USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 509 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 77 ASN : amide:sc= -1.01 K(o=-1.8,f=-2.5) USER MOD Set 1.2: A 80 SER OG : rot -128:sc= -0.809 USER MOD Set 2.1: A 49 TYR OH : rot 85:sc= 0.14 USER MOD Set 2.2: A 53 ASN : amide:sc= -0.0701 K(o=0.07,f=-1.4!) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 11 HIS : no HD1:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= -0.0406 (180deg=-0.254) USER MOD Single : A 37 SER OG : rot -88:sc= 0.384 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= -0.0585 (180deg=-0.26) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 66 TYR OH : rot -72:sc= 0.389! USER MOD Single : A 67 SER OG : rot 57:sc= 0.895 USER MOD Single : A 68 SER OG : rot 94:sc= 0.0735 USER MOD Single : A 71 SER OG : rot -51:sc= 0.0398 USER MOD Single : A 78 SER OG : rot 180:sc= -0.738 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -4.83! C(o=-4.8!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 -6.870 2.873 -8.348 1.00 65.53 N ATOM 53 CA GLU A 5 -8.314 2.898 -8.148 1.00 63.13 C ATOM 54 C GLU A 5 -9.046 3.019 -9.482 1.00 4.22 C ATOM 55 O GLU A 5 -9.152 4.107 -10.048 1.00 1.43 O ATOM 56 CB GLU A 5 -8.704 4.060 -7.232 1.00 63.14 C ATOM 57 CG GLU A 5 -7.855 4.155 -5.975 1.00 54.34 C ATOM 58 CD GLU A 5 -8.597 4.795 -4.818 1.00 54.21 C ATOM 59 OE1 GLU A 5 -9.228 5.852 -5.030 1.00 51.24 O ATOM 60 OE2 GLU A 5 -8.547 4.240 -3.701 1.00 13.02 O ATOM 0 HA GLU A 5 -8.606 1.960 -7.677 1.00 63.13 H new ATOM 0 HB2 GLU A 5 -8.621 4.994 -7.788 1.00 63.14 H new ATOM 0 HB3 GLU A 5 -9.750 3.951 -6.946 1.00 63.14 H new ATOM 0 HG2 GLU A 5 -7.529 3.156 -5.685 1.00 54.34 H new ATOM 0 HG3 GLU A 5 -6.957 4.734 -6.190 1.00 54.34 H new ATOM 67 N VAL A 6 -9.548 1.894 -9.979 1.00 34.52 N ATOM 68 CA VAL A 6 -10.271 1.872 -11.245 1.00 42.50 C ATOM 69 C VAL A 6 -11.704 1.390 -11.052 1.00 51.31 C ATOM 70 O VAL A 6 -11.959 0.189 -10.963 1.00 23.14 O ATOM 71 CB VAL A 6 -9.571 0.967 -12.276 1.00 4.03 C ATOM 72 CG1 VAL A 6 -10.511 0.639 -13.425 1.00 34.11 C ATOM 73 CG2 VAL A 6 -8.300 1.628 -12.788 1.00 63.41 C ATOM 0 H VAL A 6 -9.467 0.985 -9.524 1.00 34.52 H new ATOM 0 HA VAL A 6 -10.283 2.895 -11.620 1.00 42.50 H new ATOM 0 HB VAL A 6 -9.296 0.033 -11.786 1.00 4.03 H new ATOM 0 HG11 VAL A 6 -9.998 -0.001 -14.143 1.00 34.11 H new ATOM 0 HG12 VAL A 6 -11.390 0.121 -13.040 1.00 34.11 H new ATOM 0 HG13 VAL A 6 -10.820 1.561 -13.917 1.00 34.11 H new ATOM 0 HG21 VAL A 6 -7.818 0.975 -13.516 1.00 63.41 H new ATOM 0 HG22 VAL A 6 -8.549 2.578 -13.262 1.00 63.41 H new ATOM 0 HG23 VAL A 6 -7.621 1.806 -11.954 1.00 63.41 H new ATOM 83 N ILE A 7 -12.637 2.335 -10.989 1.00 63.33 N ATOM 84 CA ILE A 7 -14.045 2.006 -10.809 1.00 32.13 C ATOM 85 C ILE A 7 -14.822 2.180 -12.110 1.00 25.44 C ATOM 86 O ILE A 7 -15.184 3.295 -12.485 1.00 20.41 O ATOM 87 CB ILE A 7 -14.692 2.880 -9.718 1.00 22.44 C ATOM 88 CG1 ILE A 7 -16.206 2.661 -9.690 1.00 0.53 C ATOM 89 CG2 ILE A 7 -14.367 4.347 -9.953 1.00 1.24 C ATOM 90 CD1 ILE A 7 -16.813 2.814 -8.313 1.00 13.42 C ATOM 0 H ILE A 7 -12.443 3.334 -11.060 1.00 63.33 H new ATOM 0 HA ILE A 7 -14.087 0.962 -10.500 1.00 32.13 H new ATOM 0 HB ILE A 7 -14.284 2.589 -8.750 1.00 22.44 H new ATOM 0 HG12 ILE A 7 -16.680 3.370 -10.368 1.00 0.53 H new ATOM 0 HG13 ILE A 7 -16.428 1.663 -10.067 1.00 0.53 H new ATOM 0 HG21 ILE A 7 -14.831 4.952 -9.174 1.00 1.24 H new ATOM 0 HG22 ILE A 7 -13.287 4.489 -9.927 1.00 1.24 H new ATOM 0 HG23 ILE A 7 -14.750 4.653 -10.927 1.00 1.24 H new ATOM 0 HD11 ILE A 7 -17.888 2.645 -8.369 1.00 13.42 H new ATOM 0 HD12 ILE A 7 -16.366 2.087 -7.635 1.00 13.42 H new ATOM 0 HD13 ILE A 7 -16.623 3.821 -7.941 1.00 13.42 H new ATOM 102 N VAL A 8 -15.075 1.068 -12.794 1.00 14.42 N ATOM 103 CA VAL A 8 -15.812 1.097 -14.052 1.00 23.32 C ATOM 104 C VAL A 8 -17.151 0.381 -13.921 1.00 32.32 C ATOM 105 O VAL A 8 -17.349 -0.427 -13.013 1.00 12.35 O ATOM 106 CB VAL A 8 -15.003 0.446 -15.190 1.00 74.10 C ATOM 107 CG1 VAL A 8 -13.619 1.069 -15.286 1.00 30.22 C ATOM 108 CG2 VAL A 8 -14.907 -1.058 -14.982 1.00 51.01 C ATOM 0 H VAL A 8 -14.781 0.137 -12.498 1.00 14.42 H new ATOM 0 HA VAL A 8 -15.987 2.146 -14.293 1.00 23.32 H new ATOM 0 HB VAL A 8 -15.522 0.627 -16.131 1.00 74.10 H new ATOM 0 HG11 VAL A 8 -13.063 0.596 -16.095 1.00 30.22 H new ATOM 0 HG12 VAL A 8 -13.714 2.136 -15.486 1.00 30.22 H new ATOM 0 HG13 VAL A 8 -13.088 0.921 -14.346 1.00 30.22 H new ATOM 0 HG21 VAL A 8 -14.332 -1.502 -15.795 1.00 51.01 H new ATOM 0 HG22 VAL A 8 -14.411 -1.263 -14.033 1.00 51.01 H new ATOM 0 HG23 VAL A 8 -15.908 -1.488 -14.969 1.00 51.01 H new ATOM 118 N TYR A 9 -18.068 0.681 -14.834 1.00 11.23 N ATOM 119 CA TYR A 9 -19.391 0.068 -14.820 1.00 23.35 C ATOM 120 C TYR A 9 -19.712 -0.566 -16.170 1.00 1.23 C ATOM 121 O TYR A 9 -19.519 0.050 -17.217 1.00 70.15 O ATOM 122 CB TYR A 9 -20.455 1.108 -14.466 1.00 3.03 C ATOM 123 CG TYR A 9 -20.549 1.398 -12.985 1.00 1.41 C ATOM 124 CD1 TYR A 9 -19.468 1.929 -12.291 1.00 71.20 C ATOM 125 CD2 TYR A 9 -21.718 1.141 -12.279 1.00 42.53 C ATOM 126 CE1 TYR A 9 -19.549 2.195 -10.938 1.00 12.12 C ATOM 127 CE2 TYR A 9 -21.808 1.406 -10.926 1.00 74.05 C ATOM 128 CZ TYR A 9 -20.721 1.932 -10.260 1.00 55.52 C ATOM 129 OH TYR A 9 -20.807 2.196 -8.912 1.00 52.03 O ATOM 0 H TYR A 9 -17.919 1.345 -15.594 1.00 11.23 H new ATOM 0 HA TYR A 9 -19.392 -0.715 -14.062 1.00 23.35 H new ATOM 0 HB2 TYR A 9 -20.236 2.035 -14.996 1.00 3.03 H new ATOM 0 HB3 TYR A 9 -21.425 0.759 -14.822 1.00 3.03 H new ATOM 0 HD1 TYR A 9 -18.549 2.137 -12.819 1.00 71.20 H new ATOM 0 HD2 TYR A 9 -22.571 0.727 -12.797 1.00 42.53 H new ATOM 0 HE1 TYR A 9 -18.699 2.607 -10.414 1.00 12.12 H new ATOM 0 HE2 TYR A 9 -22.725 1.202 -10.393 1.00 74.05 H new ATOM 0 HH TYR A 9 -21.700 1.955 -8.588 1.00 52.03 H new ATOM 139 N GLU A 10 -20.204 -1.800 -16.135 1.00 23.42 N ATOM 140 CA GLU A 10 -20.552 -2.518 -17.355 1.00 62.15 C ATOM 141 C GLU A 10 -22.031 -2.344 -17.686 1.00 14.21 C ATOM 142 O GLU A 10 -22.643 -3.204 -18.321 1.00 43.41 O ATOM 143 CB GLU A 10 -20.222 -4.005 -17.211 1.00 31.22 C ATOM 144 CG GLU A 10 -18.731 -4.299 -17.187 1.00 14.40 C ATOM 145 CD GLU A 10 -18.096 -4.203 -18.560 1.00 60.25 C ATOM 146 OE1 GLU A 10 -18.722 -4.667 -19.537 1.00 20.24 O ATOM 147 OE2 GLU A 10 -16.974 -3.665 -18.659 1.00 64.25 O ATOM 0 H GLU A 10 -20.371 -2.323 -15.275 1.00 23.42 H new ATOM 0 HA GLU A 10 -19.963 -2.100 -18.172 1.00 62.15 H new ATOM 0 HB2 GLU A 10 -20.673 -4.381 -16.292 1.00 31.22 H new ATOM 0 HB3 GLU A 10 -20.678 -4.551 -18.037 1.00 31.22 H new ATOM 0 HG2 GLU A 10 -18.237 -3.599 -16.513 1.00 14.40 H new ATOM 0 HG3 GLU A 10 -18.568 -5.299 -16.784 1.00 14.40 H new ATOM 154 N HIS A 11 -22.601 -1.225 -17.250 1.00 13.13 N ATOM 155 CA HIS A 11 -24.009 -0.937 -17.499 1.00 13.24 C ATOM 156 C HIS A 11 -24.386 0.439 -16.958 1.00 51.43 C ATOM 157 O HIS A 11 -23.542 1.162 -16.428 1.00 30.21 O ATOM 158 CB HIS A 11 -24.892 -2.008 -16.858 1.00 30.31 C ATOM 159 CG HIS A 11 -25.817 -2.680 -17.826 1.00 1.22 C ATOM 160 ND1 HIS A 11 -25.891 -4.049 -17.969 1.00 74.21 N ATOM 161 CD2 HIS A 11 -26.711 -2.162 -18.701 1.00 22.34 C ATOM 162 CE1 HIS A 11 -26.790 -4.345 -18.891 1.00 43.05 C ATOM 163 NE2 HIS A 11 -27.302 -3.217 -19.351 1.00 20.52 N ATOM 0 H HIS A 11 -22.110 -0.503 -16.723 1.00 13.13 H new ATOM 0 HA HIS A 11 -24.170 -0.941 -18.577 1.00 13.24 H new ATOM 0 HB2 HIS A 11 -24.256 -2.761 -16.393 1.00 30.31 H new ATOM 0 HB3 HIS A 11 -25.481 -1.553 -16.062 1.00 30.31 H new ATOM 0 HD2 HIS A 11 -26.920 -1.114 -18.858 1.00 22.34 H new ATOM 0 HE1 HIS A 11 -27.060 -5.340 -19.214 1.00 43.05 H new ATOM 0 HE2 HIS A 11 -28.020 -3.142 -20.072 1.00 20.52 H new ATOM 171 N VAL A 12 -25.659 0.796 -17.097 1.00 40.43 N ATOM 172 CA VAL A 12 -26.148 2.086 -16.623 1.00 24.41 C ATOM 173 C VAL A 12 -25.988 2.212 -15.112 1.00 61.31 C ATOM 174 O VAL A 12 -25.902 1.211 -14.401 1.00 55.42 O ATOM 175 CB VAL A 12 -27.629 2.294 -16.991 1.00 3.33 C ATOM 176 CG1 VAL A 12 -28.520 1.396 -16.147 1.00 73.00 C ATOM 177 CG2 VAL A 12 -28.018 3.755 -16.823 1.00 11.22 C ATOM 0 H VAL A 12 -26.370 0.210 -17.534 1.00 40.43 H new ATOM 0 HA VAL A 12 -25.548 2.852 -17.114 1.00 24.41 H new ATOM 0 HB VAL A 12 -27.768 2.022 -18.037 1.00 3.33 H new ATOM 0 HG11 VAL A 12 -29.563 1.557 -16.421 1.00 73.00 H new ATOM 0 HG12 VAL A 12 -28.256 0.353 -16.322 1.00 73.00 H new ATOM 0 HG13 VAL A 12 -28.381 1.634 -15.092 1.00 73.00 H new ATOM 0 HG21 VAL A 12 -29.068 3.885 -17.087 1.00 11.22 H new ATOM 0 HG22 VAL A 12 -27.865 4.055 -15.786 1.00 11.22 H new ATOM 0 HG23 VAL A 12 -27.401 4.373 -17.475 1.00 11.22 H new ATOM 187 N ASN A 13 -25.949 3.449 -14.628 1.00 23.11 N ATOM 188 CA ASN A 13 -25.799 3.707 -13.200 1.00 71.43 C ATOM 189 C ASN A 13 -26.853 2.949 -12.398 1.00 5.45 C ATOM 190 O ASN A 13 -26.524 2.153 -11.518 1.00 33.11 O ATOM 191 CB ASN A 13 -25.907 5.206 -12.918 1.00 0.44 C ATOM 192 CG ASN A 13 -25.243 5.598 -11.612 1.00 22.24 C ATOM 193 OD1 ASN A 13 -24.035 5.429 -11.441 1.00 73.53 O ATOM 194 ND2 ASN A 13 -26.031 6.124 -10.682 1.00 11.24 N ATOM 0 H ASN A 13 -26.019 4.288 -15.203 1.00 23.11 H new ATOM 0 HA ASN A 13 -24.813 3.357 -12.893 1.00 71.43 H new ATOM 0 HB2 ASN A 13 -25.448 5.761 -13.736 1.00 0.44 H new ATOM 0 HB3 ASN A 13 -26.958 5.493 -12.888 1.00 0.44 H new ATOM 0 HD21 ASN A 13 -25.641 6.406 -9.783 1.00 11.24 H new ATOM 0 HD22 ASN A 13 -27.027 6.246 -10.867 1.00 11.24 H new ATOM 201 N PHE A 14 -28.120 3.203 -12.707 1.00 43.01 N ATOM 202 CA PHE A 14 -29.222 2.546 -12.015 1.00 31.13 C ATOM 203 C PHE A 14 -29.592 1.235 -12.703 1.00 13.15 C ATOM 204 O PHE A 14 -30.769 0.910 -12.851 1.00 55.24 O ATOM 205 CB PHE A 14 -30.441 3.469 -11.961 1.00 73.12 C ATOM 206 CG PHE A 14 -30.666 4.239 -13.231 1.00 1.53 C ATOM 207 CD1 PHE A 14 -30.817 3.580 -14.440 1.00 31.23 C ATOM 208 CD2 PHE A 14 -30.725 5.624 -13.215 1.00 72.31 C ATOM 209 CE1 PHE A 14 -31.024 4.286 -15.610 1.00 33.12 C ATOM 210 CE2 PHE A 14 -30.933 6.335 -14.382 1.00 4.12 C ATOM 211 CZ PHE A 14 -31.081 5.665 -15.581 1.00 11.53 C ATOM 0 H PHE A 14 -28.409 3.859 -13.432 1.00 43.01 H new ATOM 0 HA PHE A 14 -28.899 2.323 -10.998 1.00 31.13 H new ATOM 0 HB2 PHE A 14 -31.328 2.874 -11.744 1.00 73.12 H new ATOM 0 HB3 PHE A 14 -30.319 4.171 -11.136 1.00 73.12 H new ATOM 0 HD1 PHE A 14 -30.772 2.501 -14.469 1.00 31.23 H new ATOM 0 HD2 PHE A 14 -30.607 6.153 -12.281 1.00 72.31 H new ATOM 0 HE1 PHE A 14 -31.141 3.760 -16.546 1.00 33.12 H new ATOM 0 HE2 PHE A 14 -30.980 7.414 -14.356 1.00 4.12 H new ATOM 0 HZ PHE A 14 -31.241 6.219 -16.494 1.00 11.53 H new ATOM 221 N GLY A 15 -28.577 0.486 -13.121 1.00 23.30 N ATOM 222 CA GLY A 15 -28.815 -0.781 -13.789 1.00 1.52 C ATOM 223 C GLY A 15 -27.529 -1.513 -14.118 1.00 34.20 C ATOM 224 O GLY A 15 -27.457 -2.241 -15.107 1.00 53.24 O ATOM 0 H GLY A 15 -27.594 0.733 -13.009 1.00 23.30 H new ATOM 0 HA2 GLY A 15 -29.436 -1.412 -13.154 1.00 1.52 H new ATOM 0 HA3 GLY A 15 -29.374 -0.604 -14.708 1.00 1.52 H new ATOM 228 N GLY A 16 -26.510 -1.320 -13.287 1.00 1.34 N ATOM 229 CA GLY A 16 -25.234 -1.973 -13.513 1.00 30.13 C ATOM 230 C GLY A 16 -24.439 -2.151 -12.234 1.00 50.24 C ATOM 231 O GLY A 16 -24.755 -1.548 -11.208 1.00 74.24 O ATOM 0 H GLY A 16 -26.545 -0.723 -12.461 1.00 1.34 H new ATOM 0 HA2 GLY A 16 -25.404 -2.948 -13.970 1.00 30.13 H new ATOM 0 HA3 GLY A 16 -24.650 -1.386 -14.222 1.00 30.13 H new ATOM 235 N LYS A 17 -23.404 -2.982 -12.294 1.00 0.21 N ATOM 236 CA LYS A 17 -22.561 -3.239 -11.133 1.00 4.44 C ATOM 237 C LYS A 17 -21.243 -2.478 -11.238 1.00 64.25 C ATOM 238 O LYS A 17 -20.770 -2.186 -12.337 1.00 20.40 O ATOM 239 CB LYS A 17 -22.287 -4.738 -10.997 1.00 21.22 C ATOM 240 CG LYS A 17 -21.288 -5.268 -12.010 1.00 65.33 C ATOM 241 CD LYS A 17 -20.006 -5.734 -11.339 1.00 53.01 C ATOM 242 CE LYS A 17 -20.261 -6.908 -10.406 1.00 62.35 C ATOM 243 NZ LYS A 17 -19.878 -6.594 -9.002 1.00 34.11 N ATOM 0 H LYS A 17 -23.129 -3.489 -13.135 1.00 0.21 H new ATOM 0 HA LYS A 17 -23.092 -2.891 -10.247 1.00 4.44 H new ATOM 0 HB2 LYS A 17 -21.916 -4.941 -9.993 1.00 21.22 H new ATOM 0 HB3 LYS A 17 -23.225 -5.282 -11.106 1.00 21.22 H new ATOM 0 HG2 LYS A 17 -21.733 -6.096 -12.562 1.00 65.33 H new ATOM 0 HG3 LYS A 17 -21.057 -4.489 -12.736 1.00 65.33 H new ATOM 0 HD2 LYS A 17 -19.280 -6.023 -12.099 1.00 53.01 H new ATOM 0 HD3 LYS A 17 -19.568 -4.909 -10.777 1.00 53.01 H new ATOM 0 HE2 LYS A 17 -21.316 -7.178 -10.443 1.00 62.35 H new ATOM 0 HE3 LYS A 17 -19.698 -7.775 -10.751 1.00 62.35 H new ATOM 0 HZ1 LYS A 17 -20.067 -7.419 -8.398 1.00 34.11 H new ATOM 0 HZ2 LYS A 17 -18.865 -6.361 -8.962 1.00 34.11 H new ATOM 0 HZ3 LYS A 17 -20.434 -5.783 -8.664 1.00 34.11 H new ATOM 257 N SER A 18 -20.653 -2.161 -10.090 1.00 33.51 N ATOM 258 CA SER A 18 -19.391 -1.433 -10.054 1.00 4.00 C ATOM 259 C SER A 18 -18.207 -2.396 -10.070 1.00 13.23 C ATOM 260 O SER A 18 -18.280 -3.497 -9.523 1.00 54.40 O ATOM 261 CB SER A 18 -19.324 -0.546 -8.809 1.00 75.02 C ATOM 262 OG SER A 18 -19.018 -1.309 -7.655 1.00 40.00 O ATOM 0 H SER A 18 -21.029 -2.397 -9.172 1.00 33.51 H new ATOM 0 HA SER A 18 -19.338 -0.804 -10.943 1.00 4.00 H new ATOM 0 HB2 SER A 18 -18.568 0.226 -8.949 1.00 75.02 H new ATOM 0 HB3 SER A 18 -20.278 -0.037 -8.670 1.00 75.02 H new ATOM 0 HG SER A 18 -18.979 -0.719 -6.874 1.00 40.00 H new ATOM 268 N PHE A 19 -17.117 -1.973 -10.701 1.00 2.24 N ATOM 269 CA PHE A 19 -15.917 -2.797 -10.789 1.00 41.24 C ATOM 270 C PHE A 19 -14.686 -2.016 -10.337 1.00 34.21 C ATOM 271 O PHE A 19 -14.121 -1.231 -11.098 1.00 55.04 O ATOM 272 CB PHE A 19 -15.720 -3.295 -12.223 1.00 20.45 C ATOM 273 CG PHE A 19 -15.601 -4.789 -12.327 1.00 34.14 C ATOM 274 CD1 PHE A 19 -14.379 -5.415 -12.143 1.00 42.35 C ATOM 275 CD2 PHE A 19 -16.713 -5.568 -12.608 1.00 44.51 C ATOM 276 CE1 PHE A 19 -14.266 -6.789 -12.238 1.00 72.11 C ATOM 277 CE2 PHE A 19 -16.606 -6.942 -12.704 1.00 32.24 C ATOM 278 CZ PHE A 19 -15.381 -7.554 -12.520 1.00 14.44 C ATOM 0 H PHE A 19 -17.040 -1.065 -11.159 1.00 2.24 H new ATOM 0 HA PHE A 19 -16.045 -3.654 -10.127 1.00 41.24 H new ATOM 0 HB2 PHE A 19 -16.559 -2.962 -12.833 1.00 20.45 H new ATOM 0 HB3 PHE A 19 -14.822 -2.837 -12.638 1.00 20.45 H new ATOM 0 HD1 PHE A 19 -13.504 -4.822 -11.923 1.00 42.35 H new ATOM 0 HD2 PHE A 19 -17.673 -5.096 -12.753 1.00 44.51 H new ATOM 0 HE1 PHE A 19 -13.307 -7.264 -12.092 1.00 72.11 H new ATOM 0 HE2 PHE A 19 -17.480 -7.538 -12.923 1.00 32.24 H new ATOM 0 HZ PHE A 19 -15.295 -8.628 -12.596 1.00 14.44 H new ATOM 461 N ASP A 34 -23.609 -4.067 -25.931 1.00 71.44 N ATOM 462 CA ASP A 34 -22.947 -2.790 -25.696 1.00 2.33 C ATOM 463 C ASP A 34 -23.957 -1.721 -25.290 1.00 3.13 C ATOM 464 O ASP A 34 -24.387 -0.913 -26.113 1.00 42.20 O ATOM 465 CB ASP A 34 -22.190 -2.345 -26.948 1.00 10.50 C ATOM 466 CG ASP A 34 -20.777 -2.893 -26.996 1.00 54.23 C ATOM 467 OD1 ASP A 34 -20.220 -3.192 -25.920 1.00 13.44 O ATOM 468 OD2 ASP A 34 -20.229 -3.022 -28.111 1.00 24.31 O ATOM 0 HA ASP A 34 -22.237 -2.922 -24.880 1.00 2.33 H new ATOM 0 HB2 ASP A 34 -22.734 -2.673 -27.834 1.00 10.50 H new ATOM 0 HB3 ASP A 34 -22.155 -1.256 -26.980 1.00 10.50 H new ATOM 473 N LYS A 35 -24.333 -1.723 -24.015 1.00 44.03 N ATOM 474 CA LYS A 35 -25.292 -0.754 -23.498 1.00 61.24 C ATOM 475 C LYS A 35 -24.583 0.355 -22.727 1.00 74.21 C ATOM 476 O LYS A 35 -23.377 0.285 -22.490 1.00 12.14 O ATOM 477 CB LYS A 35 -26.312 -1.449 -22.593 1.00 4.42 C ATOM 478 CG LYS A 35 -27.223 -2.414 -23.331 1.00 50.51 C ATOM 479 CD LYS A 35 -28.043 -1.703 -24.394 1.00 54.35 C ATOM 480 CE LYS A 35 -28.911 -0.609 -23.791 1.00 33.45 C ATOM 481 NZ LYS A 35 -29.832 -1.144 -22.749 1.00 42.20 N ATOM 0 H LYS A 35 -23.988 -2.386 -23.321 1.00 44.03 H new ATOM 0 HA LYS A 35 -25.812 -0.307 -24.345 1.00 61.24 H new ATOM 0 HB2 LYS A 35 -25.781 -1.991 -21.810 1.00 4.42 H new ATOM 0 HB3 LYS A 35 -26.922 -0.692 -22.099 1.00 4.42 H new ATOM 0 HG2 LYS A 35 -26.625 -3.198 -23.795 1.00 50.51 H new ATOM 0 HG3 LYS A 35 -27.891 -2.901 -22.620 1.00 50.51 H new ATOM 0 HD2 LYS A 35 -27.376 -1.270 -25.140 1.00 54.35 H new ATOM 0 HD3 LYS A 35 -28.674 -2.425 -24.912 1.00 54.35 H new ATOM 0 HE2 LYS A 35 -28.274 0.160 -23.353 1.00 33.45 H new ATOM 0 HE3 LYS A 35 -29.493 -0.131 -24.579 1.00 33.45 H new ATOM 0 HZ1 LYS A 35 -30.540 -0.422 -22.508 1.00 42.20 H new ATOM 0 HZ2 LYS A 35 -30.312 -1.992 -23.112 1.00 42.20 H new ATOM 0 HZ3 LYS A 35 -29.287 -1.392 -21.898 1.00 42.20 H new ATOM 495 N ILE A 36 -25.340 1.375 -22.338 1.00 12.20 N ATOM 496 CA ILE A 36 -24.784 2.497 -21.591 1.00 73.24 C ATOM 497 C ILE A 36 -23.960 2.012 -20.403 1.00 52.05 C ATOM 498 O ILE A 36 -24.382 1.123 -19.664 1.00 0.34 O ATOM 499 CB ILE A 36 -25.892 3.439 -21.083 1.00 44.02 C ATOM 500 CG1 ILE A 36 -25.310 4.467 -20.111 1.00 0.40 C ATOM 501 CG2 ILE A 36 -27.002 2.640 -20.417 1.00 2.54 C ATOM 502 CD1 ILE A 36 -26.059 5.782 -20.102 1.00 61.41 C ATOM 0 H ILE A 36 -26.340 1.448 -22.527 1.00 12.20 H new ATOM 0 HA ILE A 36 -24.139 3.045 -22.278 1.00 73.24 H new ATOM 0 HB ILE A 36 -26.316 3.971 -21.935 1.00 44.02 H new ATOM 0 HG12 ILE A 36 -25.316 4.048 -19.105 1.00 0.40 H new ATOM 0 HG13 ILE A 36 -24.268 4.653 -20.372 1.00 0.40 H new ATOM 0 HG21 ILE A 36 -27.777 3.319 -20.063 1.00 2.54 H new ATOM 0 HG22 ILE A 36 -27.431 1.943 -21.137 1.00 2.54 H new ATOM 0 HG23 ILE A 36 -26.594 2.084 -19.573 1.00 2.54 H new ATOM 0 HD11 ILE A 36 -25.591 6.462 -19.390 1.00 61.41 H new ATOM 0 HD12 ILE A 36 -26.031 6.223 -21.098 1.00 61.41 H new ATOM 0 HD13 ILE A 36 -27.095 5.609 -19.811 1.00 61.41 H new ATOM 514 N SER A 37 -22.783 2.603 -20.226 1.00 11.50 N ATOM 515 CA SER A 37 -21.898 2.231 -19.129 1.00 31.33 C ATOM 516 C SER A 37 -21.293 3.469 -18.474 1.00 63.05 C ATOM 517 O SER A 37 -21.183 4.524 -19.099 1.00 74.02 O ATOM 518 CB SER A 37 -20.785 1.311 -19.633 1.00 62.24 C ATOM 519 OG SER A 37 -21.050 -0.041 -19.300 1.00 41.14 O ATOM 0 H SER A 37 -22.420 3.342 -20.829 1.00 11.50 H new ATOM 0 HA SER A 37 -22.489 1.700 -18.383 1.00 31.33 H new ATOM 0 HB2 SER A 37 -20.689 1.410 -20.714 1.00 62.24 H new ATOM 0 HB3 SER A 37 -19.833 1.616 -19.199 1.00 62.24 H new ATOM 0 HG SER A 37 -20.688 -0.236 -18.410 1.00 41.14 H new ATOM 525 N SER A 38 -20.901 3.332 -17.212 1.00 23.42 N ATOM 526 CA SER A 38 -20.310 4.439 -16.470 1.00 43.31 C ATOM 527 C SER A 38 -18.821 4.202 -16.233 1.00 73.24 C ATOM 528 O SER A 38 -18.438 3.404 -15.377 1.00 45.14 O ATOM 529 CB SER A 38 -21.027 4.625 -15.132 1.00 12.12 C ATOM 530 OG SER A 38 -20.161 5.189 -14.163 1.00 1.43 O ATOM 0 H SER A 38 -20.982 2.465 -16.681 1.00 23.42 H new ATOM 0 HA SER A 38 -20.426 5.345 -17.065 1.00 43.31 H new ATOM 0 HB2 SER A 38 -21.895 5.270 -15.268 1.00 12.12 H new ATOM 0 HB3 SER A 38 -21.397 3.663 -14.777 1.00 12.12 H new ATOM 0 HG SER A 38 -20.644 5.299 -13.317 1.00 1.43 H new ATOM 536 N ILE A 39 -17.988 4.900 -16.998 1.00 34.30 N ATOM 537 CA ILE A 39 -16.542 4.766 -16.871 1.00 55.14 C ATOM 538 C ILE A 39 -15.925 6.022 -16.266 1.00 13.23 C ATOM 539 O ILE A 39 -15.822 7.057 -16.925 1.00 70.20 O ATOM 540 CB ILE A 39 -15.881 4.489 -18.234 1.00 72.24 C ATOM 541 CG1 ILE A 39 -15.987 3.003 -18.584 1.00 62.01 C ATOM 542 CG2 ILE A 39 -14.426 4.932 -18.217 1.00 51.42 C ATOM 543 CD1 ILE A 39 -17.411 2.519 -18.739 1.00 73.54 C ATOM 0 H ILE A 39 -18.289 5.563 -17.712 1.00 34.30 H new ATOM 0 HA ILE A 39 -16.360 3.919 -16.209 1.00 55.14 H new ATOM 0 HB ILE A 39 -16.406 5.062 -18.999 1.00 72.24 H new ATOM 0 HG12 ILE A 39 -15.446 2.817 -19.512 1.00 62.01 H new ATOM 0 HG13 ILE A 39 -15.496 2.419 -17.806 1.00 62.01 H new ATOM 0 HG21 ILE A 39 -13.973 4.730 -19.187 1.00 51.42 H new ATOM 0 HG22 ILE A 39 -14.373 6.000 -18.008 1.00 51.42 H new ATOM 0 HG23 ILE A 39 -13.888 4.384 -17.444 1.00 51.42 H new ATOM 0 HD11 ILE A 39 -17.410 1.458 -18.987 1.00 73.54 H new ATOM 0 HD12 ILE A 39 -17.951 2.673 -17.805 1.00 73.54 H new ATOM 0 HD13 ILE A 39 -17.900 3.077 -19.537 1.00 73.54 H new ATOM 555 N LYS A 40 -15.514 5.924 -15.006 1.00 13.30 N ATOM 556 CA LYS A 40 -14.904 7.051 -14.310 1.00 64.23 C ATOM 557 C LYS A 40 -13.599 6.633 -13.639 1.00 41.43 C ATOM 558 O LYS A 40 -13.607 5.999 -12.585 1.00 21.35 O ATOM 559 CB LYS A 40 -15.869 7.615 -13.265 1.00 42.55 C ATOM 560 CG LYS A 40 -15.337 8.844 -12.547 1.00 74.15 C ATOM 561 CD LYS A 40 -15.311 8.642 -11.042 1.00 22.23 C ATOM 562 CE LYS A 40 -14.514 9.735 -10.347 1.00 23.03 C ATOM 563 NZ LYS A 40 -15.399 10.775 -9.753 1.00 31.44 N ATOM 0 H LYS A 40 -15.592 5.075 -14.446 1.00 13.30 H new ATOM 0 HA LYS A 40 -14.683 7.824 -15.046 1.00 64.23 H new ATOM 0 HB2 LYS A 40 -16.811 7.868 -13.752 1.00 42.55 H new ATOM 0 HB3 LYS A 40 -16.088 6.841 -12.529 1.00 42.55 H new ATOM 0 HG2 LYS A 40 -14.331 9.067 -12.903 1.00 74.15 H new ATOM 0 HG3 LYS A 40 -15.959 9.706 -12.789 1.00 74.15 H new ATOM 0 HD2 LYS A 40 -16.331 8.633 -10.657 1.00 22.23 H new ATOM 0 HD3 LYS A 40 -14.875 7.670 -10.812 1.00 22.23 H new ATOM 0 HE2 LYS A 40 -13.897 9.293 -9.564 1.00 23.03 H new ATOM 0 HE3 LYS A 40 -13.836 10.201 -11.062 1.00 23.03 H new ATOM 0 HZ1 LYS A 40 -14.818 11.502 -9.289 1.00 31.44 H new ATOM 0 HZ2 LYS A 40 -15.969 11.215 -10.503 1.00 31.44 H new ATOM 0 HZ3 LYS A 40 -16.029 10.336 -9.052 1.00 31.44 H new ATOM 577 N VAL A 41 -12.479 6.995 -14.257 1.00 42.11 N ATOM 578 CA VAL A 41 -11.166 6.660 -13.718 1.00 51.42 C ATOM 579 C VAL A 41 -10.128 7.705 -14.111 1.00 41.22 C ATOM 580 O VAL A 41 -10.184 8.274 -15.202 1.00 35.41 O ATOM 581 CB VAL A 41 -10.696 5.277 -14.205 1.00 23.21 C ATOM 582 CG1 VAL A 41 -9.317 4.955 -13.648 1.00 34.10 C ATOM 583 CG2 VAL A 41 -11.702 4.205 -13.814 1.00 25.42 C ATOM 0 H VAL A 41 -12.455 7.520 -15.131 1.00 42.11 H new ATOM 0 HA VAL A 41 -11.265 6.640 -12.633 1.00 51.42 H new ATOM 0 HB VAL A 41 -10.626 5.298 -15.293 1.00 23.21 H new ATOM 0 HG11 VAL A 41 -9.001 3.974 -14.003 1.00 34.10 H new ATOM 0 HG12 VAL A 41 -8.604 5.709 -13.983 1.00 34.10 H new ATOM 0 HG13 VAL A 41 -9.356 4.952 -12.559 1.00 34.10 H new ATOM 0 HG21 VAL A 41 -11.354 3.234 -14.166 1.00 25.42 H new ATOM 0 HG22 VAL A 41 -11.806 4.182 -12.729 1.00 25.42 H new ATOM 0 HG23 VAL A 41 -12.668 4.430 -14.266 1.00 25.42 H new ATOM 593 N LYS A 42 -9.179 7.954 -13.215 1.00 43.24 N ATOM 594 CA LYS A 42 -8.125 8.930 -13.468 1.00 23.33 C ATOM 595 C LYS A 42 -6.748 8.317 -13.230 1.00 51.02 C ATOM 596 O LYS A 42 -6.200 8.407 -12.132 1.00 25.40 O ATOM 597 CB LYS A 42 -8.311 10.156 -12.571 1.00 23.53 C ATOM 598 CG LYS A 42 -8.627 11.428 -13.338 1.00 22.05 C ATOM 599 CD LYS A 42 -9.865 11.264 -14.203 1.00 41.51 C ATOM 600 CE LYS A 42 -11.080 10.884 -13.371 1.00 53.53 C ATOM 601 NZ LYS A 42 -11.276 11.809 -12.220 1.00 63.13 N ATOM 0 H LYS A 42 -9.118 7.493 -12.307 1.00 43.24 H new ATOM 0 HA LYS A 42 -8.191 9.238 -14.512 1.00 23.33 H new ATOM 0 HB2 LYS A 42 -9.116 9.959 -11.863 1.00 23.53 H new ATOM 0 HB3 LYS A 42 -7.404 10.310 -11.987 1.00 23.53 H new ATOM 0 HG2 LYS A 42 -8.778 12.249 -12.637 1.00 22.05 H new ATOM 0 HG3 LYS A 42 -7.777 11.697 -13.965 1.00 22.05 H new ATOM 0 HD2 LYS A 42 -10.064 12.194 -14.736 1.00 41.51 H new ATOM 0 HD3 LYS A 42 -9.685 10.497 -14.957 1.00 41.51 H new ATOM 0 HE2 LYS A 42 -11.969 10.895 -14.001 1.00 53.53 H new ATOM 0 HE3 LYS A 42 -10.963 9.865 -13.002 1.00 53.53 H new ATOM 0 HZ1 LYS A 42 -12.214 11.647 -11.800 1.00 63.13 H new ATOM 0 HZ2 LYS A 42 -10.541 11.634 -11.505 1.00 63.13 H new ATOM 0 HZ3 LYS A 42 -11.210 12.793 -12.550 1.00 63.13 H new ATOM 615 N SER A 43 -6.195 7.696 -14.267 1.00 61.00 N ATOM 616 CA SER A 43 -4.883 7.067 -14.170 1.00 71.31 C ATOM 617 C SER A 43 -4.349 6.708 -15.553 1.00 40.05 C ATOM 618 O SER A 43 -4.718 5.685 -16.128 1.00 32.43 O ATOM 619 CB SER A 43 -4.959 5.811 -13.299 1.00 54.22 C ATOM 620 OG SER A 43 -6.242 5.213 -13.378 1.00 2.33 O ATOM 0 H SER A 43 -6.635 7.615 -15.184 1.00 61.00 H new ATOM 0 HA SER A 43 -4.199 7.780 -13.709 1.00 71.31 H new ATOM 0 HB2 SER A 43 -4.201 5.096 -13.619 1.00 54.22 H new ATOM 0 HB3 SER A 43 -4.737 6.069 -12.263 1.00 54.22 H new ATOM 0 HG SER A 43 -6.265 4.412 -12.814 1.00 2.33 H new ATOM 626 N GLY A 44 -3.476 7.560 -16.083 1.00 72.12 N ATOM 627 CA GLY A 44 -2.905 7.317 -17.395 1.00 22.42 C ATOM 628 C GLY A 44 -3.964 7.114 -18.460 1.00 61.41 C ATOM 629 O GLY A 44 -5.069 7.647 -18.358 1.00 34.43 O ATOM 0 H GLY A 44 -3.154 8.414 -15.627 1.00 72.12 H new ATOM 0 HA2 GLY A 44 -2.271 8.159 -17.673 1.00 22.42 H new ATOM 0 HA3 GLY A 44 -2.264 6.436 -17.352 1.00 22.42 H new ATOM 633 N THR A 45 -3.627 6.341 -19.488 1.00 45.44 N ATOM 634 CA THR A 45 -4.555 6.072 -20.579 1.00 33.54 C ATOM 635 C THR A 45 -4.918 4.592 -20.638 1.00 52.23 C ATOM 636 O THR A 45 -4.141 3.735 -20.217 1.00 42.55 O ATOM 637 CB THR A 45 -3.967 6.499 -21.937 1.00 13.45 C ATOM 638 OG1 THR A 45 -2.786 5.741 -22.219 1.00 43.54 O ATOM 639 CG2 THR A 45 -3.636 7.984 -21.939 1.00 52.12 C ATOM 0 H THR A 45 -2.717 5.890 -19.587 1.00 45.44 H new ATOM 0 HA THR A 45 -5.453 6.657 -20.381 1.00 33.54 H new ATOM 0 HB THR A 45 -4.713 6.308 -22.708 1.00 13.45 H new ATOM 0 HG1 THR A 45 -2.419 6.017 -23.085 1.00 43.54 H new ATOM 0 HG21 THR A 45 -3.222 8.263 -22.908 1.00 52.12 H new ATOM 0 HG22 THR A 45 -4.543 8.559 -21.752 1.00 52.12 H new ATOM 0 HG23 THR A 45 -2.905 8.195 -21.158 1.00 52.12 H new ATOM 647 N TRP A 46 -6.102 4.299 -21.164 1.00 12.33 N ATOM 648 CA TRP A 46 -6.567 2.922 -21.279 1.00 34.32 C ATOM 649 C TRP A 46 -7.144 2.656 -22.665 1.00 13.01 C ATOM 650 O TRP A 46 -7.511 3.586 -23.383 1.00 44.24 O ATOM 651 CB TRP A 46 -7.620 2.626 -20.209 1.00 52.24 C ATOM 652 CG TRP A 46 -7.628 3.625 -19.092 1.00 22.45 C ATOM 653 CD1 TRP A 46 -6.625 3.858 -18.194 1.00 72.21 C ATOM 654 CD2 TRP A 46 -8.690 4.522 -18.752 1.00 11.43 C ATOM 655 NE1 TRP A 46 -7.000 4.847 -17.317 1.00 32.53 N ATOM 656 CE2 TRP A 46 -8.262 5.271 -17.638 1.00 12.30 C ATOM 657 CE3 TRP A 46 -9.960 4.768 -19.281 1.00 1.12 C ATOM 658 CZ2 TRP A 46 -9.061 6.246 -17.046 1.00 4.22 C ATOM 659 CZ3 TRP A 46 -10.751 5.736 -18.692 1.00 31.33 C ATOM 660 CH2 TRP A 46 -10.299 6.466 -17.584 1.00 73.23 C ATOM 0 H TRP A 46 -6.757 4.996 -21.517 1.00 12.33 H new ATOM 0 HA TRP A 46 -5.712 2.263 -21.129 1.00 34.32 H new ATOM 0 HB2 TRP A 46 -8.605 2.605 -20.675 1.00 52.24 H new ATOM 0 HB3 TRP A 46 -7.440 1.633 -19.797 1.00 52.24 H new ATOM 0 HD1 TRP A 46 -5.677 3.341 -18.176 1.00 72.21 H new ATOM 0 HE1 TRP A 46 -6.431 5.207 -16.551 1.00 32.53 H new ATOM 0 HE3 TRP A 46 -10.317 4.211 -20.135 1.00 1.12 H new ATOM 0 HZ2 TRP A 46 -8.715 6.809 -16.192 1.00 4.22 H new ATOM 0 HZ3 TRP A 46 -11.734 5.933 -19.092 1.00 31.33 H new ATOM 0 HH2 TRP A 46 -10.941 7.217 -17.147 1.00 73.23 H new ATOM 671 N ARG A 47 -7.223 1.382 -23.034 1.00 64.23 N ATOM 672 CA ARG A 47 -7.755 0.995 -24.335 1.00 64.14 C ATOM 673 C ARG A 47 -9.065 0.228 -24.181 1.00 0.50 C ATOM 674 O ARG A 47 -9.168 -0.688 -23.365 1.00 40.21 O ATOM 675 CB ARG A 47 -6.737 0.139 -25.092 1.00 50.22 C ATOM 676 CG ARG A 47 -5.509 0.911 -25.545 1.00 5.44 C ATOM 677 CD ARG A 47 -4.297 0.582 -24.687 1.00 3.51 C ATOM 678 NE ARG A 47 -3.127 1.369 -25.068 1.00 2.54 N ATOM 679 CZ ARG A 47 -2.382 1.109 -26.136 1.00 52.34 C ATOM 680 NH1 ARG A 47 -2.685 0.089 -26.927 1.00 24.54 N ATOM 681 NH2 ARG A 47 -1.333 1.872 -26.417 1.00 21.50 N ATOM 0 H ARG A 47 -6.925 0.600 -22.450 1.00 64.23 H new ATOM 0 HA ARG A 47 -7.951 1.904 -24.904 1.00 64.14 H new ATOM 0 HB2 ARG A 47 -6.422 -0.686 -24.453 1.00 50.22 H new ATOM 0 HB3 ARG A 47 -7.221 -0.301 -25.964 1.00 50.22 H new ATOM 0 HG2 ARG A 47 -5.293 0.675 -26.587 1.00 5.44 H new ATOM 0 HG3 ARG A 47 -5.712 1.981 -25.496 1.00 5.44 H new ATOM 0 HD2 ARG A 47 -4.533 0.768 -23.639 1.00 3.51 H new ATOM 0 HD3 ARG A 47 -4.065 -0.479 -24.778 1.00 3.51 H new ATOM 0 HE ARG A 47 -2.868 2.162 -24.481 1.00 2.54 H new ATOM 0 HH11 ARG A 47 -3.492 -0.498 -26.716 1.00 24.54 H new ATOM 0 HH12 ARG A 47 -2.111 -0.109 -27.747 1.00 24.54 H new ATOM 0 HH21 ARG A 47 -1.098 2.659 -25.812 1.00 21.50 H new ATOM 0 HH22 ARG A 47 -0.762 1.671 -27.238 1.00 21.50 H new ATOM 695 N PHE A 48 -10.064 0.610 -24.969 1.00 52.35 N ATOM 696 CA PHE A 48 -11.369 -0.040 -24.920 1.00 3.45 C ATOM 697 C PHE A 48 -11.752 -0.596 -26.288 1.00 10.32 C ATOM 698 O PHE A 48 -11.606 0.079 -27.307 1.00 63.14 O ATOM 699 CB PHE A 48 -12.436 0.947 -24.440 1.00 65.12 C ATOM 700 CG PHE A 48 -12.619 0.954 -22.949 1.00 44.45 C ATOM 701 CD1 PHE A 48 -13.473 0.051 -22.339 1.00 34.03 C ATOM 702 CD2 PHE A 48 -11.935 1.864 -22.159 1.00 15.31 C ATOM 703 CE1 PHE A 48 -13.644 0.056 -20.967 1.00 52.42 C ATOM 704 CE2 PHE A 48 -12.102 1.874 -20.787 1.00 1.23 C ATOM 705 CZ PHE A 48 -12.957 0.968 -20.190 1.00 43.22 C ATOM 0 H PHE A 48 -9.995 1.367 -25.650 1.00 52.35 H new ATOM 0 HA PHE A 48 -11.308 -0.869 -24.215 1.00 3.45 H new ATOM 0 HB2 PHE A 48 -12.166 1.950 -24.770 1.00 65.12 H new ATOM 0 HB3 PHE A 48 -13.386 0.701 -24.914 1.00 65.12 H new ATOM 0 HD1 PHE A 48 -14.012 -0.665 -22.942 1.00 34.03 H new ATOM 0 HD2 PHE A 48 -11.264 2.573 -22.620 1.00 15.31 H new ATOM 0 HE1 PHE A 48 -14.314 -0.653 -20.503 1.00 52.42 H new ATOM 0 HE2 PHE A 48 -11.565 2.589 -20.182 1.00 1.23 H new ATOM 0 HZ PHE A 48 -13.088 0.973 -19.118 1.00 43.22 H new ATOM 715 N TYR A 49 -12.243 -1.830 -26.302 1.00 3.14 N ATOM 716 CA TYR A 49 -12.645 -2.479 -27.544 1.00 5.10 C ATOM 717 C TYR A 49 -13.597 -3.639 -27.269 1.00 44.15 C ATOM 718 O TYR A 49 -13.380 -4.430 -26.352 1.00 44.22 O ATOM 719 CB TYR A 49 -11.415 -2.982 -28.302 1.00 21.11 C ATOM 720 CG TYR A 49 -10.343 -3.556 -27.403 1.00 62.34 C ATOM 721 CD1 TYR A 49 -10.417 -4.868 -26.952 1.00 21.32 C ATOM 722 CD2 TYR A 49 -9.257 -2.787 -27.005 1.00 44.13 C ATOM 723 CE1 TYR A 49 -9.440 -5.397 -26.130 1.00 72.12 C ATOM 724 CE2 TYR A 49 -8.275 -3.308 -26.185 1.00 44.22 C ATOM 725 CZ TYR A 49 -8.371 -4.613 -25.750 1.00 61.21 C ATOM 726 OH TYR A 49 -7.396 -5.135 -24.932 1.00 25.31 O ATOM 0 H TYR A 49 -12.372 -2.401 -25.467 1.00 3.14 H new ATOM 0 HA TYR A 49 -13.166 -1.743 -28.157 1.00 5.10 H new ATOM 0 HB2 TYR A 49 -11.725 -3.745 -29.016 1.00 21.11 H new ATOM 0 HB3 TYR A 49 -10.992 -2.159 -28.878 1.00 21.11 H new ATOM 0 HD1 TYR A 49 -11.252 -5.485 -27.249 1.00 21.32 H new ATOM 0 HD2 TYR A 49 -9.179 -1.764 -27.342 1.00 44.13 H new ATOM 0 HE1 TYR A 49 -9.513 -6.419 -25.787 1.00 72.12 H new ATOM 0 HE2 TYR A 49 -7.436 -2.696 -25.886 1.00 44.22 H new ATOM 0 HH TYR A 49 -6.734 -5.612 -25.475 1.00 25.31 H new ATOM 736 N GLU A 50 -14.652 -3.733 -28.073 1.00 3.32 N ATOM 737 CA GLU A 50 -15.638 -4.796 -27.917 1.00 4.33 C ATOM 738 C GLU A 50 -15.315 -5.975 -28.830 1.00 33.11 C ATOM 739 O GLU A 50 -16.071 -6.286 -29.751 1.00 11.22 O ATOM 740 CB GLU A 50 -17.041 -4.269 -28.222 1.00 52.33 C ATOM 741 CG GLU A 50 -17.169 -3.639 -29.599 1.00 45.02 C ATOM 742 CD GLU A 50 -18.354 -4.174 -30.378 1.00 71.53 C ATOM 743 OE1 GLU A 50 -18.438 -5.408 -30.556 1.00 14.14 O ATOM 744 OE2 GLU A 50 -19.197 -3.361 -30.811 1.00 20.13 O ATOM 0 H GLU A 50 -14.845 -3.087 -28.838 1.00 3.32 H new ATOM 0 HA GLU A 50 -15.604 -5.140 -26.883 1.00 4.33 H new ATOM 0 HB2 GLU A 50 -17.754 -5.089 -28.139 1.00 52.33 H new ATOM 0 HB3 GLU A 50 -17.315 -3.532 -27.468 1.00 52.33 H new ATOM 0 HG2 GLU A 50 -17.267 -2.559 -29.492 1.00 45.02 H new ATOM 0 HG3 GLU A 50 -16.255 -3.822 -30.164 1.00 45.02 H new ATOM 751 N TYR A 51 -14.188 -6.627 -28.568 1.00 71.31 N ATOM 752 CA TYR A 51 -13.763 -7.770 -29.367 1.00 72.44 C ATOM 753 C TYR A 51 -12.404 -8.284 -28.903 1.00 62.44 C ATOM 754 O TYR A 51 -11.895 -7.872 -27.861 1.00 1.03 O ATOM 755 CB TYR A 51 -13.699 -7.389 -30.847 1.00 42.12 C ATOM 756 CG TYR A 51 -14.632 -8.196 -31.722 1.00 2.43 C ATOM 757 CD1 TYR A 51 -14.706 -9.578 -31.603 1.00 1.11 C ATOM 758 CD2 TYR A 51 -15.440 -7.575 -32.666 1.00 73.13 C ATOM 759 CE1 TYR A 51 -15.556 -10.319 -32.400 1.00 54.24 C ATOM 760 CE2 TYR A 51 -16.295 -8.308 -33.467 1.00 41.11 C ATOM 761 CZ TYR A 51 -16.349 -9.679 -33.331 1.00 21.33 C ATOM 762 OH TYR A 51 -17.198 -10.414 -34.126 1.00 55.30 O ATOM 0 H TYR A 51 -13.552 -6.384 -27.808 1.00 71.31 H new ATOM 0 HA TYR A 51 -14.496 -8.566 -29.235 1.00 72.44 H new ATOM 0 HB2 TYR A 51 -13.941 -6.331 -30.952 1.00 42.12 H new ATOM 0 HB3 TYR A 51 -12.677 -7.519 -31.203 1.00 42.12 H new ATOM 0 HD1 TYR A 51 -14.088 -10.082 -30.874 1.00 1.11 H new ATOM 0 HD2 TYR A 51 -15.399 -6.501 -32.776 1.00 73.13 H new ATOM 0 HE1 TYR A 51 -15.600 -11.393 -32.296 1.00 54.24 H new ATOM 0 HE2 TYR A 51 -16.917 -7.810 -34.195 1.00 41.11 H new ATOM 0 HH TYR A 51 -17.686 -9.813 -34.727 1.00 55.30 H new ATOM 772 N ILE A 52 -11.821 -9.187 -29.686 1.00 14.41 N ATOM 773 CA ILE A 52 -10.520 -9.756 -29.357 1.00 75.13 C ATOM 774 C ILE A 52 -9.458 -8.669 -29.240 1.00 40.53 C ATOM 775 O ILE A 52 -9.753 -7.482 -29.374 1.00 42.23 O ATOM 776 CB ILE A 52 -10.073 -10.784 -30.413 1.00 41.13 C ATOM 777 CG1 ILE A 52 -10.198 -10.191 -31.818 1.00 62.34 C ATOM 778 CG2 ILE A 52 -10.896 -12.058 -30.295 1.00 10.22 C ATOM 779 CD1 ILE A 52 -9.595 -11.063 -32.898 1.00 4.14 C ATOM 0 H ILE A 52 -12.229 -9.540 -30.552 1.00 14.41 H new ATOM 0 HA ILE A 52 -10.629 -10.258 -28.396 1.00 75.13 H new ATOM 0 HB ILE A 52 -9.027 -11.033 -30.235 1.00 41.13 H new ATOM 0 HG12 ILE A 52 -11.252 -10.026 -32.042 1.00 62.34 H new ATOM 0 HG13 ILE A 52 -9.712 -9.215 -31.836 1.00 62.34 H new ATOM 0 HG21 ILE A 52 -10.568 -12.774 -31.048 1.00 10.22 H new ATOM 0 HG22 ILE A 52 -10.761 -12.488 -29.302 1.00 10.22 H new ATOM 0 HG23 ILE A 52 -11.950 -11.826 -30.450 1.00 10.22 H new ATOM 0 HD11 ILE A 52 -9.720 -10.580 -33.867 1.00 4.14 H new ATOM 0 HD12 ILE A 52 -8.533 -11.207 -32.699 1.00 4.14 H new ATOM 0 HD13 ILE A 52 -10.097 -12.030 -32.907 1.00 4.14 H new ATOM 791 N ASN A 53 -8.220 -9.083 -28.991 1.00 0.20 N ATOM 792 CA ASN A 53 -7.112 -8.144 -28.857 1.00 51.22 C ATOM 793 C ASN A 53 -6.394 -7.956 -30.190 1.00 53.03 C ATOM 794 O ASN A 53 -5.201 -7.654 -30.228 1.00 13.43 O ATOM 795 CB ASN A 53 -6.124 -8.636 -27.798 1.00 21.20 C ATOM 796 CG ASN A 53 -5.228 -7.526 -27.283 1.00 33.35 C ATOM 797 OD1 ASN A 53 -5.634 -6.366 -27.218 1.00 42.31 O ATOM 798 ND2 ASN A 53 -4.003 -7.879 -26.913 1.00 24.04 N ATOM 0 H ASN A 53 -7.959 -10.062 -28.878 1.00 0.20 H new ATOM 0 HA ASN A 53 -7.519 -7.182 -28.545 1.00 51.22 H new ATOM 0 HB2 ASN A 53 -6.676 -9.070 -26.964 1.00 21.20 H new ATOM 0 HB3 ASN A 53 -5.508 -9.430 -28.221 1.00 21.20 H new ATOM 0 HD21 ASN A 53 -3.355 -7.176 -26.557 1.00 24.04 H new ATOM 0 HD22 ASN A 53 -3.710 -8.853 -26.984 1.00 24.04 H new ATOM 805 N TYR A 54 -7.129 -8.137 -31.282 1.00 50.30 N ATOM 806 CA TYR A 54 -6.563 -7.989 -32.618 1.00 23.05 C ATOM 807 C TYR A 54 -7.644 -8.122 -33.686 1.00 11.45 C ATOM 808 O TYR A 54 -7.430 -8.737 -34.729 1.00 31.31 O ATOM 809 CB TYR A 54 -5.470 -9.034 -32.849 1.00 73.34 C ATOM 810 CG TYR A 54 -5.988 -10.455 -32.878 1.00 4.23 C ATOM 811 CD1 TYR A 54 -6.443 -11.072 -31.719 1.00 64.20 C ATOM 812 CD2 TYR A 54 -6.021 -11.180 -34.062 1.00 44.34 C ATOM 813 CE1 TYR A 54 -6.915 -12.370 -31.740 1.00 35.13 C ATOM 814 CE2 TYR A 54 -6.493 -12.477 -34.093 1.00 32.42 C ATOM 815 CZ TYR A 54 -6.939 -13.068 -32.929 1.00 73.30 C ATOM 816 OH TYR A 54 -7.409 -14.361 -32.955 1.00 34.31 O ATOM 0 H TYR A 54 -8.118 -8.386 -31.268 1.00 50.30 H new ATOM 0 HA TYR A 54 -6.126 -6.993 -32.692 1.00 23.05 H new ATOM 0 HB2 TYR A 54 -4.968 -8.820 -33.792 1.00 73.34 H new ATOM 0 HB3 TYR A 54 -4.721 -8.945 -32.062 1.00 73.34 H new ATOM 0 HD1 TYR A 54 -6.427 -10.528 -30.786 1.00 64.20 H new ATOM 0 HD2 TYR A 54 -5.671 -10.721 -34.975 1.00 44.34 H new ATOM 0 HE1 TYR A 54 -7.263 -12.836 -30.830 1.00 35.13 H new ATOM 0 HE2 TYR A 54 -6.513 -13.026 -35.023 1.00 32.42 H new ATOM 0 HH TYR A 54 -7.359 -14.709 -33.870 1.00 34.31 H new ATOM 826 N GLY A 55 -8.808 -7.538 -33.416 1.00 1.41 N ATOM 827 CA GLY A 55 -9.906 -7.601 -34.362 1.00 53.33 C ATOM 828 C GLY A 55 -11.192 -7.030 -33.797 1.00 42.23 C ATOM 829 O GLY A 55 -12.198 -7.730 -33.696 1.00 14.10 O ATOM 0 H GLY A 55 -9.010 -7.023 -32.559 1.00 1.41 H new ATOM 0 HA2 GLY A 55 -9.635 -7.054 -35.265 1.00 53.33 H new ATOM 0 HA3 GLY A 55 -10.070 -8.638 -34.655 1.00 53.33 H new ATOM 833 N GLY A 56 -11.158 -5.753 -33.426 1.00 72.42 N ATOM 834 CA GLY A 56 -12.335 -5.111 -32.871 1.00 51.01 C ATOM 835 C GLY A 56 -12.265 -3.599 -32.957 1.00 32.23 C ATOM 836 O GLY A 56 -11.346 -3.047 -33.561 1.00 40.14 O ATOM 0 H GLY A 56 -10.337 -5.153 -33.500 1.00 72.42 H new ATOM 0 HA2 GLY A 56 -13.220 -5.461 -33.401 1.00 51.01 H new ATOM 0 HA3 GLY A 56 -12.450 -5.408 -31.828 1.00 51.01 H new ATOM 840 N ARG A 57 -13.240 -2.928 -32.352 1.00 22.24 N ATOM 841 CA ARG A 57 -13.286 -1.471 -32.365 1.00 35.02 C ATOM 842 C ARG A 57 -12.339 -0.887 -31.321 1.00 33.34 C ATOM 843 O ARG A 57 -12.633 -0.900 -30.125 1.00 12.00 O ATOM 844 CB ARG A 57 -14.713 -0.983 -32.105 1.00 2.12 C ATOM 845 CG ARG A 57 -14.807 0.512 -31.847 1.00 14.01 C ATOM 846 CD ARG A 57 -15.221 0.805 -30.413 1.00 62.11 C ATOM 847 NE ARG A 57 -16.477 0.149 -30.061 1.00 12.11 N ATOM 848 CZ ARG A 57 -17.667 0.569 -30.476 1.00 11.30 C ATOM 849 NH1 ARG A 57 -17.762 1.638 -31.254 1.00 42.53 N ATOM 850 NH2 ARG A 57 -18.765 -0.081 -30.113 1.00 13.21 N ATOM 0 H ARG A 57 -14.008 -3.370 -31.847 1.00 22.24 H new ATOM 0 HA ARG A 57 -12.966 -1.131 -33.350 1.00 35.02 H new ATOM 0 HB2 ARG A 57 -15.336 -1.235 -32.963 1.00 2.12 H new ATOM 0 HB3 ARG A 57 -15.120 -1.518 -31.247 1.00 2.12 H new ATOM 0 HG2 ARG A 57 -13.843 0.979 -32.051 1.00 14.01 H new ATOM 0 HG3 ARG A 57 -15.528 0.956 -32.533 1.00 14.01 H new ATOM 0 HD2 ARG A 57 -14.436 0.473 -29.734 1.00 62.11 H new ATOM 0 HD3 ARG A 57 -15.324 1.882 -30.278 1.00 62.11 H new ATOM 0 HE ARG A 57 -16.439 -0.677 -29.464 1.00 12.11 H new ATOM 0 HH11 ARG A 57 -16.920 2.140 -31.536 1.00 42.53 H new ATOM 0 HH12 ARG A 57 -18.677 1.958 -31.571 1.00 42.53 H new ATOM 0 HH21 ARG A 57 -18.696 -0.904 -29.515 1.00 13.21 H new ATOM 0 HH22 ARG A 57 -19.678 0.242 -30.432 1.00 13.21 H new ATOM 864 N TYR A 58 -11.202 -0.377 -31.780 1.00 74.04 N ATOM 865 CA TYR A 58 -10.211 0.209 -30.886 1.00 64.43 C ATOM 866 C TYR A 58 -10.610 1.625 -30.483 1.00 23.21 C ATOM 867 O TYR A 58 -10.905 2.464 -31.333 1.00 40.34 O ATOM 868 CB TYR A 58 -8.836 0.226 -31.557 1.00 22.44 C ATOM 869 CG TYR A 58 -7.816 1.070 -30.826 1.00 54.32 C ATOM 870 CD1 TYR A 58 -7.708 1.021 -29.442 1.00 45.00 C ATOM 871 CD2 TYR A 58 -6.961 1.917 -31.521 1.00 13.22 C ATOM 872 CE1 TYR A 58 -6.778 1.792 -28.771 1.00 32.33 C ATOM 873 CE2 TYR A 58 -6.028 2.690 -30.858 1.00 1.41 C ATOM 874 CZ TYR A 58 -5.941 2.625 -29.483 1.00 25.50 C ATOM 875 OH TYR A 58 -5.012 3.393 -28.818 1.00 74.31 O ATOM 0 H TYR A 58 -10.944 -0.358 -32.767 1.00 74.04 H new ATOM 0 HA TYR A 58 -10.162 -0.405 -29.987 1.00 64.43 H new ATOM 0 HB2 TYR A 58 -8.464 -0.796 -31.630 1.00 22.44 H new ATOM 0 HB3 TYR A 58 -8.942 0.600 -32.575 1.00 22.44 H new ATOM 0 HD1 TYR A 58 -8.362 0.370 -28.881 1.00 45.00 H new ATOM 0 HD2 TYR A 58 -7.027 1.972 -32.598 1.00 13.22 H new ATOM 0 HE1 TYR A 58 -6.707 1.742 -27.694 1.00 32.33 H new ATOM 0 HE2 TYR A 58 -5.370 3.342 -31.413 1.00 1.41 H new ATOM 0 HH TYR A 58 -4.502 3.923 -29.466 1.00 74.31 H new ATOM 885 N TRP A 59 -10.615 1.882 -29.180 1.00 52.01 N ATOM 886 CA TRP A 59 -10.977 3.197 -28.662 1.00 71.33 C ATOM 887 C TRP A 59 -10.338 3.440 -27.300 1.00 4.12 C ATOM 888 O TRP A 59 -10.781 2.895 -26.289 1.00 75.22 O ATOM 889 CB TRP A 59 -12.498 3.325 -28.556 1.00 24.30 C ATOM 890 CG TRP A 59 -12.939 4.323 -27.529 1.00 33.23 C ATOM 891 CD1 TRP A 59 -12.617 5.649 -27.483 1.00 1.10 C ATOM 892 CD2 TRP A 59 -13.782 4.073 -26.399 1.00 12.54 C ATOM 893 NE1 TRP A 59 -13.209 6.239 -26.392 1.00 43.33 N ATOM 894 CE2 TRP A 59 -13.930 5.294 -25.712 1.00 3.44 C ATOM 895 CE3 TRP A 59 -14.428 2.939 -25.901 1.00 74.44 C ATOM 896 CZ2 TRP A 59 -14.695 5.409 -24.554 1.00 53.14 C ATOM 897 CZ3 TRP A 59 -15.188 3.054 -24.753 1.00 3.14 C ATOM 898 CH2 TRP A 59 -15.317 4.282 -24.090 1.00 22.12 C ATOM 0 H TRP A 59 -10.373 1.198 -28.463 1.00 52.01 H new ATOM 0 HA TRP A 59 -10.604 3.949 -29.357 1.00 71.33 H new ATOM 0 HB2 TRP A 59 -12.900 3.612 -29.528 1.00 24.30 H new ATOM 0 HB3 TRP A 59 -12.921 2.351 -28.311 1.00 24.30 H new ATOM 0 HD1 TRP A 59 -11.989 6.159 -28.199 1.00 1.10 H new ATOM 0 HE1 TRP A 59 -13.125 7.221 -26.131 1.00 43.33 H new ATOM 0 HE3 TRP A 59 -14.335 1.988 -26.405 1.00 74.44 H new ATOM 0 HZ2 TRP A 59 -14.794 6.354 -24.041 1.00 53.14 H new ATOM 0 HZ3 TRP A 59 -15.691 2.183 -24.360 1.00 3.14 H new ATOM 0 HH2 TRP A 59 -15.919 4.340 -23.195 1.00 22.12 H new ATOM 909 N ASP A 60 -9.294 4.261 -27.279 1.00 42.53 N ATOM 910 CA ASP A 60 -8.594 4.578 -26.040 1.00 30.14 C ATOM 911 C ASP A 60 -8.951 5.980 -25.557 1.00 2.31 C ATOM 912 O ASP A 60 -9.355 6.836 -26.346 1.00 4.03 O ATOM 913 CB ASP A 60 -7.082 4.463 -26.239 1.00 21.01 C ATOM 914 CG ASP A 60 -6.567 5.396 -27.317 1.00 55.32 C ATOM 915 OD1 ASP A 60 -7.036 5.287 -28.469 1.00 71.53 O ATOM 916 OD2 ASP A 60 -5.696 6.236 -27.009 1.00 65.12 O ATOM 0 H ASP A 60 -8.914 4.719 -28.107 1.00 42.53 H new ATOM 0 HA ASP A 60 -8.908 3.861 -25.281 1.00 30.14 H new ATOM 0 HB2 ASP A 60 -6.577 4.685 -25.299 1.00 21.01 H new ATOM 0 HB3 ASP A 60 -6.830 3.435 -26.501 1.00 21.01 H new ATOM 921 N LEU A 61 -8.800 6.209 -24.257 1.00 55.00 N ATOM 922 CA LEU A 61 -9.108 7.508 -23.668 1.00 62.21 C ATOM 923 C LEU A 61 -8.223 7.779 -22.455 1.00 72.15 C ATOM 924 O LEU A 61 -7.657 6.858 -21.869 1.00 30.41 O ATOM 925 CB LEU A 61 -10.581 7.570 -23.263 1.00 15.22 C ATOM 926 CG LEU A 61 -10.970 6.769 -22.019 1.00 51.45 C ATOM 927 CD1 LEU A 61 -11.753 7.639 -21.048 1.00 32.31 C ATOM 928 CD2 LEU A 61 -11.778 5.540 -22.408 1.00 61.31 C ATOM 0 H LEU A 61 -8.466 5.512 -23.591 1.00 55.00 H new ATOM 0 HA LEU A 61 -8.911 8.275 -24.417 1.00 62.21 H new ATOM 0 HB2 LEU A 61 -10.848 8.614 -23.097 1.00 15.22 H new ATOM 0 HB3 LEU A 61 -11.183 7.217 -24.101 1.00 15.22 H new ATOM 0 HG LEU A 61 -10.058 6.437 -21.523 1.00 51.45 H new ATOM 0 HD11 LEU A 61 -12.021 7.053 -20.169 1.00 32.31 H new ATOM 0 HD12 LEU A 61 -11.140 8.488 -20.745 1.00 32.31 H new ATOM 0 HD13 LEU A 61 -12.659 8.001 -21.533 1.00 32.31 H new ATOM 0 HD21 LEU A 61 -12.046 4.982 -21.511 1.00 61.31 H new ATOM 0 HD22 LEU A 61 -12.685 5.850 -22.927 1.00 61.31 H new ATOM 0 HD23 LEU A 61 -11.183 4.906 -23.065 1.00 61.31 H new ATOM 940 N GLY A 62 -8.111 9.051 -22.084 1.00 24.44 N ATOM 941 CA GLY A 62 -7.295 9.420 -20.941 1.00 53.14 C ATOM 942 C GLY A 62 -8.106 9.547 -19.667 1.00 31.51 C ATOM 943 O GLY A 62 -9.284 9.192 -19.618 1.00 31.05 O ATOM 0 H GLY A 62 -8.570 9.832 -22.554 1.00 24.44 H new ATOM 0 HA2 GLY A 62 -6.515 8.672 -20.799 1.00 53.14 H new ATOM 0 HA3 GLY A 62 -6.795 10.367 -21.146 1.00 53.14 H new ATOM 947 N PRO A 63 -7.469 10.062 -18.605 1.00 34.54 N ATOM 948 CA PRO A 63 -8.120 10.244 -17.304 1.00 12.42 C ATOM 949 C PRO A 63 -9.362 11.124 -17.396 1.00 11.45 C ATOM 950 O PRO A 63 -9.268 12.351 -17.384 1.00 1.03 O ATOM 951 CB PRO A 63 -7.041 10.928 -16.460 1.00 52.45 C ATOM 952 CG PRO A 63 -5.758 10.582 -17.134 1.00 31.04 C ATOM 953 CD PRO A 63 -6.065 10.505 -18.592 1.00 14.44 C ATOM 0 HA PRO A 63 -8.471 9.300 -16.888 1.00 12.42 H new ATOM 0 HB2 PRO A 63 -7.191 12.007 -16.424 1.00 52.45 H new ATOM 0 HB3 PRO A 63 -7.057 10.570 -15.431 1.00 52.45 H new ATOM 0 HG2 PRO A 63 -4.997 11.337 -16.935 1.00 31.04 H new ATOM 0 HG3 PRO A 63 -5.368 9.632 -16.767 1.00 31.04 H new ATOM 0 HD2 PRO A 63 -5.940 11.470 -19.083 1.00 14.44 H new ATOM 0 HD3 PRO A 63 -5.413 9.799 -19.106 1.00 14.44 H new ATOM 961 N GLY A 64 -10.527 10.489 -17.487 1.00 3.33 N ATOM 962 CA GLY A 64 -11.771 11.231 -17.579 1.00 22.23 C ATOM 963 C GLY A 64 -12.987 10.352 -17.362 1.00 2.12 C ATOM 964 O GLY A 64 -12.906 9.130 -17.481 1.00 0.11 O ATOM 0 H GLY A 64 -10.631 9.474 -17.499 1.00 3.33 H new ATOM 0 HA2 GLY A 64 -11.769 12.032 -16.839 1.00 22.23 H new ATOM 0 HA3 GLY A 64 -11.838 11.703 -18.559 1.00 22.23 H new ATOM 968 N GLU A 65 -14.116 10.976 -17.041 1.00 31.21 N ATOM 969 CA GLU A 65 -15.353 10.241 -16.804 1.00 72.13 C ATOM 970 C GLU A 65 -16.359 10.494 -17.924 1.00 10.34 C ATOM 971 O GLU A 65 -16.397 11.579 -18.505 1.00 60.11 O ATOM 972 CB GLU A 65 -15.960 10.641 -15.458 1.00 34.31 C ATOM 973 CG GLU A 65 -17.316 10.009 -15.190 1.00 51.12 C ATOM 974 CD GLU A 65 -18.465 10.852 -15.709 1.00 31.03 C ATOM 975 OE1 GLU A 65 -18.566 12.029 -15.304 1.00 15.04 O ATOM 976 OE2 GLU A 65 -19.262 10.335 -16.519 1.00 14.22 O ATOM 0 H GLU A 65 -14.200 11.987 -16.939 1.00 31.21 H new ATOM 0 HA GLU A 65 -15.116 9.177 -16.785 1.00 72.13 H new ATOM 0 HB2 GLU A 65 -15.273 10.358 -14.661 1.00 34.31 H new ATOM 0 HB3 GLU A 65 -16.061 11.726 -15.422 1.00 34.31 H new ATOM 0 HG2 GLU A 65 -17.353 9.025 -15.657 1.00 51.12 H new ATOM 0 HG3 GLU A 65 -17.437 9.858 -14.117 1.00 51.12 H new ATOM 983 N TYR A 66 -17.171 9.486 -18.220 1.00 73.00 N ATOM 984 CA TYR A 66 -18.176 9.597 -19.271 1.00 44.32 C ATOM 985 C TYR A 66 -19.267 8.546 -19.096 1.00 23.52 C ATOM 986 O TYR A 66 -19.074 7.543 -18.407 1.00 42.44 O ATOM 987 CB TYR A 66 -17.523 9.447 -20.647 1.00 14.14 C ATOM 988 CG TYR A 66 -17.704 8.075 -21.256 1.00 54.31 C ATOM 989 CD1 TYR A 66 -16.931 7.000 -20.838 1.00 64.11 C ATOM 990 CD2 TYR A 66 -18.650 7.855 -22.250 1.00 35.43 C ATOM 991 CE1 TYR A 66 -17.092 5.745 -21.393 1.00 12.22 C ATOM 992 CE2 TYR A 66 -18.820 6.603 -22.809 1.00 70.11 C ATOM 993 CZ TYR A 66 -18.038 5.552 -22.378 1.00 33.43 C ATOM 994 OH TYR A 66 -18.203 4.303 -22.932 1.00 33.12 O ATOM 0 H TYR A 66 -17.153 8.582 -17.747 1.00 73.00 H new ATOM 0 HA TYR A 66 -18.634 10.584 -19.198 1.00 44.32 H new ATOM 0 HB2 TYR A 66 -17.942 10.193 -21.322 1.00 14.14 H new ATOM 0 HB3 TYR A 66 -16.457 9.659 -20.559 1.00 14.14 H new ATOM 0 HD1 TYR A 66 -16.191 7.147 -20.065 1.00 64.11 H new ATOM 0 HD2 TYR A 66 -19.263 8.676 -22.591 1.00 35.43 H new ATOM 0 HE1 TYR A 66 -16.481 4.920 -21.058 1.00 12.22 H new ATOM 0 HE2 TYR A 66 -19.561 6.448 -23.579 1.00 70.11 H new ATOM 0 HH TYR A 66 -17.439 4.098 -23.510 1.00 33.12 H new ATOM 1004 N SER A 67 -20.414 8.782 -19.725 1.00 23.43 N ATOM 1005 CA SER A 67 -21.538 7.857 -19.637 1.00 11.33 C ATOM 1006 C SER A 67 -22.515 8.079 -20.787 1.00 40.04 C ATOM 1007 O SER A 67 -23.604 8.620 -20.596 1.00 71.13 O ATOM 1008 CB SER A 67 -22.261 8.027 -18.299 1.00 72.51 C ATOM 1009 OG SER A 67 -22.843 9.314 -18.193 1.00 55.15 O ATOM 0 H SER A 67 -20.589 9.605 -20.301 1.00 23.43 H new ATOM 0 HA SER A 67 -21.148 6.842 -19.705 1.00 11.33 H new ATOM 0 HB2 SER A 67 -23.035 7.266 -18.201 1.00 72.51 H new ATOM 0 HB3 SER A 67 -21.558 7.874 -17.480 1.00 72.51 H new ATOM 0 HG SER A 67 -23.452 9.461 -18.947 1.00 55.15 H new ATOM 1015 N SER A 68 -22.117 7.657 -21.983 1.00 65.02 N ATOM 1016 CA SER A 68 -22.954 7.812 -23.167 1.00 10.22 C ATOM 1017 C SER A 68 -24.046 6.747 -23.203 1.00 50.41 C ATOM 1018 O SER A 68 -24.115 5.883 -22.330 1.00 33.44 O ATOM 1019 CB SER A 68 -22.102 7.729 -24.435 1.00 31.32 C ATOM 1020 OG SER A 68 -21.132 8.761 -24.467 1.00 13.43 O ATOM 0 H SER A 68 -21.220 7.205 -22.158 1.00 65.02 H new ATOM 0 HA SER A 68 -23.428 8.792 -23.121 1.00 10.22 H new ATOM 0 HB2 SER A 68 -21.607 6.759 -24.481 1.00 31.32 H new ATOM 0 HB3 SER A 68 -22.744 7.802 -25.313 1.00 31.32 H new ATOM 0 HG SER A 68 -20.291 8.431 -24.087 1.00 13.43 H new ATOM 1026 N VAL A 69 -24.898 6.817 -24.221 1.00 13.22 N ATOM 1027 CA VAL A 69 -25.987 5.860 -24.373 1.00 71.42 C ATOM 1028 C VAL A 69 -26.454 5.784 -25.823 1.00 23.04 C ATOM 1029 O VAL A 69 -27.582 5.380 -26.101 1.00 30.21 O ATOM 1030 CB VAL A 69 -27.186 6.225 -23.478 1.00 1.51 C ATOM 1031 CG1 VAL A 69 -27.906 7.449 -24.023 1.00 40.24 C ATOM 1032 CG2 VAL A 69 -28.139 5.046 -23.356 1.00 41.11 C ATOM 0 H VAL A 69 -24.855 7.527 -24.952 1.00 13.22 H new ATOM 0 HA VAL A 69 -25.598 4.889 -24.068 1.00 71.42 H new ATOM 0 HB VAL A 69 -26.813 6.465 -22.482 1.00 1.51 H new ATOM 0 HG11 VAL A 69 -28.750 7.692 -23.378 1.00 40.24 H new ATOM 0 HG12 VAL A 69 -27.217 8.293 -24.053 1.00 40.24 H new ATOM 0 HG13 VAL A 69 -28.267 7.240 -25.030 1.00 40.24 H new ATOM 0 HG21 VAL A 69 -28.980 5.322 -22.720 1.00 41.11 H new ATOM 0 HG22 VAL A 69 -28.507 4.771 -24.345 1.00 41.11 H new ATOM 0 HG23 VAL A 69 -27.614 4.198 -22.916 1.00 41.11 H new ATOM 1042 N GLU A 70 -25.577 6.175 -26.742 1.00 1.50 N ATOM 1043 CA GLU A 70 -25.900 6.152 -28.164 1.00 11.03 C ATOM 1044 C GLU A 70 -24.760 6.738 -28.991 1.00 5.43 C ATOM 1045 O GLU A 70 -24.579 6.387 -30.156 1.00 72.44 O ATOM 1046 CB GLU A 70 -27.190 6.931 -28.429 1.00 40.11 C ATOM 1047 CG GLU A 70 -27.273 8.247 -27.673 1.00 61.34 C ATOM 1048 CD GLU A 70 -27.891 9.357 -28.501 1.00 32.22 C ATOM 1049 OE1 GLU A 70 -27.188 9.911 -29.371 1.00 0.21 O ATOM 1050 OE2 GLU A 70 -29.079 9.671 -28.278 1.00 34.32 O ATOM 0 H GLU A 70 -24.638 6.511 -26.528 1.00 1.50 H new ATOM 0 HA GLU A 70 -26.044 5.113 -28.461 1.00 11.03 H new ATOM 0 HB2 GLU A 70 -27.271 7.130 -29.498 1.00 40.11 H new ATOM 0 HB3 GLU A 70 -28.043 6.310 -28.155 1.00 40.11 H new ATOM 0 HG2 GLU A 70 -27.861 8.104 -26.766 1.00 61.34 H new ATOM 0 HG3 GLU A 70 -26.273 8.546 -27.360 1.00 61.34 H new ATOM 1057 N SER A 71 -23.993 7.635 -28.378 1.00 43.15 N ATOM 1058 CA SER A 71 -22.872 8.274 -29.058 1.00 52.24 C ATOM 1059 C SER A 71 -21.588 7.476 -28.857 1.00 62.12 C ATOM 1060 O SER A 71 -20.486 7.999 -29.022 1.00 54.42 O ATOM 1061 CB SER A 71 -22.684 9.703 -28.544 1.00 70.23 C ATOM 1062 OG SER A 71 -22.003 10.502 -29.496 1.00 61.20 O ATOM 0 H SER A 71 -24.127 7.935 -27.413 1.00 43.15 H new ATOM 0 HA SER A 71 -23.096 8.305 -30.124 1.00 52.24 H new ATOM 0 HB2 SER A 71 -23.656 10.144 -28.323 1.00 70.23 H new ATOM 0 HB3 SER A 71 -22.122 9.686 -27.610 1.00 70.23 H new ATOM 0 HG SER A 71 -21.184 10.045 -29.780 1.00 61.20 H new ATOM 1068 N ALA A 72 -21.739 6.205 -28.499 1.00 65.25 N ATOM 1069 CA ALA A 72 -20.592 5.333 -28.277 1.00 60.44 C ATOM 1070 C ALA A 72 -20.801 3.973 -28.936 1.00 3.12 C ATOM 1071 O ALA A 72 -20.171 2.986 -28.557 1.00 54.14 O ATOM 1072 CB ALA A 72 -20.337 5.166 -26.787 1.00 23.32 C ATOM 0 H ALA A 72 -22.644 5.756 -28.357 1.00 65.25 H new ATOM 0 HA ALA A 72 -19.719 5.799 -28.734 1.00 60.44 H new ATOM 0 HB1 ALA A 72 -19.478 4.512 -26.636 1.00 23.32 H new ATOM 0 HB2 ALA A 72 -20.135 6.140 -26.341 1.00 23.32 H new ATOM 0 HB3 ALA A 72 -21.215 4.726 -26.315 1.00 23.32 H new ATOM 1078 N GLY A 73 -21.690 3.929 -29.924 1.00 2.24 N ATOM 1079 CA GLY A 73 -21.966 2.685 -30.618 1.00 51.21 C ATOM 1080 C GLY A 73 -22.641 1.662 -29.727 1.00 74.53 C ATOM 1081 O GLY A 73 -22.261 1.490 -28.569 1.00 21.02 O ATOM 0 H GLY A 73 -22.224 4.732 -30.256 1.00 2.24 H new ATOM 0 HA2 GLY A 73 -22.601 2.887 -31.480 1.00 51.21 H new ATOM 0 HA3 GLY A 73 -21.033 2.271 -31.000 1.00 51.21 H new ATOM 1085 N ILE A 74 -23.647 0.981 -30.267 1.00 42.14 N ATOM 1086 CA ILE A 74 -24.377 -0.030 -29.513 1.00 24.21 C ATOM 1087 C ILE A 74 -24.574 -1.297 -30.339 1.00 44.31 C ATOM 1088 O ILE A 74 -25.695 -1.688 -30.663 1.00 70.12 O ATOM 1089 CB ILE A 74 -25.752 0.491 -29.057 1.00 53.12 C ATOM 1090 CG1 ILE A 74 -25.604 1.848 -28.366 1.00 32.15 C ATOM 1091 CG2 ILE A 74 -26.418 -0.513 -28.128 1.00 71.24 C ATOM 1092 CD1 ILE A 74 -24.851 1.779 -27.056 1.00 10.35 C ATOM 0 H ILE A 74 -23.975 1.112 -31.224 1.00 42.14 H new ATOM 0 HA ILE A 74 -23.776 -0.262 -28.634 1.00 24.21 H new ATOM 0 HB ILE A 74 -26.385 0.619 -29.935 1.00 53.12 H new ATOM 0 HG12 ILE A 74 -25.087 2.534 -29.037 1.00 32.15 H new ATOM 0 HG13 ILE A 74 -26.595 2.265 -28.185 1.00 32.15 H new ATOM 0 HG21 ILE A 74 -27.389 -0.130 -27.814 1.00 71.24 H new ATOM 0 HG22 ILE A 74 -26.553 -1.459 -28.652 1.00 71.24 H new ATOM 0 HG23 ILE A 74 -25.790 -0.670 -27.251 1.00 71.24 H new ATOM 0 HD11 ILE A 74 -24.784 2.777 -26.622 1.00 10.35 H new ATOM 0 HD12 ILE A 74 -25.378 1.118 -26.368 1.00 10.35 H new ATOM 0 HD13 ILE A 74 -23.847 1.392 -27.233 1.00 10.35 H new ATOM 1104 N PRO A 75 -23.458 -1.955 -30.688 1.00 33.35 N ATOM 1105 CA PRO A 75 -23.482 -3.189 -31.478 1.00 71.44 C ATOM 1106 C PRO A 75 -23.600 -4.435 -30.606 1.00 51.42 C ATOM 1107 O PRO A 75 -24.568 -5.188 -30.712 1.00 23.54 O ATOM 1108 CB PRO A 75 -22.135 -3.171 -32.205 1.00 20.10 C ATOM 1109 CG PRO A 75 -21.645 -1.772 -32.059 1.00 41.21 C ATOM 1110 CD PRO A 75 -22.088 -1.546 -30.336 1.00 31.32 C ATOM 0 HA PRO A 75 -24.342 -3.228 -32.146 1.00 71.44 H new ATOM 0 HB2 PRO A 75 -21.437 -3.883 -31.764 1.00 20.10 H new ATOM 0 HB3 PRO A 75 -22.248 -3.444 -33.254 1.00 20.10 H new ATOM 0 HG2 PRO A 75 -20.575 -1.673 -32.242 1.00 41.21 H new ATOM 0 HG3 PRO A 75 -22.148 -1.071 -32.725 1.00 41.21 H new ATOM 0 HD2 PRO A 75 -21.572 -2.200 -29.632 1.00 31.32 H new ATOM 0 HD3 PRO A 75 -21.988 -0.528 -29.958 1.00 31.32 H new ATOM 1118 N ASP A 76 -22.610 -4.644 -29.745 1.00 73.24 N ATOM 1119 CA ASP A 76 -22.604 -5.798 -28.853 1.00 51.24 C ATOM 1120 C ASP A 76 -21.365 -5.791 -27.964 1.00 44.52 C ATOM 1121 O ASP A 76 -20.250 -5.577 -28.439 1.00 23.45 O ATOM 1122 CB ASP A 76 -22.659 -7.095 -29.662 1.00 52.11 C ATOM 1123 CG ASP A 76 -23.645 -8.093 -29.089 1.00 34.35 C ATOM 1124 OD1 ASP A 76 -23.435 -8.544 -27.943 1.00 14.03 O ATOM 1125 OD2 ASP A 76 -24.628 -8.423 -29.785 1.00 63.30 O ATOM 0 H ASP A 76 -21.802 -4.030 -29.646 1.00 73.24 H new ATOM 0 HA ASP A 76 -23.487 -5.738 -28.216 1.00 51.24 H new ATOM 0 HB2 ASP A 76 -22.935 -6.866 -30.691 1.00 52.11 H new ATOM 0 HB3 ASP A 76 -21.666 -7.545 -29.690 1.00 52.11 H new ATOM 1130 N ASN A 77 -21.568 -6.024 -26.672 1.00 14.33 N ATOM 1131 CA ASN A 77 -20.467 -6.042 -25.715 1.00 74.34 C ATOM 1132 C ASN A 77 -19.904 -7.452 -25.562 1.00 0.21 C ATOM 1133 O ASN A 77 -19.558 -7.876 -24.459 1.00 71.55 O ATOM 1134 CB ASN A 77 -20.936 -5.517 -24.357 1.00 24.43 C ATOM 1135 CG ASN A 77 -19.827 -4.819 -23.593 1.00 41.25 C ATOM 1136 OD1 ASN A 77 -19.867 -3.605 -23.391 1.00 30.24 O ATOM 1137 ND2 ASN A 77 -18.829 -5.584 -23.167 1.00 34.44 N ATOM 0 H ASN A 77 -22.485 -6.203 -26.263 1.00 14.33 H new ATOM 0 HA ASN A 77 -19.677 -5.393 -26.094 1.00 74.34 H new ATOM 0 HB2 ASN A 77 -21.764 -4.824 -24.505 1.00 24.43 H new ATOM 0 HB3 ASN A 77 -21.317 -6.347 -23.762 1.00 24.43 H new ATOM 0 HD21 ASN A 77 -18.054 -5.170 -22.649 1.00 34.44 H new ATOM 0 HD22 ASN A 77 -18.837 -6.586 -23.357 1.00 34.44 H new ATOM 1144 N SER A 78 -19.814 -8.172 -26.676 1.00 12.15 N ATOM 1145 CA SER A 78 -19.296 -9.535 -26.665 1.00 2.22 C ATOM 1146 C SER A 78 -17.783 -9.542 -26.863 1.00 30.13 C ATOM 1147 O SER A 78 -17.242 -8.739 -27.623 1.00 2.31 O ATOM 1148 CB SER A 78 -19.969 -10.367 -27.758 1.00 25.52 C ATOM 1149 OG SER A 78 -19.443 -11.683 -27.793 1.00 31.12 O ATOM 0 H SER A 78 -20.093 -7.834 -27.597 1.00 12.15 H new ATOM 0 HA SER A 78 -19.520 -9.976 -25.693 1.00 2.22 H new ATOM 0 HB2 SER A 78 -21.044 -10.406 -27.580 1.00 25.52 H new ATOM 0 HB3 SER A 78 -19.823 -9.888 -28.726 1.00 25.52 H new ATOM 0 HG SER A 78 -19.890 -12.195 -28.498 1.00 31.12 H new ATOM 1155 N ILE A 79 -17.107 -10.455 -26.173 1.00 40.22 N ATOM 1156 CA ILE A 79 -15.657 -10.568 -26.273 1.00 72.14 C ATOM 1157 C ILE A 79 -14.986 -9.210 -26.095 1.00 31.52 C ATOM 1158 O ILE A 79 -13.944 -8.938 -26.691 1.00 31.51 O ATOM 1159 CB ILE A 79 -15.231 -11.164 -27.628 1.00 74.41 C ATOM 1160 CG1 ILE A 79 -16.179 -12.296 -28.032 1.00 42.23 C ATOM 1161 CG2 ILE A 79 -13.797 -11.667 -27.558 1.00 51.32 C ATOM 1162 CD1 ILE A 79 -15.814 -12.948 -29.348 1.00 35.14 C ATOM 0 H ILE A 79 -17.540 -11.127 -25.539 1.00 40.22 H new ATOM 0 HA ILE A 79 -15.337 -11.237 -25.474 1.00 72.14 H new ATOM 0 HB ILE A 79 -15.285 -10.382 -28.385 1.00 74.41 H new ATOM 0 HG12 ILE A 79 -16.182 -13.054 -27.249 1.00 42.23 H new ATOM 0 HG13 ILE A 79 -17.194 -11.903 -28.099 1.00 42.23 H new ATOM 0 HG21 ILE A 79 -13.511 -12.085 -28.523 1.00 51.32 H new ATOM 0 HG22 ILE A 79 -13.133 -10.839 -27.310 1.00 51.32 H new ATOM 0 HG23 ILE A 79 -13.719 -12.438 -26.791 1.00 51.32 H new ATOM 0 HD11 ILE A 79 -16.528 -13.741 -29.572 1.00 35.14 H new ATOM 0 HD12 ILE A 79 -15.839 -12.202 -30.143 1.00 35.14 H new ATOM 0 HD13 ILE A 79 -14.812 -13.371 -29.279 1.00 35.14 H new ATOM 1174 N SER A 80 -15.590 -8.362 -25.269 1.00 21.13 N ATOM 1175 CA SER A 80 -15.052 -7.031 -25.012 1.00 60.24 C ATOM 1176 C SER A 80 -13.941 -7.086 -23.968 1.00 60.21 C ATOM 1177 O SER A 80 -14.018 -7.847 -23.003 1.00 50.52 O ATOM 1178 CB SER A 80 -16.163 -6.091 -24.542 1.00 53.32 C ATOM 1179 OG SER A 80 -17.295 -6.175 -25.390 1.00 75.02 O ATOM 0 H SER A 80 -16.452 -8.573 -24.766 1.00 21.13 H new ATOM 0 HA SER A 80 -14.633 -6.650 -25.943 1.00 60.24 H new ATOM 0 HB2 SER A 80 -16.450 -6.344 -23.521 1.00 53.32 H new ATOM 0 HB3 SER A 80 -15.793 -5.066 -24.525 1.00 53.32 H new ATOM 0 HG SER A 80 -17.552 -5.276 -25.682 1.00 75.02 H new ATOM 1185 N SER A 81 -12.908 -6.274 -24.169 1.00 70.20 N ATOM 1186 CA SER A 81 -11.778 -6.232 -23.248 1.00 34.02 C ATOM 1187 C SER A 81 -11.157 -4.839 -23.213 1.00 53.12 C ATOM 1188 O SER A 81 -11.181 -4.111 -24.206 1.00 70.21 O ATOM 1189 CB SER A 81 -10.724 -7.263 -23.653 1.00 65.15 C ATOM 1190 OG SER A 81 -10.525 -8.220 -22.628 1.00 32.44 O ATOM 0 H SER A 81 -12.830 -5.636 -24.961 1.00 70.20 H new ATOM 0 HA SER A 81 -12.145 -6.472 -22.250 1.00 34.02 H new ATOM 0 HB2 SER A 81 -11.036 -7.766 -24.568 1.00 65.15 H new ATOM 0 HB3 SER A 81 -9.783 -6.759 -23.871 1.00 65.15 H new ATOM 0 HG SER A 81 -9.848 -8.868 -22.913 1.00 32.44 H new ATOM 1196 N PHE A 82 -10.602 -4.474 -22.063 1.00 24.25 N ATOM 1197 CA PHE A 82 -9.975 -3.168 -21.896 1.00 64.14 C ATOM 1198 C PHE A 82 -8.885 -3.220 -20.830 1.00 2.24 C ATOM 1199 O PHE A 82 -9.067 -3.819 -19.770 1.00 23.22 O ATOM 1200 CB PHE A 82 -11.023 -2.119 -21.520 1.00 32.51 C ATOM 1201 CG PHE A 82 -11.557 -2.279 -20.125 1.00 71.52 C ATOM 1202 CD1 PHE A 82 -12.440 -3.303 -19.820 1.00 52.24 C ATOM 1203 CD2 PHE A 82 -11.176 -1.407 -19.119 1.00 25.02 C ATOM 1204 CE1 PHE A 82 -12.934 -3.452 -18.538 1.00 45.40 C ATOM 1205 CE2 PHE A 82 -11.665 -1.551 -17.834 1.00 73.22 C ATOM 1206 CZ PHE A 82 -12.545 -2.576 -17.543 1.00 44.44 C ATOM 0 H PHE A 82 -10.573 -5.064 -21.232 1.00 24.25 H new ATOM 0 HA PHE A 82 -9.517 -2.889 -22.845 1.00 64.14 H new ATOM 0 HB2 PHE A 82 -10.584 -1.126 -21.621 1.00 32.51 H new ATOM 0 HB3 PHE A 82 -11.851 -2.175 -22.226 1.00 32.51 H new ATOM 0 HD1 PHE A 82 -12.745 -3.992 -20.593 1.00 52.24 H new ATOM 0 HD2 PHE A 82 -10.488 -0.604 -19.341 1.00 25.02 H new ATOM 0 HE1 PHE A 82 -13.624 -4.253 -18.314 1.00 45.40 H new ATOM 0 HE2 PHE A 82 -11.360 -0.864 -17.059 1.00 73.22 H new ATOM 0 HZ PHE A 82 -12.928 -2.692 -16.540 1.00 44.44 H new ATOM 1216 N ARG A 83 -7.752 -2.588 -21.118 1.00 40.35 N ATOM 1217 CA ARG A 83 -6.632 -2.563 -20.186 1.00 2.43 C ATOM 1218 C ARG A 83 -6.236 -1.128 -19.850 1.00 43.22 C ATOM 1219 O ARG A 83 -6.394 -0.223 -20.669 1.00 72.01 O ATOM 1220 CB ARG A 83 -5.433 -3.309 -20.774 1.00 75.44 C ATOM 1221 CG ARG A 83 -5.716 -4.772 -21.078 1.00 13.33 C ATOM 1222 CD ARG A 83 -6.158 -5.524 -19.832 1.00 11.41 C ATOM 1223 NE ARG A 83 -5.806 -6.940 -19.894 1.00 1.44 N ATOM 1224 CZ ARG A 83 -5.846 -7.753 -18.844 1.00 73.34 C ATOM 1225 NH1 ARG A 83 -6.222 -7.294 -17.659 1.00 1.42 N ATOM 1226 NH2 ARG A 83 -5.511 -9.030 -18.980 1.00 41.00 N ATOM 0 H ARG A 83 -7.586 -2.086 -21.990 1.00 40.35 H new ATOM 0 HA ARG A 83 -6.946 -3.060 -19.268 1.00 2.43 H new ATOM 0 HB2 ARG A 83 -5.119 -2.810 -21.691 1.00 75.44 H new ATOM 0 HB3 ARG A 83 -4.599 -3.246 -20.076 1.00 75.44 H new ATOM 0 HG2 ARG A 83 -6.491 -4.843 -21.841 1.00 13.33 H new ATOM 0 HG3 ARG A 83 -4.821 -5.239 -21.488 1.00 13.33 H new ATOM 0 HD2 ARG A 83 -5.696 -5.074 -18.954 1.00 11.41 H new ATOM 0 HD3 ARG A 83 -7.237 -5.423 -19.711 1.00 11.41 H new ATOM 0 HE ARG A 83 -5.514 -7.326 -20.792 1.00 1.44 H new ATOM 0 HH11 ARG A 83 -6.482 -6.314 -17.551 1.00 1.42 H new ATOM 0 HH12 ARG A 83 -6.252 -7.921 -16.855 1.00 1.42 H new ATOM 0 HH21 ARG A 83 -5.223 -9.387 -19.891 1.00 41.00 H new ATOM 0 HH22 ARG A 83 -5.542 -9.654 -18.174 1.00 41.00 H new ATOM 1240 N GLN A 84 -5.721 -0.929 -18.641 1.00 43.21 N ATOM 1241 CA GLN A 84 -5.303 0.396 -18.198 1.00 15.14 C ATOM 1242 C GLN A 84 -3.787 0.539 -18.263 1.00 45.42 C ATOM 1243 O GLN A 84 -3.054 -0.438 -18.110 1.00 20.43 O ATOM 1244 CB GLN A 84 -5.791 0.657 -16.771 1.00 71.44 C ATOM 1245 CG GLN A 84 -7.303 0.765 -16.656 1.00 1.34 C ATOM 1246 CD GLN A 84 -7.892 -0.266 -15.714 1.00 22.51 C ATOM 1247 OE1 GLN A 84 -7.368 -0.500 -14.624 1.00 62.14 O ATOM 1248 NE2 GLN A 84 -8.988 -0.891 -16.130 1.00 4.33 N ATOM 0 H GLN A 84 -5.583 -1.668 -17.951 1.00 43.21 H new ATOM 0 HA GLN A 84 -5.748 1.132 -18.868 1.00 15.14 H new ATOM 0 HB2 GLN A 84 -5.442 -0.148 -16.124 1.00 71.44 H new ATOM 0 HB3 GLN A 84 -5.340 1.579 -16.405 1.00 71.44 H new ATOM 0 HG2 GLN A 84 -7.567 1.763 -16.307 1.00 1.34 H new ATOM 0 HG3 GLN A 84 -7.748 0.645 -17.644 1.00 1.34 H new ATOM 0 HE21 GLN A 84 -9.389 -0.666 -17.041 1.00 4.33 H new ATOM 0 HE22 GLN A 84 -9.429 -1.596 -15.539 1.00 4.33 H new ATOM 1257 N ILE A 85 -3.322 1.763 -18.492 1.00 52.13 N ATOM 1258 CA ILE A 85 -1.892 2.034 -18.577 1.00 74.43 C ATOM 1259 C ILE A 85 -1.465 3.065 -17.538 1.00 73.42 C ATOM 1260 O ILE A 85 -1.662 4.259 -17.758 1.00 70.31 O ATOM 1261 CB ILE A 85 -1.497 2.538 -19.978 1.00 13.54 C ATOM 1262 CG1 ILE A 85 -2.136 1.663 -21.058 1.00 44.21 C ATOM 1263 CG2 ILE A 85 0.017 2.554 -20.127 1.00 54.52 C ATOM 1264 CD1 ILE A 85 -1.768 0.200 -20.946 1.00 2.21 C ATOM 0 H ILE A 85 -3.915 2.583 -18.622 1.00 52.13 H new ATOM 0 HA ILE A 85 -1.380 1.092 -18.381 1.00 74.43 H new ATOM 0 HB ILE A 85 -1.865 3.557 -20.099 1.00 13.54 H new ATOM 0 HG12 ILE A 85 -3.220 1.762 -21.000 1.00 44.21 H new ATOM 0 HG13 ILE A 85 -1.834 2.031 -22.038 1.00 44.21 H new ATOM 0 HG21 ILE A 85 0.281 2.912 -21.122 1.00 54.52 H new ATOM 0 HG22 ILE A 85 0.449 3.216 -19.376 1.00 54.52 H new ATOM 0 HG23 ILE A 85 0.407 1.545 -19.989 1.00 54.52 H new ATOM 0 HD11 ILE A 85 -2.256 -0.360 -21.743 1.00 2.21 H new ATOM 0 HD12 ILE A 85 -0.687 0.089 -21.034 1.00 2.21 H new ATOM 0 HD13 ILE A 85 -2.095 -0.184 -19.980 1.00 2.21 H new