -0.823 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.613 -14.414 -1.814 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -20.580 -14.609 -0.073 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -22.687 -14.855 1.212 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -24.258 -14.837 0.376 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -23.191 -16.255 0.235 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.775 -16.628 -1.196 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -21.281 -16.966 -0.310 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -21.314 -16.768 -2.079 1.00 73.31 H new ATOM 636 N SER A 42 -25.665 -15.376 -2.543 1.00 20.34 N ATOM 637 CA SER A 42 -27.079 -15.045 -2.520 1.00 24.41 C ATOM 638 C SER A 42 -27.861 -16.092 -1.742 1.00 53.10 C ATOM 639 O SER A 42 -27.650 -17.296 -1.914 1.00 71.22 O ATOM 640 CB SER A 42 -27.628 -14.941 -3.944 1.00 15.34 C ATOM 641 OG SER A 42 -26.834 -14.074 -4.731 1.00 44.11 O ATOM 0 H SER A 42 -25.455 -16.313 -2.887 1.00 20.34 H new ATOM 0 HA SER A 42 -27.193 -14.081 -2.025 1.00 24.41 H new ATOM 0 HB2 SER A 42 -27.655 -15.930 -4.401 1.00 15.34 H new ATOM 0 HB3 SER A 42 -28.654 -14.575 -3.916 1.00 15.34 H new ATOM 0 HG SER A 42 -27.203 -14.025 -5.637 1.00 44.11 H new ATOM 647 N SER A 43 -28.776 -15.626 -0.910 1.00 30.43 N ATOM 648 CA SER A 43 -29.601 -16.503 -0.097 1.00 73.12 C ATOM 649 C SER A 43 -30.550 -17.292 -0.998 1.00 23.01 C ATOM 650 O SER A 43 -31.093 -18.324 -0.609 1.00 1.22 O ATOM 651 CB SER A 43 -30.382 -15.670 0.924 1.00 14.53 C ATOM 652 OG SER A 43 -30.916 -16.477 1.957 1.00 21.44 O ATOM 0 H SER A 43 -28.968 -14.633 -0.779 1.00 30.43 H new ATOM 0 HA SER A 43 -28.971 -17.209 0.443 1.00 73.12 H new ATOM 0 HB2 SER A 43 -29.726 -14.914 1.355 1.00 14.53 H new ATOM 0 HB3 SER A 43 -31.191 -15.141 0.420 1.00 14.53 H new ATOM 0 HG SER A 43 -31.407 -15.914 2.591 1.00 21.44 H new ATOM 658 N GLN A 44 -30.709 -16.805 -2.224 1.00 22.21 N ATOM 659 CA GLN A 44 -31.532 -17.469 -3.226 1.00 35.52 C ATOM 660 C GLN A 44 -30.863 -18.742 -3.744 1.00 53.44 C ATOM 661 O GLN A 44 -31.474 -19.511 -4.486 1.00 5.22 O ATOM 662 CB GLN A 44 -31.807 -16.517 -4.391 1.00 53.01 C ATOM 663 CG GLN A 44 -32.789 -15.406 -4.052 1.00 53.14 C ATOM 664 CD GLN A 44 -34.222 -15.900 -3.954 1.00 12.44 C ATOM 665 OE1 GLN A 44 -34.474 -17.057 -3.620 1.00 4.51 O ATOM 666 NE2 GLN A 44 -35.171 -15.029 -4.253 1.00 42.54 N ATOM 0 H GLN A 44 -30.273 -15.942 -2.549 1.00 22.21 H new ATOM 0 HA GLN A 44 -32.473 -17.750 -2.754 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -30.866 -16.072 -4.715 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -32.196 -17.090 -5.233 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -32.501 -14.949 -3.105 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -32.728 -14.628 -4.813 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -34.923 -14.078 -4.526 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -36.151 -15.308 -4.211 1.00 42.54 H new ATOM 675 N PHE A 45 -29.607 -18.958 -3.365 1.00 2.34 N ATOM 676 CA PHE A 45 -28.884 -20.157 -3.777 1.00 54.05 C ATOM 677 C PHE A 45 -28.882 -21.218 -2.675 1.00 52.21 C ATOM 678 O PHE A 45 -28.506 -22.364 -2.917 1.00 54.32 O ATOM 679 CB PHE A 45 -27.439 -19.829 -4.160 1.00 21.10 C ATOM 680 CG PHE A 45 -27.267 -19.169 -5.505 1.00 62.12 C ATOM 681 CD1 PHE A 45 -27.551 -19.858 -6.675 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.777 -17.877 -5.601 1.00 52.02 C ATOM 683 CE1 PHE A 45 -27.348 -19.271 -7.911 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.580 -17.280 -6.835 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.861 -17.978 -7.992 1.00 32.51 C ATOM 0 H PHE A 45 -29.070 -18.321 -2.776 1.00 2.34 H new ATOM 0 HA PHE A 45 -29.405 -20.553 -4.648 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -27.016 -19.177 -3.396 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -26.858 -20.751 -4.148 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -27.936 -20.866 -6.620 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.545 -17.327 -4.701 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -27.570 -19.822 -8.813 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.206 -16.268 -6.892 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.702 -17.518 -8.956 1.00 32.51 H new ATOM 695 N GLN A 46 -29.309 -20.847 -1.472 1.00 72.45 N ATOM 696 CA GLN A 46 -29.262 -21.769 -0.343 1.00 75.13 C ATOM 697 C GLN A 46 -30.422 -22.756 -0.415 1.00 33.34 C ATOM 698 O GLN A 46 -31.516 -22.414 -0.868 1.00 13.13 O ATOM 699 CB GLN A 46 -29.272 -21.026 0.999 1.00 64.41 C ATOM 700 CG GLN A 46 -30.650 -20.569 1.455 1.00 21.44 C ATOM 701 CD GLN A 46 -30.630 -19.944 2.836 1.00 44.02 C ATOM 702 OE1 GLN A 46 -29.791 -20.273 3.676 1.00 34.13 O ATOM 703 NE2 GLN A 46 -31.552 -19.032 3.078 1.00 64.01 N ATOM 0 H GLN A 46 -29.687 -19.925 -1.255 1.00 72.45 H new ATOM 0 HA GLN A 46 -28.324 -22.320 -0.406 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -28.847 -21.676 1.764 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -28.621 -20.155 0.923 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -31.045 -19.848 0.740 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -31.329 -21.421 1.456 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -32.229 -18.787 2.356 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -31.588 -18.572 3.987 1.00 64.01 H new ATOM 712 N GLY A 47 -30.162 -23.990 -0.013 1.00 61.23 N ATOM 713 CA GLY A 47 -31.176 -25.026 -0.078 1.00 30.52 C ATOM 714 C GLY A 47 -31.098 -25.793 -1.380 1.00 5.25 C ATOM 715 O GLY A 47 -31.499 -26.958 -1.465 1.00 33.03 O ATOM 0 H GLY A 47 -29.263 -24.296 0.359 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -31.051 -25.713 0.759 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -32.164 -24.577 0.023 1.00 30.52 H new ATOM 719 N LYS A 48 -30.589 -25.125 -2.402 1.00 74.22 N ATOM 720 CA LYS A 48 -30.373 -25.736 -3.693 1.00 25.13 C ATOM 721 C LYS A 48 -28.963 -26.297 -3.755 1.00 55.24 C ATOM 722 O LYS A 48 -28.016 -25.668 -3.278 1.00 42.13 O ATOM 723 CB LYS A 48 -30.601 -24.695 -4.781 1.00 2.30 C ATOM 724 CG LYS A 48 -31.967 -24.045 -4.670 1.00 31.41 C ATOM 725 CD LYS A 48 -32.023 -22.721 -5.400 1.00 43.32 C ATOM 726 CE LYS A 48 -33.387 -22.069 -5.242 1.00 50.32 C ATOM 727 NZ LYS A 48 -33.463 -20.752 -5.922 1.00 10.22 N ATOM 0 H LYS A 48 -30.315 -24.144 -2.355 1.00 74.22 H new ATOM 0 HA LYS A 48 -31.074 -26.557 -3.847 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -29.829 -23.928 -4.717 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -30.502 -25.166 -5.759 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -32.723 -24.716 -5.078 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -32.211 -23.891 -3.619 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -31.251 -22.056 -5.013 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -31.810 -22.876 -6.458 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -34.153 -22.730 -5.648 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -33.606 -21.941 -4.182 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -34.344 -20.271 -5.649 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -32.649 -20.169 -5.642 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -33.450 -20.892 -6.952 1.00 10.22 H new ATOM 741 N SER A 49 -28.827 -27.480 -4.325 1.00 13.41 N ATOM 742 CA SER A 49 -27.556 -28.176 -4.329 1.00 51.51 C ATOM 743 C SER A 49 -26.647 -27.650 -5.435 1.00 12.24 C ATOM 744 O SER A 49 -27.080 -26.875 -6.295 1.00 74.40 O ATOM 745 CB SER A 49 -27.790 -29.680 -4.490 1.00 73.24 C ATOM 746 OG SER A 49 -28.687 -30.158 -3.496 1.00 23.44 O ATOM 0 H SER A 49 -29.584 -27.979 -4.792 1.00 13.41 H new ATOM 0 HA SER A 49 -27.057 -27.995 -3.377 1.00 51.51 H new ATOM 0 HB2 SER A 49 -28.194 -29.886 -5.481 1.00 73.24 H new ATOM 0 HB3 SER A 49 -26.841 -30.211 -4.416 1.00 73.24 H new ATOM 0 HG SER A 49 -28.826 -31.121 -3.616 1.00 23.44 H new ATOM 752 N LYS A 50 -25.384 -28.069 -5.395 1.00 4.42 N ATOM 753 CA LYS A 50 -24.393 -27.656 -6.385 1.00 71.43 C ATOM 754 C LYS A 50 -24.882 -27.895 -7.803 1.00 23.45 C ATOM 755 O LYS A 50 -24.572 -27.127 -8.708 1.00 32.41 O ATOM 756 CB LYS A 50 -23.077 -28.410 -6.189 1.00 4.10 C ATOM 757 CG LYS A 50 -23.225 -29.925 -6.197 1.00 64.11 C ATOM 758 CD LYS A 50 -21.873 -30.616 -6.278 1.00 23.40 C ATOM 759 CE LYS A 50 -22.027 -32.122 -6.403 1.00 14.31 C ATOM 760 NZ LYS A 50 -20.729 -32.797 -6.661 1.00 52.11 N ATOM 0 H LYS A 50 -25.021 -28.700 -4.681 1.00 4.42 H new ATOM 0 HA LYS A 50 -24.233 -26.588 -6.239 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -22.382 -28.119 -6.977 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -22.632 -28.104 -5.242 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -23.745 -30.246 -5.294 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -23.841 -30.227 -7.044 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -21.318 -30.233 -7.134 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -21.289 -30.381 -5.388 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -22.465 -32.518 -5.487 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -22.720 -32.349 -7.213 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -20.881 -33.823 -6.739 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -20.322 -32.439 -7.548 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -20.075 -32.603 -5.876 1.00 52.11 H new ATOM 774 N LEU A 51 -25.649 -28.959 -7.989 1.00 35.35 N ATOM 775 CA LEU A 51 -26.083 -29.359 -9.313 1.00 23.42 C ATOM 776 C LEU A 51 -27.018 -28.306 -9.908 1.00 5.20 C ATOM 777 O LEU A 51 -26.818 -27.863 -11.041 1.00 63.51 O ATOM 778 CB LEU A 51 -26.756 -30.737 -9.246 1.00 12.31 C ATOM 779 CG LEU A 51 -27.109 -31.382 -10.592 1.00 32.31 C ATOM 780 CD1 LEU A 51 -27.151 -32.894 -10.445 1.00 43.12 C ATOM 781 CD2 LEU A 51 -28.450 -30.873 -11.107 1.00 32.51 C ATOM 0 H LEU A 51 -25.983 -29.560 -7.236 1.00 35.35 H new ATOM 0 HA LEU A 51 -25.216 -29.436 -9.969 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -26.097 -31.415 -8.703 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -27.670 -30.644 -8.660 1.00 12.31 H new ATOM 0 HG LEU A 51 -26.340 -31.109 -11.315 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -27.402 -33.346 -11.405 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -26.176 -33.255 -10.118 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -27.905 -33.167 -9.707 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -28.676 -31.346 -12.063 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -29.232 -31.116 -10.388 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -28.402 -29.792 -11.240 1.00 32.51 H new ATOM 793 N GLU A 52 -28.025 -27.901 -9.136 1.00 71.20 N ATOM 794 CA GLU A 52 -28.952 -26.860 -9.567 1.00 3.31 C ATOM 795 C GLU A 52 -28.191 -25.572 -9.860 1.00 30.12 C ATOM 796 O GLU A 52 -28.417 -24.914 -10.879 1.00 1.51 O ATOM 797 CB GLU A 52 -30.020 -26.590 -8.498 1.00 30.33 C ATOM 798 CG GLU A 52 -30.860 -27.802 -8.121 1.00 23.32 C ATOM 799 CD GLU A 52 -30.268 -28.603 -6.979 1.00 25.24 C ATOM 800 OE1 GLU A 52 -29.251 -29.291 -7.190 1.00 61.13 O ATOM 801 OE2 GLU A 52 -30.827 -28.554 -5.858 1.00 33.02 O ATOM 0 H GLU A 52 -28.219 -28.279 -8.209 1.00 71.20 H new ATOM 0 HA GLU A 52 -29.449 -27.208 -10.473 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -29.530 -26.211 -7.601 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.683 -25.802 -8.856 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -31.861 -27.471 -7.844 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -30.967 -28.448 -8.993 1.00 23.32 H new ATOM 808 N GLN A 53 -27.273 -25.231 -8.961 1.00 12.11 N ATOM 809 CA GLN A 53 -26.443 -24.045 -9.122 1.00 42.34 C ATOM 810 C GLN A 53 -25.628 -24.133 -10.409 1.00 43.01 C ATOM 811 O GLN A 53 -25.540 -23.166 -11.164 1.00 50.30 O ATOM 812 CB GLN A 53 -25.515 -23.872 -7.916 1.00 43.04 C ATOM 813 CG GLN A 53 -26.257 -23.626 -6.613 1.00 62.32 C ATOM 814 CD GLN A 53 -25.323 -23.525 -5.423 1.00 34.52 C ATOM 815 OE1 GLN A 53 -24.173 -23.113 -5.555 1.00 70.33 O ATOM 816 NE2 GLN A 53 -25.812 -23.898 -4.252 1.00 33.33 N ATOM 0 H GLN A 53 -27.086 -25.762 -8.111 1.00 12.11 H new ATOM 0 HA GLN A 53 -27.097 -23.175 -9.185 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.898 -24.764 -7.811 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.839 -23.037 -8.104 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -26.835 -22.706 -6.696 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.968 -24.435 -6.445 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -26.772 -24.235 -4.184 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -25.229 -23.849 -3.417 1.00 33.33 H new ATOM 825 N HIS A 54 -25.054 -25.307 -10.665 1.00 11.40 N ATOM 826 CA HIS A 54 -24.261 -25.530 -11.873 1.00 50.22 C ATOM 827 C HIS A 54 -25.106 -25.336 -13.122 1.00 75.33 C ATOM 828 O HIS A 54 -24.651 -24.724 -14.083 1.00 22.05 O ATOM 829 CB HIS A 54 -23.631 -26.928 -11.878 1.00 60.03 C ATOM 830 CG HIS A 54 -22.502 -27.085 -10.905 1.00 0.23 C ATOM 831 ND1 HIS A 54 -22.212 -28.273 -10.274 1.00 44.12 N ATOM 832 CD2 HIS A 54 -21.582 -26.195 -10.467 1.00 72.31 C ATOM 833 CE1 HIS A 54 -21.165 -28.109 -9.491 1.00 21.24 C ATOM 834 NE2 HIS A 54 -20.763 -26.856 -9.590 1.00 73.11 N ATOM 0 H HIS A 54 -25.123 -26.119 -10.052 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.458 -24.792 -11.875 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -24.401 -27.664 -11.649 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -23.267 -27.149 -12.881 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -21.507 -25.157 -10.755 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -20.713 -28.871 -8.873 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -19.971 -26.446 -9.094 1.00 73.11 H new ATOM 843 N ARG A 55 -26.332 -25.850 -13.101 1.00 60.31 N ATOM 844 CA ARG A 55 -27.258 -25.659 -14.214 1.00 40.14 C ATOM 845 C ARG A 55 -27.487 -24.184 -14.468 1.00 43.34 C ATOM 846 O ARG A 55 -27.395 -23.705 -15.606 1.00 3.25 O ATOM 847 CB ARG A 55 -28.610 -26.300 -13.925 1.00 52.11 C ATOM 848 CG ARG A 55 -28.607 -27.820 -13.931 1.00 35.13 C ATOM 849 CD ARG A 55 -30.022 -28.378 -13.903 1.00 61.41 C ATOM 850 NE ARG A 55 -30.865 -27.699 -12.921 1.00 74.14 N ATOM 851 CZ ARG A 55 -31.757 -28.317 -12.148 1.00 14.23 C ATOM 852 NH1 ARG A 55 -31.894 -29.636 -12.199 1.00 74.13 N ATOM 853 NH2 ARG A 55 -32.514 -27.609 -11.322 1.00 52.14 N ATOM 0 H ARG A 55 -26.707 -26.400 -12.328 1.00 60.31 H new ATOM 0 HA ARG A 55 -26.807 -26.130 -15.088 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.960 -25.955 -12.952 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.329 -25.949 -14.665 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -28.090 -28.181 -14.820 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -28.052 -28.188 -13.068 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -30.469 -28.280 -14.892 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -29.986 -29.443 -13.674 1.00 61.41 H new ATOM 0 HE ARG A 55 -30.764 -26.689 -12.821 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -31.314 -30.185 -12.834 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -32.579 -30.101 -11.604 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -32.412 -26.595 -11.280 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -33.198 -28.078 -10.729 1.00 52.14 H new ATOM 867 N MET A 56 -27.793 -23.472 -13.393 1.00 5.13 N ATOM 868 CA MET A 56 -28.095 -22.062 -13.488 1.00 13.24 C ATOM 869 C MET A 56 -26.920 -21.306 -14.097 1.00 73.24 C ATOM 870 O MET A 56 -27.084 -20.596 -15.085 1.00 12.14 O ATOM 871 CB MET A 56 -28.450 -21.485 -12.115 1.00 12.34 C ATOM 872 CG MET A 56 -29.751 -22.028 -11.544 1.00 75.15 C ATOM 873 SD MET A 56 -30.153 -21.336 -9.925 1.00 61.02 S ATOM 874 CE MET A 56 -30.166 -19.583 -10.297 1.00 11.14 C ATOM 0 H MET A 56 -27.837 -23.853 -12.448 1.00 5.13 H new ATOM 0 HA MET A 56 -28.961 -21.943 -14.140 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.639 -21.701 -11.419 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.522 -20.400 -12.194 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.564 -21.812 -12.237 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.681 -23.113 -11.462 1.00 75.15 H new ATOM 0 HE1 MET A 56 -30.744 -19.054 -9.539 1.00 11.14 H new ATOM 0 HE2 MET A 56 -29.144 -19.205 -10.304 1.00 11.14 H new ATOM 0 HE3 MET A 56 -30.619 -19.422 -11.275 1.00 11.14 H new ATOM 884 N ILE A 57 -25.733 -21.490 -13.522 1.00 55.45 N ATOM 885 CA ILE A 57 -24.522 -20.856 -14.040 1.00 13.21 C ATOM 886 C ILE A 57 -24.299 -21.252 -15.497 1.00 34.43 C ATOM 887 O ILE A 57 -23.971 -20.415 -16.341 1.00 62.10 O ATOM 888 CB ILE A 57 -23.275 -21.255 -13.225 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.473 -20.926 -11.744 1.00 2.03 C ATOM 890 CG2 ILE A 57 -22.036 -20.546 -13.763 1.00 32.31 C ATOM 891 CD1 ILE A 57 -22.355 -21.438 -10.863 1.00 2.10 C ATOM 0 H ILE A 57 -25.584 -22.072 -12.698 1.00 55.45 H new ATOM 0 HA ILE A 57 -24.665 -19.778 -13.959 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.131 -22.331 -13.325 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -23.553 -19.845 -11.627 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -24.417 -21.354 -11.407 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.165 -20.839 -13.176 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -21.881 -20.824 -14.805 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -22.175 -19.467 -13.692 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -22.558 -21.171 -9.826 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -22.289 -22.522 -10.952 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -21.412 -20.990 -11.175 1.00 2.10 H new ATOM 903 N TYR A 58 -24.500 -22.537 -15.776 1.00 15.22 N ATOM 904 CA TYR A 58 -24.317 -23.091 -17.111 1.00 4.35 C ATOM 905 C TYR A 58 -25.134 -22.330 -18.143 1.00 73.40 C ATOM 906 O TYR A 58 -24.614 -21.967 -19.194 1.00 43.54 O ATOM 907 CB TYR A 58 -24.703 -24.574 -17.129 1.00 3.41 C ATOM 908 CG TYR A 58 -24.539 -25.233 -18.478 1.00 74.31 C ATOM 909 CD1 TYR A 58 -23.281 -25.415 -19.032 1.00 21.34 C ATOM 910 CD2 TYR A 58 -25.644 -25.675 -19.194 1.00 0.24 C ATOM 911 CE1 TYR A 58 -23.125 -26.013 -20.264 1.00 75.23 C ATOM 912 CE2 TYR A 58 -25.497 -26.276 -20.429 1.00 44.13 C ATOM 913 CZ TYR A 58 -24.235 -26.444 -20.960 1.00 54.23 C ATOM 914 OH TYR A 58 -24.082 -27.041 -22.191 1.00 40.03 O ATOM 0 H TYR A 58 -24.795 -23.223 -15.081 1.00 15.22 H new ATOM 0 HA TYR A 58 -23.263 -22.991 -17.371 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -24.094 -25.107 -16.399 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -25.741 -24.673 -16.811 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -22.409 -25.083 -18.489 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -26.633 -25.547 -18.779 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -22.138 -26.143 -20.682 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -26.365 -26.613 -20.976 1.00 44.13 H new ATOM 0 HH TYR A 58 -24.961 -27.287 -22.547 1.00 40.03 H new ATOM 924 N LYS A 59 -26.407 -22.090 -17.860 1.00 73.42 N ATOM 925 CA LYS A 59 -27.260 -21.397 -18.819 1.00 51.11 C ATOM 926 C LYS A 59 -27.181 -19.875 -18.709 1.00 44.10 C ATOM 927 O LYS A 59 -27.475 -19.176 -19.679 1.00 22.41 O ATOM 928 CB LYS A 59 -28.709 -21.879 -18.730 1.00 13.12 C ATOM 929 CG LYS A 59 -29.009 -23.002 -19.712 1.00 73.15 C ATOM 930 CD LYS A 59 -28.838 -22.530 -21.151 1.00 61.04 C ATOM 931 CE LYS A 59 -28.637 -23.694 -22.105 1.00 2.45 C ATOM 932 NZ LYS A 59 -28.274 -23.229 -23.471 1.00 73.34 N ATOM 0 H LYS A 59 -26.867 -22.359 -16.990 1.00 73.42 H new ATOM 0 HA LYS A 59 -26.871 -21.654 -19.804 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -28.913 -22.223 -17.716 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -29.380 -21.042 -18.924 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -28.344 -23.844 -19.521 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -30.028 -23.359 -19.561 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -29.716 -21.959 -21.453 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -27.983 -21.857 -21.214 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -27.853 -24.347 -21.722 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -29.550 -24.287 -22.153 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -27.595 -23.893 -23.895 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -29.129 -23.184 -24.061 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -27.844 -22.284 -23.413 1.00 73.34 H new ATOM 946 N VAL A 60 -26.800 -19.354 -17.550 1.00 40.42 N ATOM 947 CA VAL A 60 -26.612 -17.913 -17.409 1.00 13.04 C ATOM 948 C VAL A 60 -25.411 -17.459 -18.231 1.00 62.12 C ATOM 949 O VAL A 60 -25.488 -16.482 -18.978 1.00 21.20 O ATOM 950 CB VAL A 60 -26.430 -17.487 -15.932 1.00 40.25 C ATOM 951 CG1 VAL A 60 -25.954 -16.043 -15.830 1.00 54.03 C ATOM 952 CG2 VAL A 60 -27.733 -17.660 -15.169 1.00 74.32 C ATOM 0 H VAL A 60 -26.617 -19.896 -16.705 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.516 -17.431 -17.780 1.00 13.04 H new ATOM 0 HB VAL A 60 -25.668 -18.129 -15.489 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -25.835 -15.772 -14.781 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -24.998 -15.938 -16.342 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -26.688 -15.384 -16.294 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -27.590 -17.357 -14.132 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -28.506 -17.042 -15.625 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -28.038 -18.706 -15.202 1.00 74.32 H new ATOM 962 N LEU A 61 -24.305 -18.177 -18.095 1.00 32.20 N ATOM 963 CA LEU A 61 -23.114 -17.902 -18.886 1.00 23.13 C ATOM 964 C LEU A 61 -23.271 -18.483 -20.286 1.00 43.05 C ATOM 965 O LEU A 61 -22.781 -17.916 -21.264 1.00 70.44 O ATOM 966 CB LEU A 61 -21.864 -18.485 -18.208 1.00 21.35 C ATOM 967 CG LEU A 61 -21.240 -17.631 -17.096 1.00 63.31 C ATOM 968 CD1 LEU A 61 -20.851 -16.261 -17.628 1.00 14.42 C ATOM 969 CD2 LEU A 61 -22.181 -17.495 -15.907 1.00 52.20 C ATOM 0 H LEU A 61 -24.208 -18.956 -17.443 1.00 32.20 H new ATOM 0 HA LEU A 61 -22.991 -16.822 -18.961 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -22.123 -19.458 -17.790 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -21.107 -18.658 -18.973 1.00 21.35 H new ATOM 0 HG LEU A 61 -20.339 -18.139 -16.752 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -20.410 -15.670 -16.825 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -20.126 -16.376 -18.434 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -21.737 -15.753 -18.008 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -21.709 -16.884 -15.137 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -23.108 -17.020 -16.229 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -22.401 -18.483 -15.502 1.00 52.20 H new ATOM 981 N ASP A 62 -23.971 -19.615 -20.358 1.00 51.31 N ATOM 982 CA ASP A 62 -24.215 -20.336 -21.611 1.00 11.45 C ATOM 983 C ASP A 62 -22.892 -20.784 -22.226 1.00 35.13 C ATOM 984 O ASP A 62 -22.741 -20.869 -23.443 1.00 45.22 O ATOM 985 CB ASP A 62 -25.027 -19.476 -22.591 1.00 14.42 C ATOM 986 CG ASP A 62 -25.630 -20.287 -23.728 1.00 30.25 C ATOM 987 OD1 ASP A 62 -26.555 -21.093 -23.469 1.00 3.33 O ATOM 988 OD2 ASP A 62 -25.186 -20.126 -24.886 1.00 64.21 O ATOM 0 H ASP A 62 -24.389 -20.063 -19.542 1.00 51.31 H new ATOM 0 HA ASP A 62 -24.807 -21.225 -21.393 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -25.826 -18.971 -22.048 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -24.383 -18.700 -23.006 1.00 14.42 H new ATOM 993 N GLY A 63 -21.944 -21.109 -21.363 1.00 4.15 N ATOM 994 CA GLY A 63 -20.638 -21.522 -21.807 1.00 43.43 C ATOM 995 C GLY A 63 -19.944 -22.359 -20.763 1.00 33.13 C ATOM 996 O GLY A 63 -20.169 -22.181 -19.563 1.00 43.24 O ATOM 0 H GLY A 63 -22.062 -21.092 -20.350 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -20.729 -22.092 -22.732 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -20.034 -20.643 -22.033 1.00 43.43 H new ATOM 1000 N LEU A 64 -19.115 -23.274 -21.216 1.00 51.34 N ATOM 1001 CA LEU A 64 -18.384 -24.159 -20.324 1.00 3.45 C ATOM 1002 C LEU A 64 -17.210 -23.426 -19.692 1.00 42.35 C ATOM 1003 O LEU A 64 -16.159 -23.262 -20.311 1.00 0.34 O ATOM 1004 CB LEU A 64 -17.882 -25.409 -21.068 1.00 54.54 C ATOM 1005 CG LEU A 64 -18.936 -26.480 -21.392 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -19.658 -26.919 -20.128 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -19.927 -25.981 -22.434 1.00 63.23 C ATOM 0 H LEU A 64 -18.927 -23.428 -22.207 1.00 51.34 H new ATOM 0 HA LEU A 64 -19.069 -24.479 -19.539 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -17.422 -25.089 -22.003 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -17.098 -25.872 -20.469 1.00 54.54 H new ATOM 0 HG LEU A 64 -18.419 -27.343 -21.811 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -20.400 -27.677 -20.378 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -18.938 -27.334 -19.423 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -20.155 -26.060 -19.676 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -20.660 -26.761 -22.642 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -20.437 -25.095 -22.056 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -19.395 -25.729 -23.351 1.00 63.23 H new ATOM 1019 N ASN A 65 -17.397 -22.970 -18.465 1.00 64.21 N ATOM 1020 CA ASN A 65 -16.348 -22.256 -17.753 1.00 60.20 C ATOM 1021 C ASN A 65 -15.625 -23.186 -16.789 1.00 64.31 C ATOM 1022 O ASN A 65 -15.640 -22.980 -15.578 1.00 34.35 O ATOM 1023 CB ASN A 65 -16.918 -21.047 -17.002 1.00 11.43 C ATOM 1024 CG ASN A 65 -17.324 -19.918 -17.932 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -16.519 -19.048 -18.257 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -18.574 -19.922 -18.366 1.00 54.41 N ATOM 0 H ASN A 65 -18.265 -23.081 -17.940 1.00 64.21 H new ATOM 0 HA ASN A 65 -15.631 -21.892 -18.489 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -17.784 -21.362 -16.419 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -16.174 -20.680 -16.295 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -18.899 -19.186 -18.993 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -19.213 -20.662 -18.074 1.00 54.41 H new ATOM 1080 N ILE A 69 -12.921 -20.891 -14.279 1.00 52.42 N ATOM 1081 CA ILE A 69 -14.115 -20.773 -13.465 1.00 0.05 C ATOM 1082 C ILE A 69 -14.077 -19.469 -12.665 1.00 34.51 C ATOM 1083 O ILE A 69 -13.529 -19.397 -11.566 1.00 0.24 O ATOM 1084 CB ILE A 69 -14.297 -22.009 -12.542 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -15.542 -21.858 -11.665 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -13.059 -22.265 -11.692 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -16.835 -21.837 -12.453 1.00 43.35 C ATOM 0 HA ILE A 69 -14.983 -20.743 -14.124 1.00 0.05 H new ATOM 0 HB ILE A 69 -14.436 -22.878 -13.185 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -15.575 -22.680 -10.949 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -15.462 -20.936 -11.089 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -13.226 -23.137 -11.060 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -12.203 -22.446 -12.342 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -12.862 -21.395 -11.065 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -17.676 -21.728 -11.769 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -16.823 -20.999 -13.150 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -16.938 -22.769 -13.008 1.00 43.35 H new ATOM 1099 N GLN A 70 -14.632 -18.421 -13.259 1.00 62.22 N ATOM 1100 CA GLN A 70 -14.575 -17.092 -12.667 1.00 45.13 C ATOM 1101 C GLN A 70 -15.844 -16.763 -11.887 1.00 54.23 C ATOM 1102 O GLN A 70 -15.948 -15.695 -11.291 1.00 20.23 O ATOM 1103 CB GLN A 70 -14.297 -16.036 -13.749 1.00 3.32 C ATOM 1104 CG GLN A 70 -15.237 -16.093 -14.948 1.00 45.50 C ATOM 1105 CD GLN A 70 -16.574 -15.417 -14.705 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -17.595 -15.825 -15.251 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -16.576 -14.366 -13.900 1.00 43.43 N ATOM 0 H GLN A 70 -15.127 -18.466 -14.150 1.00 62.22 H new ATOM 0 HA GLN A 70 -13.752 -17.080 -11.953 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -14.365 -15.046 -13.298 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -13.273 -16.157 -14.101 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -14.751 -15.622 -15.803 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -15.410 -17.136 -15.214 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -15.708 -14.056 -13.464 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -17.446 -13.866 -13.716 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.807 -17.674 -11.889 1.00 33.52 N ATOM 1117 CA ILE A 71 -18.005 -17.494 -11.082 1.00 32.34 C ATOM 1118 C ILE A 71 -18.055 -18.538 -9.974 1.00 21.45 C ATOM 1119 O ILE A 71 -18.071 -19.740 -10.231 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.310 -17.544 -11.919 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.536 -17.531 -10.989 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -19.322 -18.759 -12.830 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -21.869 -17.433 -11.707 1.00 61.50 C ATOM 0 H ILE A 71 -16.783 -18.536 -12.434 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.944 -16.496 -10.647 1.00 32.34 H new ATOM 0 HB ILE A 71 -19.353 -16.659 -12.553 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -20.528 -18.439 -10.386 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -20.446 -16.690 -10.301 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -20.247 -18.772 -13.407 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.471 -18.713 -13.510 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -19.257 -19.666 -12.228 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -22.677 -17.430 -10.975 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -21.902 -16.511 -12.288 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.987 -18.287 -12.374 1.00 61.50 H new ATOM 1135 N GLN A 72 -18.057 -18.073 -8.739 1.00 4.42 N ATOM 1136 CA GLN A 72 -18.153 -18.965 -7.600 1.00 11.31 C ATOM 1137 C GLN A 72 -19.434 -18.678 -6.845 1.00 41.51 C ATOM 1138 O GLN A 72 -19.648 -17.565 -6.373 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.953 -18.801 -6.669 1.00 73.05 C ATOM 1140 CG GLN A 72 -15.612 -18.960 -7.360 1.00 75.12 C ATOM 1141 CD GLN A 72 -14.455 -18.912 -6.387 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -13.956 -17.838 -6.050 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -14.013 -20.073 -5.937 1.00 23.21 N ATOM 0 H GLN A 72 -17.993 -17.084 -8.499 1.00 4.42 H new ATOM 0 HA GLN A 72 -18.160 -19.993 -7.963 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.997 -17.815 -6.206 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -17.026 -19.534 -5.866 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -15.593 -19.908 -7.897 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -15.493 -18.171 -8.102 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -14.455 -20.940 -6.242 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -13.229 -20.102 -5.285 1.00 23.21 H new ATOM 1152 N THR A 73 -20.289 -19.671 -6.744 1.00 51.10 N ATOM 1153 CA THR A 73 -21.578 -19.488 -6.116 1.00 71.51 C ATOM 1154 C THR A 73 -21.634 -20.167 -4.753 1.00 31.34 C ATOM 1155 O THR A 73 -21.265 -21.332 -4.614 1.00 0.24 O ATOM 1156 CB THR A 73 -22.691 -20.042 -7.017 1.00 1.24 C ATOM 1157 OG1 THR A 73 -22.603 -19.436 -8.312 1.00 14.45 O ATOM 1158 CG2 THR A 73 -24.056 -19.766 -6.421 1.00 60.22 C ATOM 0 H THR A 73 -20.115 -20.615 -7.089 1.00 51.10 H new ATOM 0 HA THR A 73 -21.727 -18.418 -5.971 1.00 71.51 H new ATOM 0 HB THR A 73 -22.563 -21.121 -7.102 1.00 1.24 H new ATOM 0 HG1 THR A 73 -23.497 -19.386 -8.711 1.00 14.45 H new ATOM 0 HG21 THR A 73 -24.828 -20.168 -7.078 1.00 60.22 H new ATOM 0 HG22 THR A 73 -24.129 -20.241 -5.443 1.00 60.22 H new ATOM 0 HG23 THR A 73 -24.195 -18.690 -6.313 1.00 60.22 H new ATOM 1166 N GLY A 74 -22.073 -19.417 -3.749 1.00 12.20 N ATOM 1167 CA GLY A 74 -22.296 -19.986 -2.435 1.00 10.41 C ATOM 1168 C GLY A 74 -21.035 -20.098 -1.599 1.00 15.25 C ATOM 1169 O GLY A 74 -19.916 -19.992 -2.110 1.00 44.31 O ATOM 0 H GLY A 74 -22.279 -18.421 -3.823 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -23.022 -19.373 -1.901 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -22.736 -20.977 -2.547 1.00 10.41 H new