USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 751 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 111 LYS NZ :NH3+ -129:sc= 1.27 (180deg=0.147) USER MOD Set 1.2: A 118 TYR OH : rot 180:sc= -1.41 USER MOD Set 2.1: A 87 ASN : amide:sc= 0.577 K(o=-0.81,f=-7.9) USER MOD Set 2.2: A 89 ASN : amide:sc= -1.39! C(o=-0.81!,f=-7.9!) USER MOD Set 3.1: A 76 TYR OH : rot 171:sc= 1.01 USER MOD Set 3.2: A 80 LYS NZ :NH3+ -134:sc= 1.36 (180deg=-0.197) USER MOD Set 4.1: A 69 CYS SG : rot 170:sc= 0 USER MOD Set 4.2: A 70 THR OG1 : rot 98:sc= 1.14 USER MOD Set 5.1: A 32 GLN : amide:sc= -0.501 X(o=-0.02,f=0.012) USER MOD Set 5.2: A 117 SER OG : rot -130:sc= 0.481 USER MOD Single : A 38 ASN : amide:sc= 0.0181 K(o=0.018,f=-0.54) USER MOD Single : A 41 GLN : amide:sc= 0.272 K(o=0.27,f=-4.1!) USER MOD Single : A 42 TYR OH : rot 90:sc= -0.324 USER MOD Single : A 43 ASN : amide:sc= -0.773 K(o=-0.77,f=-4.3!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.04 X(o=-1,f=-1.5) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0219 (180deg=-0.237) USER MOD Single : A 72 SER OG : rot -8:sc= 0.944 USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= 0.955 (180deg=-0.0988) USER MOD Single : A 85 SER OG : rot 71:sc= 1.25 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 28:sc= 0.951 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.887 K(o=0.89,f=-6!) USER MOD Single : A 100 MET CE :methyl 161:sc= -0.605 (180deg=-1.11) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 103 THR OG1 : rot 48:sc= 0.266 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS :FLIP no HE2:sc= 0.46 F(o=-2!,f=0.46) USER MOD Single : A 109 MET CE :methyl 178:sc= -2.57 (180deg=-2.66) USER MOD Single : A 110 LYS NZ :NH3+ -149:sc= 0.0284 (180deg=-0.309) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 165:sc= 0.561 (180deg=0.242) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -7.285 -2.277 10.727 1.00 1.27 N ATOM 31 CA PHE A 28 -6.297 -1.641 9.868 1.00 1.21 C ATOM 32 C PHE A 28 -5.593 -2.688 9.017 1.00 0.94 C ATOM 33 O PHE A 28 -5.472 -3.847 9.419 1.00 0.94 O ATOM 34 CB PHE A 28 -5.286 -0.818 10.685 1.00 1.52 C ATOM 35 CG PHE A 28 -4.505 -1.597 11.711 1.00 1.96 C ATOM 36 CD1 PHE A 28 -3.255 -2.110 11.404 1.00 2.75 C ATOM 37 CD2 PHE A 28 -5.013 -1.796 12.987 1.00 2.12 C ATOM 38 CE1 PHE A 28 -2.527 -2.811 12.347 1.00 3.75 C ATOM 39 CE2 PHE A 28 -4.290 -2.497 13.933 1.00 2.99 C ATOM 40 CZ PHE A 28 -3.045 -3.004 13.612 1.00 3.85 C ATOM 0 HA PHE A 28 -6.816 -0.947 9.207 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -4.583 -0.348 9.997 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -5.821 -0.015 11.192 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -2.845 -1.960 10.416 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -5.984 -1.399 13.243 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -1.554 -3.207 12.095 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -4.697 -2.649 14.922 1.00 2.99 H new ATOM 0 HZ PHE A 28 -2.478 -3.551 14.350 1.00 3.85 H new ATOM 50 N GLY A 29 -5.123 -2.278 7.851 1.00 0.85 N ATOM 51 CA GLY A 29 -4.597 -3.229 6.898 1.00 0.73 C ATOM 52 C GLY A 29 -3.089 -3.242 6.840 1.00 0.63 C ATOM 53 O GLY A 29 -2.445 -2.190 6.832 1.00 0.69 O ATOM 0 H GLY A 29 -5.096 -1.305 7.548 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.953 -4.226 7.156 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.990 -2.997 5.908 1.00 0.73 H new ATOM 57 N ALA A 30 -2.534 -4.442 6.812 1.00 0.66 N ATOM 58 CA ALA A 30 -1.105 -4.638 6.675 1.00 0.59 C ATOM 59 C ALA A 30 -0.810 -5.311 5.344 1.00 0.56 C ATOM 60 O ALA A 30 -1.060 -6.502 5.170 1.00 0.65 O ATOM 61 CB ALA A 30 -0.573 -5.474 7.829 1.00 0.71 C ATOM 0 H ALA A 30 -3.066 -5.309 6.884 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.605 -3.670 6.700 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.502 -5.613 7.712 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.773 -4.963 8.771 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -1.066 -6.446 7.832 1.00 0.71 H new ATOM 67 N ILE A 31 -0.312 -4.536 4.400 1.00 0.49 N ATOM 68 CA ILE A 31 -0.022 -5.039 3.072 1.00 0.53 C ATOM 69 C ILE A 31 1.484 -5.028 2.840 1.00 0.43 C ATOM 70 O ILE A 31 2.186 -4.154 3.343 1.00 0.49 O ATOM 71 CB ILE A 31 -0.634 -4.310 2.138 1.00 0.62 C ATOM 72 CG1 ILE A 31 -2.140 -4.236 2.412 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.378 -4.869 0.738 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.893 -3.337 1.453 1.00 0.96 C ATOM 0 H ILE A 31 -0.098 -3.547 4.531 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.395 -6.061 3.000 1.00 0.53 H new ATOM 0 HB ILE A 31 -0.219 -3.303 2.180 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.559 -5.241 2.358 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -2.297 -3.879 3.430 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.891 -4.252 0.000 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.693 -4.864 0.534 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.753 -5.891 0.680 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.952 -3.336 1.711 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -2.502 -2.322 1.523 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.768 -3.705 0.435 1.00 0.96 H new ATOM 86 N GLN A 32 1.997 -6.030 2.152 1.00 0.39 N ATOM 87 CA GLN A 32 3.409 -6.056 1.831 1.00 0.34 C ATOM 88 C GLN A 32 3.604 -5.818 0.342 1.00 0.33 C ATOM 89 O GLN A 32 3.139 -6.603 -0.486 1.00 0.36 O ATOM 90 CB GLN A 32 4.044 -7.389 2.242 1.00 0.37 C ATOM 91 CG GLN A 32 5.568 -7.348 2.281 1.00 0.53 C ATOM 92 CD GLN A 32 6.189 -8.694 2.617 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.587 -9.520 3.300 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.412 -8.912 2.157 1.00 0.86 N ATOM 0 H GLN A 32 1.463 -6.828 1.808 1.00 0.39 H new ATOM 0 HA GLN A 32 3.903 -5.262 2.390 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.670 -7.673 3.226 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.727 -8.164 1.545 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.942 -7.013 1.314 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.888 -6.612 3.019 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.879 -8.202 1.593 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.887 -9.790 2.367 1.00 0.86 H new ATOM 103 N LEU A 33 4.257 -4.717 0.008 1.00 0.38 N ATOM 104 CA LEU A 33 4.629 -4.439 -1.363 1.00 0.41 C ATOM 105 C LEU A 33 6.109 -4.716 -1.506 1.00 0.33 C ATOM 106 O LEU A 33 6.789 -4.848 -0.504 1.00 0.36 O ATOM 107 CB LEU A 33 4.360 -2.976 -1.743 1.00 0.56 C ATOM 108 CG LEU A 33 2.903 -2.510 -1.699 1.00 0.91 C ATOM 109 CD1 LEU A 33 1.998 -3.506 -2.398 1.00 1.24 C ATOM 110 CD2 LEU A 33 2.444 -2.266 -0.273 1.00 1.62 C ATOM 0 H LEU A 33 4.540 -3.999 0.675 1.00 0.38 H new ATOM 0 HA LEU A 33 4.033 -5.069 -2.023 1.00 0.41 H new ATOM 0 HB2 LEU A 33 4.941 -2.339 -1.076 1.00 0.56 H new ATOM 0 HB3 LEU A 33 4.739 -2.811 -2.752 1.00 0.56 H new ATOM 0 HG LEU A 33 2.840 -1.561 -2.232 1.00 0.91 H new ATOM 0 HD11 LEU A 33 0.967 -3.154 -2.354 1.00 1.24 H new ATOM 0 HD12 LEU A 33 2.303 -3.606 -3.440 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.072 -4.474 -1.903 1.00 1.24 H new ATOM 0 HD21 LEU A 33 1.405 -1.936 -0.277 1.00 1.62 H new ATOM 0 HD22 LEU A 33 2.530 -3.189 0.300 1.00 1.62 H new ATOM 0 HD23 LEU A 33 3.067 -1.497 0.183 1.00 1.62 H new ATOM 122 N ASP A 34 6.620 -4.816 -2.719 1.00 0.33 N ATOM 123 CA ASP A 34 8.063 -4.948 -2.890 1.00 0.34 C ATOM 124 C ASP A 34 8.647 -3.665 -3.455 1.00 0.40 C ATOM 125 O ASP A 34 7.907 -2.797 -3.902 1.00 0.43 O ATOM 126 CB ASP A 34 8.452 -6.168 -3.738 1.00 0.38 C ATOM 127 CG ASP A 34 8.067 -6.088 -5.210 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.689 -5.004 -5.699 1.00 0.89 O ATOM 129 OD2 ASP A 34 8.170 -7.124 -5.896 1.00 1.22 O ATOM 0 H ASP A 34 6.078 -4.809 -3.583 1.00 0.33 H new ATOM 0 HA ASP A 34 8.492 -5.120 -1.903 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.531 -6.309 -3.669 1.00 0.38 H new ATOM 0 HB3 ASP A 34 7.987 -7.054 -3.305 1.00 0.38 H new ATOM 134 N GLY A 35 9.972 -3.544 -3.417 1.00 0.47 N ATOM 135 CA GLY A 35 10.640 -2.315 -3.822 1.00 0.57 C ATOM 136 C GLY A 35 10.394 -1.913 -5.270 1.00 0.64 C ATOM 137 O GLY A 35 10.886 -0.877 -5.718 1.00 0.79 O ATOM 0 H GLY A 35 10.603 -4.284 -3.109 1.00 0.47 H new ATOM 0 HA2 GLY A 35 10.310 -1.505 -3.172 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.713 -2.431 -3.667 1.00 0.57 H new ATOM 141 N ASP A 36 9.653 -2.721 -6.012 1.00 0.58 N ATOM 142 CA ASP A 36 9.308 -2.382 -7.382 1.00 0.66 C ATOM 143 C ASP A 36 7.892 -1.832 -7.432 1.00 0.61 C ATOM 144 O ASP A 36 7.638 -0.787 -8.031 1.00 0.78 O ATOM 145 CB ASP A 36 9.420 -3.606 -8.290 1.00 0.69 C ATOM 146 CG ASP A 36 9.330 -3.238 -9.758 1.00 1.21 C ATOM 147 OD1 ASP A 36 8.199 -3.166 -10.281 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.382 -3.029 -10.396 1.00 1.56 O ATOM 0 H ASP A 36 9.280 -3.614 -5.689 1.00 0.58 H new ATOM 0 HA ASP A 36 10.007 -1.625 -7.738 1.00 0.66 H new ATOM 0 HB2 ASP A 36 10.367 -4.111 -8.101 1.00 0.69 H new ATOM 0 HB3 ASP A 36 8.627 -4.312 -8.045 1.00 0.69 H new ATOM 153 N GLY A 37 6.983 -2.535 -6.771 1.00 0.51 N ATOM 154 CA GLY A 37 5.596 -2.125 -6.751 1.00 0.53 C ATOM 155 C GLY A 37 4.641 -3.303 -6.757 1.00 0.47 C ATOM 156 O GLY A 37 3.425 -3.122 -6.853 1.00 0.53 O ATOM 0 H GLY A 37 7.184 -3.386 -6.246 1.00 0.51 H new ATOM 0 HA2 GLY A 37 5.413 -1.518 -5.864 1.00 0.53 H new ATOM 0 HA3 GLY A 37 5.395 -1.494 -7.617 1.00 0.53 H new ATOM 160 N ASN A 38 5.187 -4.511 -6.642 1.00 0.40 N ATOM 161 CA ASN A 38 4.367 -5.718 -6.653 1.00 0.39 C ATOM 162 C ASN A 38 3.682 -5.902 -5.320 1.00 0.34 C ATOM 163 O ASN A 38 4.204 -5.501 -4.278 1.00 0.40 O ATOM 164 CB ASN A 38 5.197 -6.970 -6.945 1.00 0.44 C ATOM 165 CG ASN A 38 5.766 -6.987 -8.343 1.00 0.70 C ATOM 166 OD1 ASN A 38 5.132 -7.462 -9.288 1.00 1.30 O ATOM 167 ND2 ASN A 38 6.980 -6.498 -8.480 1.00 1.24 N ATOM 0 H ASN A 38 6.188 -4.679 -6.541 1.00 0.40 H new ATOM 0 HA ASN A 38 3.630 -5.590 -7.446 1.00 0.39 H new ATOM 0 HB2 ASN A 38 6.013 -7.034 -6.226 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.575 -7.853 -6.801 1.00 0.44 H new ATOM 0 HD21 ASN A 38 7.431 -6.503 -9.395 1.00 1.24 H new ATOM 0 HD22 ASN A 38 7.469 -6.114 -7.672 1.00 1.24 H new ATOM 174 N ILE A 39 2.515 -6.508 -5.358 1.00 0.32 N ATOM 175 CA ILE A 39 1.790 -6.826 -4.153 1.00 0.32 C ATOM 176 C ILE A 39 2.080 -8.267 -3.747 1.00 0.36 C ATOM 177 O ILE A 39 2.388 -9.110 -4.593 1.00 0.41 O ATOM 178 CB ILE A 39 0.485 -6.668 -4.308 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.163 -5.382 -5.064 1.00 0.41 C ATOM 180 CG2 ILE A 39 -0.204 -6.653 -2.951 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.309 -5.211 -5.376 1.00 0.89 C ATOM 0 H ILE A 39 2.047 -6.791 -6.219 1.00 0.32 H new ATOM 0 HA ILE A 39 2.122 -6.140 -3.374 1.00 0.32 H new ATOM 0 HB ILE A 39 0.116 -7.508 -4.896 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.502 -4.530 -4.474 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.727 -5.369 -5.997 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.277 -6.523 -3.089 1.00 0.43 H new ATOM 0 HG22 ILE A 39 -0.016 -7.596 -2.437 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.187 -5.830 -2.353 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.461 -4.275 -5.914 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.649 -6.043 -5.992 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.878 -5.192 -4.447 1.00 0.89 H new ATOM 193 N LEU A 40 2.072 -8.525 -2.450 1.00 0.40 N ATOM 194 CA LEU A 40 2.312 -9.847 -1.931 1.00 0.49 C ATOM 195 C LEU A 40 1.100 -10.403 -1.219 1.00 0.56 C ATOM 196 O LEU A 40 0.519 -11.403 -1.633 1.00 0.73 O ATOM 197 CB LEU A 40 3.470 -9.804 -0.955 1.00 0.55 C ATOM 198 CG LEU A 40 4.845 -9.941 -1.602 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.221 -8.665 -2.345 1.00 1.39 C ATOM 200 CD2 LEU A 40 5.901 -10.299 -0.568 1.00 1.45 C ATOM 0 H LEU A 40 1.898 -7.820 -1.734 1.00 0.40 H new ATOM 0 HA LEU A 40 2.541 -10.495 -2.777 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.432 -8.863 -0.406 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.344 -10.604 -0.225 1.00 0.55 H new ATOM 0 HG LEU A 40 4.798 -10.754 -2.326 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.205 -8.785 -2.799 1.00 1.39 H new ATOM 0 HD12 LEU A 40 4.484 -8.467 -3.123 1.00 1.39 H new ATOM 0 HD13 LEU A 40 5.243 -7.830 -1.645 1.00 1.39 H new ATOM 0 HD21 LEU A 40 6.871 -10.391 -1.056 1.00 1.45 H new ATOM 0 HD22 LEU A 40 5.948 -9.517 0.190 1.00 1.45 H new ATOM 0 HD23 LEU A 40 5.641 -11.247 -0.096 1.00 1.45 H new ATOM 212 N GLN A 41 0.744 -9.756 -0.128 1.00 0.59 N ATOM 213 CA GLN A 41 -0.305 -10.247 0.733 1.00 0.73 C ATOM 214 C GLN A 41 -1.003 -9.097 1.435 1.00 0.61 C ATOM 215 O GLN A 41 -0.460 -7.996 1.543 1.00 0.60 O ATOM 216 CB GLN A 41 0.271 -11.254 1.742 1.00 0.99 C ATOM 217 CG GLN A 41 1.587 -10.818 2.375 1.00 0.88 C ATOM 218 CD GLN A 41 1.418 -10.152 3.727 1.00 1.20 C ATOM 219 OE1 GLN A 41 0.390 -9.554 4.023 1.00 1.99 O ATOM 220 NE2 GLN A 41 2.446 -10.240 4.552 1.00 1.30 N ATOM 0 H GLN A 41 1.171 -8.883 0.182 1.00 0.59 H new ATOM 0 HA GLN A 41 -1.050 -10.762 0.126 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -0.462 -11.420 2.532 1.00 0.99 H new ATOM 0 HB3 GLN A 41 0.421 -12.210 1.240 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.233 -11.689 2.486 1.00 0.88 H new ATOM 0 HG3 GLN A 41 2.094 -10.128 1.700 1.00 0.88 H new ATOM 0 HE21 GLN A 41 3.285 -10.747 4.269 1.00 1.30 H new ATOM 0 HE22 GLN A 41 2.401 -9.801 5.472 1.00 1.30 H new ATOM 229 N TYR A 42 -2.214 -9.368 1.883 1.00 0.68 N ATOM 230 CA TYR A 42 -3.053 -8.377 2.544 1.00 0.69 C ATOM 231 C TYR A 42 -3.416 -8.847 3.941 1.00 0.78 C ATOM 232 O TYR A 42 -2.943 -9.890 4.402 1.00 1.25 O ATOM 233 CB TYR A 42 -4.355 -8.155 1.766 1.00 0.78 C ATOM 234 CG TYR A 42 -4.240 -7.337 0.502 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.337 -6.724 -0.094 1.00 0.83 C ATOM 236 CD2 TYR A 42 -3.002 -7.190 -0.101 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.188 -5.992 -1.256 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.848 -6.462 -1.256 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.112 -5.807 -1.810 1.00 0.63 C ATOM 240 OH TYR A 42 -3.792 -5.138 -2.990 1.00 0.71 O ATOM 0 H TYR A 42 -2.649 -10.287 1.800 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.488 -7.446 2.589 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.771 -9.129 1.508 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -5.071 -7.667 2.427 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.314 -6.821 0.356 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -2.138 -7.658 0.347 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.071 -5.558 -1.701 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -1.890 -6.359 -1.743 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.608 -4.196 -2.792 1.00 0.71 H new ATOM 250 N ASN A 43 -4.274 -8.088 4.600 1.00 0.89 N ATOM 251 CA ASN A 43 -4.840 -8.499 5.869 1.00 0.95 C ATOM 252 C ASN A 43 -6.348 -8.700 5.696 1.00 1.08 C ATOM 253 O ASN A 43 -6.877 -8.494 4.601 1.00 1.63 O ATOM 254 CB ASN A 43 -4.546 -7.437 6.932 1.00 0.96 C ATOM 255 CG ASN A 43 -4.779 -7.937 8.343 1.00 1.38 C ATOM 256 OD1 ASN A 43 -5.884 -7.841 8.872 1.00 2.13 O ATOM 257 ND2 ASN A 43 -3.738 -8.469 8.961 1.00 1.66 N ATOM 0 H ASN A 43 -4.595 -7.177 4.272 1.00 0.89 H new ATOM 0 HA ASN A 43 -4.393 -9.438 6.196 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -3.511 -7.109 6.834 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -5.175 -6.565 6.752 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -3.835 -8.819 9.914 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -2.838 -8.529 8.485 1.00 1.66 H new ATOM 264 N ALA A 44 -7.040 -9.102 6.759 1.00 1.12 N ATOM 265 CA ALA A 44 -8.486 -9.283 6.703 1.00 1.23 C ATOM 266 C ALA A 44 -9.179 -7.954 6.432 1.00 1.22 C ATOM 267 O ALA A 44 -10.306 -7.921 5.940 1.00 1.39 O ATOM 268 CB ALA A 44 -8.995 -9.891 8.000 1.00 1.48 C ATOM 0 H ALA A 44 -6.623 -9.308 7.667 1.00 1.12 H new ATOM 0 HA ALA A 44 -8.717 -9.966 5.886 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -10.076 -10.020 7.942 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -8.522 -10.860 8.158 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -8.752 -9.230 8.832 1.00 1.48 H new ATOM 274 N ALA A 45 -8.484 -6.869 6.771 1.00 1.21 N ATOM 275 CA ALA A 45 -8.944 -5.508 6.517 1.00 1.34 C ATOM 276 C ALA A 45 -9.538 -5.335 5.119 1.00 1.26 C ATOM 277 O ALA A 45 -10.722 -5.046 4.978 1.00 1.38 O ATOM 278 CB ALA A 45 -7.786 -4.546 6.696 1.00 1.52 C ATOM 0 H ALA A 45 -7.576 -6.913 7.234 1.00 1.21 H new ATOM 0 HA ALA A 45 -9.738 -5.295 7.233 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -8.126 -3.528 6.507 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -7.407 -4.619 7.715 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -6.991 -4.799 5.995 1.00 1.52 H new ATOM 284 N GLU A 46 -8.711 -5.518 4.093 1.00 1.18 N ATOM 285 CA GLU A 46 -9.120 -5.274 2.711 1.00 1.23 C ATOM 286 C GLU A 46 -10.268 -6.190 2.289 1.00 1.20 C ATOM 287 O GLU A 46 -11.168 -5.777 1.548 1.00 1.42 O ATOM 288 CB GLU A 46 -7.931 -5.449 1.767 1.00 1.27 C ATOM 289 CG GLU A 46 -6.904 -4.324 1.837 1.00 1.10 C ATOM 290 CD GLU A 46 -6.272 -4.171 3.207 1.00 1.31 C ATOM 291 OE1 GLU A 46 -5.761 -5.175 3.755 1.00 2.12 O ATOM 292 OE2 GLU A 46 -6.260 -2.878 3.875 1.00 1.31 O ATOM 0 H GLU A 46 -7.747 -5.837 4.193 1.00 1.18 H new ATOM 0 HA GLU A 46 -9.478 -4.246 2.651 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -7.436 -6.392 1.996 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -8.302 -5.524 0.745 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -6.121 -4.511 1.102 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -7.384 -3.386 1.560 1.00 1.10 H new ATOM 300 N GLY A 47 -10.227 -7.432 2.747 1.00 1.08 N ATOM 301 CA GLY A 47 -11.325 -8.351 2.504 1.00 1.18 C ATOM 302 C GLY A 47 -12.609 -7.877 3.161 1.00 1.25 C ATOM 303 O GLY A 47 -13.699 -8.020 2.605 1.00 1.42 O ATOM 0 H GLY A 47 -9.453 -7.823 3.284 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -11.482 -8.455 1.430 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -11.064 -9.338 2.885 1.00 1.18 H new ATOM 307 N ASP A 48 -12.468 -7.297 4.345 1.00 1.26 N ATOM 308 CA ASP A 48 -13.597 -6.746 5.089 1.00 1.49 C ATOM 309 C ASP A 48 -14.176 -5.520 4.387 1.00 1.53 C ATOM 310 O ASP A 48 -15.391 -5.328 4.368 1.00 1.74 O ATOM 311 CB ASP A 48 -13.158 -6.389 6.511 1.00 1.72 C ATOM 312 CG ASP A 48 -14.169 -5.536 7.251 1.00 2.01 C ATOM 313 OD1 ASP A 48 -13.895 -4.335 7.450 1.00 2.28 O ATOM 314 OD2 ASP A 48 -15.230 -6.059 7.645 1.00 2.35 O ATOM 0 H ASP A 48 -11.570 -7.194 4.818 1.00 1.26 H new ATOM 0 HA ASP A 48 -14.380 -7.503 5.135 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -12.986 -7.307 7.073 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -12.207 -5.859 6.468 1.00 1.72 H new ATOM 319 N ILE A 49 -13.303 -4.695 3.811 1.00 1.50 N ATOM 320 CA ILE A 49 -13.734 -3.512 3.070 1.00 1.74 C ATOM 321 C ILE A 49 -14.697 -3.899 1.947 1.00 1.73 C ATOM 322 O ILE A 49 -15.857 -3.481 1.931 1.00 2.08 O ATOM 323 CB ILE A 49 -12.700 -2.860 2.549 1.00 1.98 C ATOM 324 CG1 ILE A 49 -11.694 -2.485 3.627 1.00 2.10 C ATOM 325 CG2 ILE A 49 -13.166 -1.616 1.792 1.00 2.43 C ATOM 326 CD1 ILE A 49 -10.501 -1.707 3.110 1.00 2.59 C ATOM 0 H ILE A 49 -12.292 -4.825 3.844 1.00 1.50 H new ATOM 0 HA ILE A 49 -14.241 -2.857 3.779 1.00 1.74 H new ATOM 0 HB ILE A 49 -12.207 -3.526 1.841 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -12.198 -1.893 4.391 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -11.340 -3.395 4.112 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -12.302 -1.099 1.375 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -13.837 -1.911 0.985 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -13.692 -0.950 2.476 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -9.830 -1.477 3.938 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -9.971 -2.304 2.368 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -10.843 -0.779 2.651 1.00 2.59 H new ATOM 338 N THR A 50 -14.220 -4.727 1.028 1.00 1.71 N ATOM 339 CA THR A 50 -15.035 -5.157 -0.097 1.00 1.95 C ATOM 340 C THR A 50 -14.724 -6.609 -0.480 1.00 1.90 C ATOM 341 O THR A 50 -15.640 -7.410 -0.673 1.00 2.37 O ATOM 342 CB THR A 50 -14.891 -4.333 -1.137 1.00 2.44 C ATOM 343 OG1 THR A 50 -15.750 -4.741 -2.215 1.00 3.41 O ATOM 344 CG2 THR A 50 -13.452 -4.241 -1.629 1.00 2.45 C ATOM 0 H THR A 50 -13.276 -5.113 1.040 1.00 1.71 H new ATOM 0 HA THR A 50 -16.080 -5.116 0.209 1.00 1.95 H new ATOM 0 HB THR A 50 -15.174 -3.339 -0.790 1.00 2.44 H new ATOM 0 HG1 THR A 50 -15.638 -4.129 -2.972 1.00 3.41 H new ATOM 0 HG21 THR A 50 -13.400 -3.556 -2.475 1.00 2.45 H new ATOM 0 HG22 THR A 50 -12.815 -3.873 -0.825 1.00 2.45 H new ATOM 0 HG23 THR A 50 -13.110 -5.228 -1.939 1.00 2.45 H new ATOM 352 N GLY A 51 -13.444 -6.975 -0.509 1.00 1.87 N ATOM 353 CA GLY A 51 -13.077 -8.330 -0.867 1.00 2.32 C ATOM 354 C GLY A 51 -11.851 -8.375 -1.753 1.00 1.77 C ATOM 355 O GLY A 51 -11.954 -8.536 -2.970 1.00 2.08 O ATOM 0 H GLY A 51 -12.660 -6.359 -0.292 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -12.889 -8.905 0.040 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -13.912 -8.807 -1.380 1.00 2.32 H new ATOM 359 N ARG A 52 -10.685 -8.200 -1.148 1.00 1.46 N ATOM 360 CA ARG A 52 -9.427 -8.260 -1.876 1.00 1.09 C ATOM 361 C ARG A 52 -8.564 -9.398 -1.346 1.00 1.03 C ATOM 362 O ARG A 52 -8.204 -9.421 -0.170 1.00 1.29 O ATOM 363 CB ARG A 52 -8.675 -6.926 -1.786 1.00 1.22 C ATOM 364 CG ARG A 52 -8.959 -5.981 -2.946 1.00 1.55 C ATOM 365 CD ARG A 52 -10.438 -5.645 -3.064 1.00 1.67 C ATOM 366 NE ARG A 52 -10.756 -4.990 -4.331 1.00 1.96 N ATOM 367 CZ ARG A 52 -11.012 -5.652 -5.461 1.00 2.47 C ATOM 368 NH1 ARG A 52 -11.026 -6.983 -5.465 1.00 2.72 N ATOM 369 NH2 ARG A 52 -11.278 -4.988 -6.577 1.00 3.14 N ATOM 0 H ARG A 52 -10.585 -8.014 -0.150 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.649 -8.450 -2.926 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -8.943 -6.431 -0.852 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.604 -7.125 -1.746 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -8.389 -5.062 -2.812 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -8.616 -6.436 -3.875 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -11.025 -6.559 -2.972 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -10.728 -4.995 -2.238 1.00 1.67 H new ATOM 0 HE ARG A 52 -10.784 -3.971 -4.353 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -10.841 -7.498 -4.604 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -11.222 -7.488 -6.329 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -11.287 -3.968 -6.574 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -11.473 -5.497 -7.439 1.00 3.14 H new ATOM 383 N ASP A 53 -8.243 -10.337 -2.224 1.00 0.94 N ATOM 384 CA ASP A 53 -7.486 -11.524 -1.845 1.00 1.00 C ATOM 385 C ASP A 53 -5.995 -11.307 -2.027 1.00 0.89 C ATOM 386 O ASP A 53 -5.553 -10.820 -3.070 1.00 0.82 O ATOM 387 CB ASP A 53 -7.909 -12.737 -2.674 1.00 1.18 C ATOM 388 CG ASP A 53 -9.158 -13.408 -2.153 1.00 1.55 C ATOM 389 OD1 ASP A 53 -9.033 -14.449 -1.475 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.264 -12.916 -2.431 1.00 2.10 O ATOM 0 H ASP A 53 -8.497 -10.300 -3.211 1.00 0.94 H new ATOM 0 HA ASP A 53 -7.699 -11.711 -0.792 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.076 -12.424 -3.705 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.094 -13.461 -2.688 1.00 1.18 H new ATOM 395 N PRO A 54 -5.199 -11.685 -1.019 1.00 1.02 N ATOM 396 CA PRO A 54 -3.737 -11.622 -1.089 1.00 1.10 C ATOM 397 C PRO A 54 -3.177 -12.485 -2.216 1.00 1.03 C ATOM 398 O PRO A 54 -2.127 -12.186 -2.774 1.00 1.68 O ATOM 399 CB PRO A 54 -3.280 -12.172 0.269 1.00 1.35 C ATOM 400 CG PRO A 54 -4.460 -12.027 1.165 1.00 1.43 C ATOM 401 CD PRO A 54 -5.667 -12.180 0.286 1.00 1.25 C ATOM 0 HA PRO A 54 -3.388 -10.610 -1.292 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -2.972 -13.215 0.188 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -2.424 -11.616 0.652 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -4.450 -12.784 1.949 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -4.458 -11.056 1.659 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -5.994 -13.218 0.229 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -6.512 -11.600 0.657 1.00 1.25 H new ATOM 409 N LYS A 55 -3.889 -13.552 -2.552 1.00 0.89 N ATOM 410 CA LYS A 55 -3.427 -14.479 -3.577 1.00 0.96 C ATOM 411 C LYS A 55 -3.705 -13.948 -4.983 1.00 0.82 C ATOM 412 O LYS A 55 -3.186 -14.475 -5.965 1.00 0.92 O ATOM 413 CB LYS A 55 -4.086 -15.849 -3.394 1.00 1.26 C ATOM 414 CG LYS A 55 -3.815 -16.510 -2.043 1.00 1.53 C ATOM 415 CD LYS A 55 -2.373 -16.998 -1.902 1.00 2.06 C ATOM 416 CE LYS A 55 -1.405 -15.869 -1.573 1.00 2.89 C ATOM 417 NZ LYS A 55 -0.006 -16.355 -1.436 1.00 3.61 N ATOM 0 H LYS A 55 -4.786 -13.797 -2.132 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.348 -14.582 -3.464 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -5.163 -15.739 -3.520 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -3.738 -16.513 -4.185 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -4.033 -15.800 -1.246 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -4.494 -17.353 -1.913 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -2.324 -17.754 -1.119 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -2.063 -17.479 -2.830 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -1.451 -15.113 -2.357 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -1.713 -15.386 -0.646 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 0.619 -15.555 -1.212 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 0.044 -17.058 -0.671 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 0.298 -16.793 -2.329 1.00 3.61 H new ATOM 431 N GLN A 56 -4.516 -12.901 -5.077 1.00 0.72 N ATOM 432 CA GLN A 56 -4.866 -12.326 -6.374 1.00 0.73 C ATOM 433 C GLN A 56 -3.875 -11.243 -6.786 1.00 0.63 C ATOM 434 O GLN A 56 -3.704 -10.962 -7.971 1.00 0.79 O ATOM 435 CB GLN A 56 -6.269 -11.714 -6.335 1.00 0.87 C ATOM 436 CG GLN A 56 -7.402 -12.723 -6.220 1.00 1.32 C ATOM 437 CD GLN A 56 -8.764 -12.051 -6.180 1.00 1.92 C ATOM 438 OE1 GLN A 56 -8.958 -10.971 -6.740 1.00 2.50 O ATOM 439 NE2 GLN A 56 -9.718 -12.681 -5.516 1.00 2.41 N ATOM 0 H GLN A 56 -4.942 -12.434 -4.277 1.00 0.72 H new ATOM 0 HA GLN A 56 -4.836 -13.137 -7.102 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.327 -11.026 -5.491 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.418 -11.123 -7.239 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.362 -13.410 -7.065 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -7.266 -13.319 -5.318 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -9.521 -13.574 -5.065 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -10.651 -12.274 -5.455 1.00 2.41 H new ATOM 448 N VAL A 57 -3.218 -10.640 -5.806 1.00 0.52 N ATOM 449 CA VAL A 57 -2.411 -9.451 -6.057 1.00 0.48 C ATOM 450 C VAL A 57 -0.925 -9.747 -6.204 1.00 0.55 C ATOM 451 O VAL A 57 -0.100 -8.843 -6.135 1.00 0.97 O ATOM 452 CB VAL A 57 -2.572 -8.543 -5.111 1.00 0.52 C ATOM 453 CG1 VAL A 57 -3.913 -7.839 -5.279 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.459 -9.160 -3.722 1.00 0.58 C ATOM 0 H VAL A 57 -3.226 -10.951 -4.835 1.00 0.52 H new ATOM 0 HA VAL A 57 -2.773 -9.063 -7.009 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.774 -7.808 -5.210 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.033 -7.093 -4.493 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -3.948 -7.349 -6.252 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.719 -8.570 -5.212 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.596 -8.385 -2.968 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.226 -9.925 -3.600 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.474 -9.611 -3.603 1.00 0.58 H new ATOM 464 N ILE A 58 -0.570 -10.999 -6.423 1.00 0.51 N ATOM 465 CA ILE A 58 0.835 -11.354 -6.529 1.00 0.57 C ATOM 466 C ILE A 58 1.311 -11.167 -7.960 1.00 0.57 C ATOM 467 O ILE A 58 0.701 -11.684 -8.894 1.00 0.66 O ATOM 468 CB ILE A 58 1.066 -12.597 -6.136 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.489 -12.832 -4.739 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.565 -12.894 -6.149 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.662 -14.247 -4.242 1.00 1.01 C ATOM 0 H ILE A 58 -1.221 -11.777 -6.530 1.00 0.51 H new ATOM 0 HA ILE A 58 1.391 -10.691 -5.866 1.00 0.57 H new ATOM 0 HB ILE A 58 0.574 -13.275 -6.833 1.00 0.70 H new ATOM 0 HG12 ILE A 58 0.968 -12.149 -4.038 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.573 -12.587 -4.748 1.00 0.93 H new ATOM 0 HG21 ILE A 58 2.735 -13.920 -5.823 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.953 -12.765 -7.160 1.00 1.09 H new ATOM 0 HG23 ILE A 58 3.078 -12.209 -5.474 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.229 -14.338 -3.246 1.00 1.01 H new ATOM 0 HD12 ILE A 58 0.159 -14.935 -4.921 1.00 1.01 H new ATOM 0 HD13 ILE A 58 1.724 -14.491 -4.200 1.00 1.01 H new ATOM 483 N GLY A 59 2.376 -10.388 -8.134 1.00 0.59 N ATOM 484 CA GLY A 59 2.817 -10.042 -9.468 1.00 0.66 C ATOM 485 C GLY A 59 2.070 -8.843 -9.985 1.00 0.56 C ATOM 486 O GLY A 59 2.309 -8.364 -11.094 1.00 0.65 O ATOM 0 H GLY A 59 2.936 -9.994 -7.378 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.887 -9.833 -9.459 1.00 0.66 H new ATOM 0 HA3 GLY A 59 2.663 -10.888 -10.137 1.00 0.66 H new ATOM 490 N LYS A 60 1.152 -8.366 -9.166 1.00 0.48 N ATOM 491 CA LYS A 60 0.321 -7.246 -9.507 1.00 0.45 C ATOM 492 C LYS A 60 0.914 -5.972 -8.938 1.00 0.38 C ATOM 493 O LYS A 60 1.439 -5.978 -7.830 1.00 0.43 O ATOM 494 CB LYS A 60 -1.079 -7.475 -8.949 1.00 0.49 C ATOM 495 CG LYS A 60 -2.051 -8.059 -9.958 1.00 0.80 C ATOM 496 CD LYS A 60 -1.720 -9.498 -10.312 1.00 1.12 C ATOM 497 CE LYS A 60 -2.625 -10.009 -11.420 1.00 1.27 C ATOM 498 NZ LYS A 60 -2.319 -11.415 -11.789 1.00 1.82 N ATOM 0 H LYS A 60 0.967 -8.753 -8.241 1.00 0.48 H new ATOM 0 HA LYS A 60 0.264 -7.146 -10.591 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.013 -8.145 -8.091 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.474 -6.527 -8.584 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -3.063 -8.010 -9.555 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -2.039 -7.453 -10.864 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -0.679 -9.568 -10.627 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -1.829 -10.128 -9.429 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -3.665 -9.937 -11.100 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -2.517 -9.373 -12.298 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -2.960 -11.722 -12.548 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -1.335 -11.481 -12.119 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -2.447 -12.028 -10.958 1.00 1.82 H new ATOM 512 N ASN A 61 0.850 -4.893 -9.696 1.00 0.43 N ATOM 513 CA ASN A 61 1.339 -3.615 -9.208 1.00 0.42 C ATOM 514 C ASN A 61 0.209 -2.873 -8.517 1.00 0.39 C ATOM 515 O ASN A 61 -0.796 -2.530 -9.147 1.00 0.42 O ATOM 516 CB ASN A 61 1.908 -2.764 -10.342 1.00 0.52 C ATOM 517 CG ASN A 61 2.728 -1.597 -9.823 1.00 0.58 C ATOM 518 OD1 ASN A 61 2.197 -0.531 -9.507 1.00 0.72 O ATOM 519 ND2 ASN A 61 4.034 -1.794 -9.738 1.00 0.71 N ATOM 0 H ASN A 61 0.469 -4.874 -10.642 1.00 0.43 H new ATOM 0 HA ASN A 61 2.145 -3.804 -8.499 1.00 0.42 H new ATOM 0 HB2 ASN A 61 2.530 -3.387 -10.985 1.00 0.52 H new ATOM 0 HB3 ASN A 61 1.091 -2.387 -10.957 1.00 0.52 H new ATOM 0 HD21 ASN A 61 4.641 -1.047 -9.400 1.00 0.71 H new ATOM 0 HD22 ASN A 61 4.433 -2.692 -10.010 1.00 0.71 H new ATOM 526 N PHE A 62 0.379 -2.635 -7.223 1.00 0.38 N ATOM 527 CA PHE A 62 -0.659 -2.012 -6.403 1.00 0.40 C ATOM 528 C PHE A 62 -1.083 -0.670 -6.976 1.00 0.47 C ATOM 529 O PHE A 62 -2.264 -0.367 -7.058 1.00 0.70 O ATOM 530 CB PHE A 62 -0.151 -1.821 -4.969 1.00 0.43 C ATOM 531 CG PHE A 62 -1.165 -1.217 -4.034 1.00 0.45 C ATOM 532 CD1 PHE A 62 -1.086 0.119 -3.675 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.198 -1.985 -3.519 1.00 0.51 C ATOM 534 CE1 PHE A 62 -2.015 0.677 -2.819 1.00 0.55 C ATOM 535 CE2 PHE A 62 -3.131 -1.432 -2.663 1.00 0.56 C ATOM 536 CZ PHE A 62 -3.034 -0.103 -2.305 1.00 0.53 C ATOM 0 H PHE A 62 1.232 -2.865 -6.713 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.526 -2.673 -6.400 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.162 -2.788 -4.574 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.733 -1.184 -4.990 1.00 0.43 H new ATOM 0 HD1 PHE A 62 -0.288 0.731 -4.069 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.274 -3.028 -3.790 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.946 1.721 -2.552 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -3.935 -2.039 -2.275 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.753 0.327 -1.624 1.00 0.53 H new ATOM 546 N PHE A 63 -0.108 0.103 -7.415 1.00 0.46 N ATOM 547 CA PHE A 63 -0.333 1.483 -7.805 1.00 0.55 C ATOM 548 C PHE A 63 -0.873 1.578 -9.227 1.00 0.66 C ATOM 549 O PHE A 63 -1.116 2.667 -9.740 1.00 0.91 O ATOM 550 CB PHE A 63 0.979 2.262 -7.685 1.00 0.57 C ATOM 551 CG PHE A 63 1.660 2.090 -6.352 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.447 0.975 -6.099 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.515 3.038 -5.353 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.072 0.812 -4.880 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.138 2.879 -4.130 1.00 1.04 C ATOM 556 CZ PHE A 63 2.917 1.764 -3.893 1.00 1.16 C ATOM 0 H PHE A 63 0.859 -0.206 -7.511 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.081 1.914 -7.139 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.657 1.940 -8.475 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.780 3.321 -7.848 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.572 0.225 -6.866 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.907 3.913 -5.532 1.00 0.77 H new ATOM 0 HE1 PHE A 63 3.682 -0.060 -4.698 1.00 1.10 H new ATOM 0 HE2 PHE A 63 2.016 3.626 -3.360 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.404 1.637 -2.937 1.00 1.16 H new ATOM 566 N LYS A 64 -1.074 0.434 -9.861 1.00 0.57 N ATOM 567 CA LYS A 64 -1.508 0.407 -11.249 1.00 0.72 C ATOM 568 C LYS A 64 -2.811 -0.353 -11.411 1.00 0.72 C ATOM 569 O LYS A 64 -3.807 0.192 -11.890 1.00 0.90 O ATOM 570 CB LYS A 64 -0.446 -0.249 -12.126 1.00 0.82 C ATOM 571 CG LYS A 64 0.866 0.511 -12.184 1.00 1.56 C ATOM 572 CD LYS A 64 0.699 1.902 -12.772 1.00 2.11 C ATOM 573 CE LYS A 64 2.033 2.617 -12.866 1.00 2.85 C ATOM 574 NZ LYS A 64 2.965 1.945 -13.810 1.00 3.58 N ATOM 0 H LYS A 64 -0.944 -0.485 -9.439 1.00 0.57 H new ATOM 0 HA LYS A 64 -1.662 1.441 -11.558 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -0.254 -1.256 -11.754 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -0.839 -0.352 -13.138 1.00 0.82 H new ATOM 0 HG2 LYS A 64 1.282 0.591 -11.180 1.00 1.56 H new ATOM 0 HG3 LYS A 64 1.583 -0.051 -12.783 1.00 1.56 H new ATOM 0 HD2 LYS A 64 0.250 1.830 -13.763 1.00 2.11 H new ATOM 0 HD3 LYS A 64 0.014 2.482 -12.153 1.00 2.11 H new ATOM 0 HE2 LYS A 64 1.870 3.645 -13.189 1.00 2.85 H new ATOM 0 HE3 LYS A 64 2.490 2.662 -11.877 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 3.750 2.587 -14.039 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 3.341 1.081 -13.370 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 2.456 1.696 -14.682 1.00 3.58 H new ATOM 588 N ASP A 65 -2.797 -1.612 -11.002 1.00 0.60 N ATOM 589 CA ASP A 65 -3.884 -2.526 -11.308 1.00 0.69 C ATOM 590 C ASP A 65 -5.049 -2.370 -10.340 1.00 0.74 C ATOM 591 O ASP A 65 -6.067 -1.768 -10.675 1.00 1.10 O ATOM 592 CB ASP A 65 -3.390 -3.973 -11.309 1.00 0.79 C ATOM 593 CG ASP A 65 -4.361 -4.901 -12.008 1.00 1.38 C ATOM 594 OD1 ASP A 65 -4.376 -4.910 -13.260 1.00 1.50 O ATOM 595 OD2 ASP A 65 -5.109 -5.622 -11.322 1.00 2.20 O ATOM 0 H ASP A 65 -2.041 -2.025 -10.455 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.245 -2.273 -12.305 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.419 -4.025 -11.802 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.244 -4.307 -10.282 1.00 0.79 H new ATOM 600 N VAL A 66 -4.894 -2.912 -9.139 1.00 0.70 N ATOM 601 CA VAL A 66 -5.997 -2.978 -8.186 1.00 0.82 C ATOM 602 C VAL A 66 -6.085 -1.704 -7.328 1.00 0.70 C ATOM 603 O VAL A 66 -6.772 -1.650 -6.306 1.00 0.80 O ATOM 604 CB VAL A 66 -5.872 -4.064 -7.431 1.00 1.05 C ATOM 605 CG1 VAL A 66 -4.755 -3.912 -6.399 1.00 1.45 C ATOM 606 CG2 VAL A 66 -7.192 -4.469 -6.783 1.00 1.77 C ATOM 0 H VAL A 66 -4.018 -3.312 -8.801 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.931 -3.044 -8.743 1.00 0.82 H new ATOM 0 HB VAL A 66 -5.586 -4.879 -8.096 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -4.685 -4.821 -5.802 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -3.808 -3.740 -6.911 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -4.974 -3.066 -5.748 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -7.040 -5.361 -6.176 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -7.551 -3.657 -6.151 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -7.929 -4.679 -7.558 1.00 1.77 H new ATOM 616 N ALA A 67 -5.386 -0.675 -7.774 1.00 0.56 N ATOM 617 CA ALA A 67 -5.427 0.635 -7.127 1.00 0.53 C ATOM 618 C ALA A 67 -4.734 1.684 -7.992 1.00 0.49 C ATOM 619 O ALA A 67 -3.621 2.116 -7.697 1.00 0.61 O ATOM 620 CB ALA A 67 -4.799 0.582 -5.738 1.00 0.60 C ATOM 0 H ALA A 67 -4.776 -0.718 -8.590 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.473 0.920 -7.011 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.844 1.570 -5.281 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.345 -0.129 -5.119 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.759 0.267 -5.821 1.00 0.60 H new ATOM 626 N PRO A 68 -5.389 2.099 -9.085 1.00 0.44 N ATOM 627 CA PRO A 68 -4.820 3.047 -10.050 1.00 0.47 C ATOM 628 C PRO A 68 -4.657 4.460 -9.489 1.00 0.55 C ATOM 629 O PRO A 68 -3.894 5.261 -10.035 1.00 0.81 O ATOM 630 CB PRO A 68 -5.835 3.056 -11.201 1.00 0.56 C ATOM 631 CG PRO A 68 -6.708 1.867 -10.973 1.00 0.69 C ATOM 632 CD PRO A 68 -6.728 1.655 -9.491 1.00 0.47 C ATOM 0 HA PRO A 68 -3.815 2.744 -10.343 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.419 3.977 -11.202 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.333 2.995 -12.167 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.713 2.040 -11.357 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -6.317 0.990 -11.488 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.512 2.239 -9.009 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -6.904 0.611 -9.233 1.00 0.47 H new ATOM 640 N CYS A 69 -5.356 4.770 -8.397 1.00 0.51 N ATOM 641 CA CYS A 69 -5.315 6.117 -7.836 1.00 0.61 C ATOM 642 C CYS A 69 -4.046 6.314 -7.009 1.00 0.59 C ATOM 643 O CYS A 69 -3.586 7.445 -6.846 1.00 0.81 O ATOM 644 CB CYS A 69 -6.562 6.413 -6.986 1.00 0.85 C ATOM 645 SG CYS A 69 -6.433 5.974 -5.213 1.00 0.81 S ATOM 0 H CYS A 69 -5.950 4.114 -7.890 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.305 6.822 -8.668 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -6.788 7.476 -7.063 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.408 5.875 -7.414 1.00 0.85 H new ATOM 0 HG CYS A 69 -7.452 6.462 -4.570 1.00 0.81 H new ATOM 650 N THR A 70 -3.324 5.219 -6.813 1.00 0.61 N ATOM 651 CA THR A 70 -2.131 5.251 -5.989 1.00 0.58 C ATOM 652 C THR A 70 -0.910 5.654 -6.819 1.00 0.55 C ATOM 653 O THR A 70 0.093 6.124 -6.287 1.00 0.64 O ATOM 654 CB THR A 70 -1.926 4.069 -5.444 1.00 0.63 C ATOM 655 OG1 THR A 70 -3.173 3.364 -5.346 1.00 1.33 O ATOM 656 CG2 THR A 70 -1.317 4.205 -4.057 1.00 1.07 C ATOM 0 H THR A 70 -3.544 4.306 -7.211 1.00 0.61 H new ATOM 0 HA THR A 70 -2.279 5.991 -5.203 1.00 0.58 H new ATOM 0 HB THR A 70 -1.231 3.516 -6.076 1.00 0.63 H new ATOM 0 HG1 THR A 70 -3.258 2.744 -6.100 1.00 1.33 H new ATOM 0 HG21 THR A 70 -1.158 3.215 -3.631 1.00 1.07 H new ATOM 0 HG22 THR A 70 -0.362 4.726 -4.128 1.00 1.07 H new ATOM 0 HG23 THR A 70 -1.993 4.772 -3.417 1.00 1.07 H new ATOM 664 N ASP A 71 -1.016 5.503 -8.136 1.00 0.55 N ATOM 665 CA ASP A 71 0.043 5.939 -9.044 1.00 0.63 C ATOM 666 C ASP A 71 0.146 7.457 -9.044 1.00 0.70 C ATOM 667 O ASP A 71 -0.606 8.140 -9.742 1.00 0.88 O ATOM 668 CB ASP A 71 -0.231 5.444 -10.460 1.00 0.76 C ATOM 669 CG ASP A 71 0.775 5.957 -11.470 1.00 0.96 C ATOM 670 OD1 ASP A 71 0.350 6.426 -12.549 1.00 1.85 O ATOM 671 OD2 ASP A 71 1.989 5.902 -11.189 1.00 1.34 O ATOM 0 H ASP A 71 -1.822 5.083 -8.599 1.00 0.55 H new ATOM 0 HA ASP A 71 0.986 5.516 -8.698 1.00 0.63 H new ATOM 0 HB2 ASP A 71 -0.221 4.354 -10.467 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -1.231 5.755 -10.761 1.00 0.76 H new ATOM 676 N SER A 72 1.060 7.978 -8.240 1.00 0.66 N ATOM 677 CA SER A 72 1.213 9.414 -8.056 1.00 0.77 C ATOM 678 C SER A 72 2.540 9.699 -7.361 1.00 0.76 C ATOM 679 O SER A 72 3.011 8.879 -6.579 1.00 0.71 O ATOM 680 CB SER A 72 0.058 9.982 -7.215 1.00 0.88 C ATOM 681 OG SER A 72 -1.189 9.866 -7.884 1.00 1.56 O ATOM 0 H SER A 72 1.717 7.418 -7.697 1.00 0.66 H new ATOM 0 HA SER A 72 1.197 9.894 -9.034 1.00 0.77 H new ATOM 0 HB2 SER A 72 0.009 9.455 -6.262 1.00 0.88 H new ATOM 0 HB3 SER A 72 0.254 11.030 -6.990 1.00 0.88 H new ATOM 0 HG SER A 72 -1.040 9.564 -8.804 1.00 1.56 H new ATOM 687 N PRO A 73 3.164 10.845 -7.652 1.00 0.90 N ATOM 688 CA PRO A 73 4.433 11.248 -7.026 1.00 0.99 C ATOM 689 C PRO A 73 4.388 11.223 -5.494 1.00 0.96 C ATOM 690 O PRO A 73 5.368 10.874 -4.842 1.00 1.05 O ATOM 691 CB PRO A 73 4.633 12.677 -7.530 1.00 1.13 C ATOM 692 CG PRO A 73 3.895 12.725 -8.821 1.00 1.17 C ATOM 693 CD PRO A 73 2.699 11.839 -8.639 1.00 1.05 C ATOM 0 HA PRO A 73 5.241 10.564 -7.285 1.00 0.99 H new ATOM 0 HB2 PRO A 73 4.240 13.406 -6.821 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.690 12.904 -7.669 1.00 1.13 H new ATOM 0 HG2 PRO A 73 3.594 13.744 -9.062 1.00 1.17 H new ATOM 0 HG3 PRO A 73 4.520 12.375 -9.642 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.837 12.396 -8.274 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.401 11.368 -9.575 1.00 1.05 H new ATOM 701 N GLU A 74 3.246 11.582 -4.918 1.00 0.91 N ATOM 702 CA GLU A 74 3.114 11.623 -3.462 1.00 0.96 C ATOM 703 C GLU A 74 2.723 10.262 -2.882 1.00 0.93 C ATOM 704 O GLU A 74 2.706 10.087 -1.667 1.00 1.25 O ATOM 705 CB GLU A 74 2.121 12.707 -3.010 1.00 1.07 C ATOM 706 CG GLU A 74 0.797 12.726 -3.761 1.00 0.90 C ATOM 707 CD GLU A 74 0.921 13.328 -5.143 1.00 1.59 C ATOM 708 OE1 GLU A 74 1.015 12.561 -6.117 1.00 2.56 O ATOM 709 OE2 GLU A 74 0.941 14.564 -5.263 1.00 1.58 O ATOM 0 H GLU A 74 2.404 11.847 -5.429 1.00 0.91 H new ATOM 0 HA GLU A 74 4.098 11.881 -3.071 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.916 12.570 -1.948 1.00 1.07 H new ATOM 0 HB3 GLU A 74 2.597 13.682 -3.120 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.416 11.708 -3.845 1.00 0.90 H new ATOM 0 HG3 GLU A 74 0.065 13.293 -3.186 1.00 0.90 H new ATOM 716 N PHE A 75 2.416 9.302 -3.747 1.00 0.80 N ATOM 717 CA PHE A 75 2.161 7.937 -3.297 1.00 0.79 C ATOM 718 C PHE A 75 3.268 7.008 -3.797 1.00 0.66 C ATOM 719 O PHE A 75 4.217 6.701 -3.075 1.00 0.66 O ATOM 720 CB PHE A 75 0.813 7.406 -3.799 1.00 0.87 C ATOM 721 CG PHE A 75 -0.406 8.148 -3.336 1.00 1.53 C ATOM 722 CD1 PHE A 75 -1.256 8.740 -4.260 1.00 2.26 C ATOM 723 CD2 PHE A 75 -0.723 8.227 -1.991 1.00 1.74 C ATOM 724 CE1 PHE A 75 -2.397 9.401 -3.847 1.00 3.20 C ATOM 725 CE2 PHE A 75 -1.861 8.888 -1.574 1.00 2.61 C ATOM 726 CZ PHE A 75 -2.699 9.474 -2.503 1.00 3.36 C ATOM 0 H PHE A 75 2.338 9.440 -4.755 1.00 0.80 H new ATOM 0 HA PHE A 75 2.139 7.958 -2.207 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.826 7.415 -4.889 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.718 6.365 -3.490 1.00 0.87 H new ATOM 0 HD1 PHE A 75 -1.023 8.683 -5.313 1.00 2.26 H new ATOM 0 HD2 PHE A 75 -0.074 7.767 -1.261 1.00 1.74 H new ATOM 0 HE1 PHE A 75 -3.051 9.859 -4.574 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -2.096 8.947 -0.522 1.00 2.61 H new ATOM 0 HZ PHE A 75 -3.590 9.989 -2.177 1.00 3.36 H new ATOM 736 N TYR A 76 3.136 6.583 -5.052 1.00 0.59 N ATOM 737 CA TYR A 76 4.113 5.716 -5.700 1.00 0.50 C ATOM 738 C TYR A 76 5.481 6.385 -5.736 1.00 0.47 C ATOM 739 O TYR A 76 6.503 5.729 -5.553 1.00 0.49 O ATOM 740 CB TYR A 76 3.645 5.376 -7.124 1.00 0.51 C ATOM 741 CG TYR A 76 4.548 4.420 -7.875 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.309 4.851 -8.954 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.633 3.085 -7.509 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.129 3.977 -9.643 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.450 2.204 -8.191 1.00 0.59 C ATOM 746 CZ TYR A 76 6.194 2.654 -9.259 1.00 0.65 C ATOM 747 OH TYR A 76 7.017 1.782 -9.938 1.00 0.79 O ATOM 0 H TYR A 76 2.346 6.832 -5.648 1.00 0.59 H new ATOM 0 HA TYR A 76 4.200 4.794 -5.126 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.646 4.944 -7.070 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.562 6.301 -7.695 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.259 5.886 -9.260 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.049 2.727 -6.674 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.716 4.329 -10.478 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.505 1.169 -7.888 1.00 0.59 H new ATOM 0 HH TYR A 76 7.058 0.929 -9.457 1.00 0.79 H new ATOM 757 N GLY A 77 5.488 7.694 -5.955 1.00 0.48 N ATOM 758 CA GLY A 77 6.727 8.440 -5.983 1.00 0.50 C ATOM 759 C GLY A 77 7.483 8.341 -4.673 1.00 0.52 C ATOM 760 O GLY A 77 8.684 8.086 -4.669 1.00 0.60 O ATOM 0 H GLY A 77 4.650 8.254 -6.115 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.355 8.068 -6.792 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.514 9.487 -6.200 1.00 0.50 H new ATOM 764 N LYS A 78 6.773 8.518 -3.562 1.00 0.53 N ATOM 765 CA LYS A 78 7.373 8.398 -2.234 1.00 0.60 C ATOM 766 C LYS A 78 7.776 6.959 -1.951 1.00 0.59 C ATOM 767 O LYS A 78 8.819 6.701 -1.348 1.00 0.66 O ATOM 768 CB LYS A 78 6.404 8.899 -1.157 1.00 0.69 C ATOM 769 CG LYS A 78 6.300 10.415 -1.092 1.00 0.77 C ATOM 770 CD LYS A 78 7.632 11.031 -0.693 1.00 1.17 C ATOM 771 CE LYS A 78 7.616 12.542 -0.818 1.00 1.41 C ATOM 772 NZ LYS A 78 8.900 13.140 -0.372 1.00 2.09 N ATOM 0 H LYS A 78 5.779 8.746 -3.554 1.00 0.53 H new ATOM 0 HA LYS A 78 8.270 9.018 -2.211 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.415 8.483 -1.348 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.726 8.523 -0.186 1.00 0.69 H new ATOM 0 HG2 LYS A 78 5.990 10.805 -2.062 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.532 10.701 -0.373 1.00 0.77 H new ATOM 0 HD2 LYS A 78 7.867 10.754 0.335 1.00 1.17 H new ATOM 0 HD3 LYS A 78 8.424 10.623 -1.322 1.00 1.17 H new ATOM 0 HE2 LYS A 78 7.425 12.820 -1.854 1.00 1.41 H new ATOM 0 HE3 LYS A 78 6.798 12.948 -0.223 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 8.764 13.610 0.546 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 9.616 12.392 -0.275 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 9.220 13.837 -1.074 1.00 2.09 H new ATOM 786 N PHE A 79 6.946 6.032 -2.400 1.00 0.52 N ATOM 787 CA PHE A 79 7.241 4.612 -2.291 1.00 0.50 C ATOM 788 C PHE A 79 8.563 4.283 -2.981 1.00 0.51 C ATOM 789 O PHE A 79 9.389 3.542 -2.453 1.00 0.56 O ATOM 790 CB PHE A 79 6.096 3.810 -2.915 1.00 0.48 C ATOM 791 CG PHE A 79 6.317 2.329 -2.910 1.00 0.51 C ATOM 792 CD1 PHE A 79 6.111 1.591 -1.759 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.732 1.674 -4.056 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.313 0.230 -1.750 1.00 0.67 C ATOM 795 CE2 PHE A 79 6.936 0.313 -4.054 1.00 0.61 C ATOM 796 CZ PHE A 79 6.725 -0.409 -2.896 1.00 0.65 C ATOM 0 H PHE A 79 6.054 6.240 -2.848 1.00 0.52 H new ATOM 0 HA PHE A 79 7.337 4.345 -1.239 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.175 4.031 -2.376 1.00 0.48 H new ATOM 0 HB3 PHE A 79 5.951 4.142 -3.943 1.00 0.48 H new ATOM 0 HD1 PHE A 79 5.788 2.089 -0.857 1.00 0.62 H new ATOM 0 HD2 PHE A 79 6.898 2.237 -4.962 1.00 0.53 H new ATOM 0 HE1 PHE A 79 6.148 -0.335 -0.845 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.260 -0.188 -4.954 1.00 0.61 H new ATOM 0 HZ PHE A 79 6.884 -1.477 -2.890 1.00 0.65 H new ATOM 806 N LYS A 80 8.762 4.873 -4.148 1.00 0.51 N ATOM 807 CA LYS A 80 9.957 4.620 -4.947 1.00 0.58 C ATOM 808 C LYS A 80 11.100 5.533 -4.518 1.00 0.63 C ATOM 809 O LYS A 80 12.257 5.302 -4.870 1.00 0.66 O ATOM 810 CB LYS A 80 9.667 4.822 -6.442 1.00 0.64 C ATOM 811 CG LYS A 80 8.532 3.960 -6.975 1.00 0.69 C ATOM 812 CD LYS A 80 8.801 2.476 -6.769 1.00 0.72 C ATOM 813 CE LYS A 80 9.933 1.966 -7.652 1.00 0.93 C ATOM 814 NZ LYS A 80 9.602 2.054 -9.099 1.00 1.09 N ATOM 0 H LYS A 80 8.109 5.535 -4.568 1.00 0.51 H new ATOM 0 HA LYS A 80 10.252 3.584 -4.782 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.426 5.871 -6.616 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.572 4.605 -7.010 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.603 4.233 -6.475 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.393 4.160 -8.037 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.049 2.296 -5.723 1.00 0.72 H new ATOM 0 HD3 LYS A 80 7.894 1.911 -6.983 1.00 0.72 H new ATOM 0 HE2 LYS A 80 10.835 2.544 -7.452 1.00 0.93 H new ATOM 0 HE3 LYS A 80 10.154 0.930 -7.394 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 9.859 1.162 -9.569 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 8.582 2.223 -9.212 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.133 2.838 -9.530 1.00 1.09 H new ATOM 828 N GLU A 81 10.769 6.558 -3.743 1.00 0.67 N ATOM 829 CA GLU A 81 11.754 7.532 -3.289 1.00 0.78 C ATOM 830 C GLU A 81 12.732 6.865 -2.333 1.00 0.67 C ATOM 831 O GLU A 81 13.946 7.081 -2.406 1.00 0.70 O ATOM 832 CB GLU A 81 11.054 8.715 -2.613 1.00 0.94 C ATOM 833 CG GLU A 81 11.985 9.852 -2.229 1.00 1.25 C ATOM 834 CD GLU A 81 11.236 11.071 -1.729 1.00 1.57 C ATOM 835 OE1 GLU A 81 10.856 11.924 -2.554 1.00 2.07 O ATOM 836 OE2 GLU A 81 11.019 11.187 -0.506 1.00 2.04 O ATOM 0 H GLU A 81 9.820 6.737 -3.414 1.00 0.67 H new ATOM 0 HA GLU A 81 12.309 7.910 -4.148 1.00 0.78 H new ATOM 0 HB2 GLU A 81 10.286 9.100 -3.284 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.545 8.358 -1.717 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.672 9.509 -1.456 1.00 1.25 H new ATOM 0 HG3 GLU A 81 12.590 10.130 -3.092 1.00 1.25 H new ATOM 843 N GLY A 82 12.196 6.025 -1.457 1.00 0.62 N ATOM 844 CA GLY A 82 13.032 5.274 -0.547 1.00 0.62 C ATOM 845 C GLY A 82 13.827 4.211 -1.272 1.00 0.62 C ATOM 846 O GLY A 82 14.945 3.890 -0.883 1.00 0.72 O ATOM 0 H GLY A 82 11.195 5.852 -1.362 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.713 5.952 -0.034 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.411 4.807 0.218 1.00 0.62 H new ATOM 850 N VAL A 83 13.241 3.672 -2.335 1.00 0.58 N ATOM 851 CA VAL A 83 13.912 2.679 -3.168 1.00 0.66 C ATOM 852 C VAL A 83 15.143 3.289 -3.834 1.00 0.73 C ATOM 853 O VAL A 83 16.247 2.756 -3.728 1.00 0.85 O ATOM 854 CB VAL A 83 13.101 2.214 -4.112 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.769 1.084 -4.890 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.776 1.746 -3.527 1.00 0.65 C ATOM 0 H VAL A 83 12.297 3.907 -2.642 1.00 0.58 H new ATOM 0 HA VAL A 83 14.210 1.856 -2.518 1.00 0.66 H new ATOM 0 HB VAL A 83 12.892 3.034 -4.799 1.00 0.68 H new ATOM 0 HG11 VAL A 83 13.087 0.718 -5.658 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.680 1.455 -5.360 1.00 0.83 H new ATOM 0 HG13 VAL A 83 14.018 0.271 -4.208 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.137 1.372 -4.327 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.958 0.950 -2.805 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.283 2.581 -3.029 1.00 0.65 H new ATOM 866 N ALA A 84 14.947 4.436 -4.479 1.00 0.70 N ATOM 867 CA ALA A 84 16.024 5.119 -5.190 1.00 0.81 C ATOM 868 C ALA A 84 17.126 5.576 -4.239 1.00 0.92 C ATOM 869 O ALA A 84 18.269 5.770 -4.650 1.00 1.14 O ATOM 870 CB ALA A 84 15.473 6.310 -5.958 1.00 0.85 C ATOM 0 H ALA A 84 14.047 4.914 -4.524 1.00 0.70 H new ATOM 0 HA ALA A 84 16.461 4.407 -5.890 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.286 6.811 -6.484 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.731 5.966 -6.679 1.00 0.85 H new ATOM 0 HB3 ALA A 84 15.007 7.007 -5.262 1.00 0.85 H new ATOM 876 N SER A 85 16.781 5.748 -2.971 1.00 0.92 N ATOM 877 CA SER A 85 17.749 6.181 -1.977 1.00 1.12 C ATOM 878 C SER A 85 18.380 4.977 -1.275 1.00 1.16 C ATOM 879 O SER A 85 19.511 4.586 -1.580 1.00 1.40 O ATOM 880 CB SER A 85 17.077 7.104 -0.958 1.00 1.38 C ATOM 881 OG SER A 85 16.351 8.133 -1.610 1.00 1.82 O ATOM 0 H SER A 85 15.840 5.594 -2.608 1.00 0.92 H new ATOM 0 HA SER A 85 18.542 6.733 -2.482 1.00 1.12 H new ATOM 0 HB2 SER A 85 16.405 6.525 -0.324 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.832 7.543 -0.306 1.00 1.38 H new ATOM 0 HG SER A 85 15.552 7.753 -2.032 1.00 1.82 H new ATOM 887 N GLY A 86 17.647 4.393 -0.342 1.00 1.12 N ATOM 888 CA GLY A 86 18.134 3.239 0.381 1.00 1.47 C ATOM 889 C GLY A 86 17.024 2.548 1.140 1.00 1.35 C ATOM 890 O GLY A 86 16.660 1.408 0.843 1.00 1.65 O ATOM 0 H GLY A 86 16.714 4.702 -0.070 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.590 2.537 -0.317 1.00 1.47 H new ATOM 0 HA3 GLY A 86 18.914 3.548 1.077 1.00 1.47 H new ATOM 894 N ASN A 87 16.469 3.251 2.116 1.00 1.30 N ATOM 895 CA ASN A 87 15.371 2.723 2.908 1.00 1.28 C ATOM 896 C ASN A 87 14.173 3.647 2.799 1.00 0.81 C ATOM 897 O ASN A 87 14.321 4.833 2.501 1.00 1.19 O ATOM 898 CB ASN A 87 15.778 2.569 4.384 1.00 1.94 C ATOM 899 CG ASN A 87 15.743 3.882 5.159 1.00 2.79 C ATOM 900 OD1 ASN A 87 14.719 4.243 5.743 1.00 3.50 O ATOM 901 ND2 ASN A 87 16.855 4.598 5.182 1.00 3.16 N ATOM 0 H ASN A 87 16.763 4.192 2.378 1.00 1.30 H new ATOM 0 HA ASN A 87 15.111 1.738 2.521 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.111 1.853 4.865 1.00 1.94 H new ATOM 0 HB3 ASN A 87 16.784 2.152 4.435 1.00 1.94 H new ATOM 0 HD21 ASN A 87 16.884 5.479 5.695 1.00 3.16 H new ATOM 0 HD22 ASN A 87 17.684 4.269 4.687 1.00 3.16 H new ATOM 908 N LEU A 88 12.988 3.110 3.018 1.00 0.61 N ATOM 909 CA LEU A 88 11.796 3.927 3.059 1.00 0.75 C ATOM 910 C LEU A 88 10.947 3.515 4.247 1.00 0.56 C ATOM 911 O LEU A 88 10.321 2.461 4.238 1.00 1.00 O ATOM 912 CB LEU A 88 11.008 3.804 1.744 1.00 1.61 C ATOM 913 CG LEU A 88 9.963 4.903 1.471 1.00 2.22 C ATOM 914 CD1 LEU A 88 8.713 4.704 2.309 1.00 2.96 C ATOM 915 CD2 LEU A 88 10.551 6.281 1.731 1.00 2.90 C ATOM 0 H LEU A 88 12.828 2.114 3.170 1.00 0.61 H new ATOM 0 HA LEU A 88 12.078 4.974 3.174 1.00 0.75 H new ATOM 0 HB2 LEU A 88 11.719 3.795 0.918 1.00 1.61 H new ATOM 0 HB3 LEU A 88 10.500 2.840 1.738 1.00 1.61 H new ATOM 0 HG LEU A 88 9.681 4.831 0.421 1.00 2.22 H new ATOM 0 HD11 LEU A 88 7.998 5.497 2.090 1.00 2.96 H new ATOM 0 HD12 LEU A 88 8.267 3.738 2.073 1.00 2.96 H new ATOM 0 HD13 LEU A 88 8.975 4.734 3.367 1.00 2.96 H new ATOM 0 HD21 LEU A 88 9.796 7.042 1.532 1.00 2.90 H new ATOM 0 HD22 LEU A 88 10.871 6.350 2.771 1.00 2.90 H new ATOM 0 HD23 LEU A 88 11.408 6.440 1.077 1.00 2.90 H new ATOM 927 N ASN A 89 10.976 4.334 5.286 1.00 0.54 N ATOM 928 CA ASN A 89 10.134 4.126 6.454 1.00 0.47 C ATOM 929 C ASN A 89 9.485 5.436 6.825 1.00 0.59 C ATOM 930 O ASN A 89 10.068 6.263 7.531 1.00 0.97 O ATOM 931 CB ASN A 89 10.922 3.583 7.650 1.00 0.50 C ATOM 932 CG ASN A 89 11.692 2.302 7.358 1.00 1.31 C ATOM 933 OD1 ASN A 89 11.176 1.199 7.524 1.00 2.24 O ATOM 934 ND2 ASN A 89 12.941 2.433 6.943 1.00 1.82 N ATOM 0 H ASN A 89 11.578 5.155 5.344 1.00 0.54 H new ATOM 0 HA ASN A 89 9.381 3.380 6.200 1.00 0.47 H new ATOM 0 HB2 ASN A 89 11.623 4.347 7.986 1.00 0.50 H new ATOM 0 HB3 ASN A 89 10.231 3.399 8.473 1.00 0.50 H new ATOM 0 HD21 ASN A 89 13.504 1.605 6.751 1.00 1.82 H new ATOM 0 HD22 ASN A 89 13.341 3.363 6.815 1.00 1.82 H new ATOM 941 N THR A 90 8.288 5.631 6.319 1.00 0.51 N ATOM 942 CA THR A 90 7.580 6.878 6.492 1.00 0.61 C ATOM 943 C THR A 90 6.137 6.630 6.888 1.00 0.53 C ATOM 944 O THR A 90 5.632 5.514 6.781 1.00 0.51 O ATOM 945 CB THR A 90 7.593 7.604 5.385 1.00 0.75 C ATOM 946 OG1 THR A 90 7.136 6.811 4.278 1.00 1.63 O ATOM 947 CG2 THR A 90 8.976 8.157 5.080 1.00 1.39 C ATOM 0 H THR A 90 7.780 4.932 5.778 1.00 0.51 H new ATOM 0 HA THR A 90 8.094 7.423 7.284 1.00 0.61 H new ATOM 0 HB THR A 90 6.924 8.451 5.540 1.00 0.75 H new ATOM 0 HG1 THR A 90 7.146 7.353 3.461 1.00 1.63 H new ATOM 0 HG21 THR A 90 8.938 8.746 4.163 1.00 1.39 H new ATOM 0 HG22 THR A 90 9.305 8.790 5.904 1.00 1.39 H new ATOM 0 HG23 THR A 90 9.678 7.333 4.953 1.00 1.39 H new ATOM 955 N MET A 91 5.498 7.664 7.382 1.00 0.55 N ATOM 956 CA MET A 91 4.071 7.629 7.647 1.00 0.51 C ATOM 957 C MET A 91 3.415 8.886 7.089 1.00 0.57 C ATOM 958 O MET A 91 3.606 9.993 7.596 1.00 0.75 O ATOM 959 CB MET A 91 3.777 7.447 9.145 1.00 0.60 C ATOM 960 CG MET A 91 4.445 8.465 10.052 1.00 1.14 C ATOM 961 SD MET A 91 4.105 8.154 11.796 1.00 1.61 S ATOM 962 CE MET A 91 4.996 9.509 12.557 1.00 1.77 C ATOM 0 H MET A 91 5.946 8.551 7.612 1.00 0.55 H new ATOM 0 HA MET A 91 3.643 6.763 7.142 1.00 0.51 H new ATOM 0 HB2 MET A 91 2.699 7.497 9.298 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.096 6.449 9.445 1.00 0.60 H new ATOM 0 HG2 MET A 91 5.522 8.446 9.885 1.00 1.14 H new ATOM 0 HG3 MET A 91 4.099 9.465 9.789 1.00 1.14 H new ATOM 0 HE1 MET A 91 4.883 9.456 13.640 1.00 1.77 H new ATOM 0 HE2 MET A 91 6.053 9.440 12.299 1.00 1.77 H new ATOM 0 HE3 MET A 91 4.595 10.456 12.196 1.00 1.77 H new ATOM 972 N PHE A 92 2.658 8.695 6.025 1.00 0.49 N ATOM 973 CA PHE A 92 2.081 9.792 5.266 1.00 0.55 C ATOM 974 C PHE A 92 0.593 9.911 5.579 1.00 0.48 C ATOM 975 O PHE A 92 -0.038 8.939 5.992 1.00 0.47 O ATOM 976 CB PHE A 92 2.302 9.520 3.773 1.00 0.72 C ATOM 977 CG PHE A 92 2.188 10.717 2.871 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.098 10.869 2.026 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.160 11.703 2.886 1.00 1.83 C ATOM 980 CE1 PHE A 92 0.985 11.981 1.212 1.00 2.19 C ATOM 981 CE2 PHE A 92 3.053 12.815 2.075 1.00 2.86 C ATOM 982 CZ PHE A 92 1.991 12.908 1.171 1.00 3.01 C ATOM 0 H PHE A 92 2.424 7.772 5.660 1.00 0.49 H new ATOM 0 HA PHE A 92 2.560 10.733 5.537 1.00 0.55 H new ATOM 0 HB2 PHE A 92 3.292 9.083 3.644 1.00 0.72 H new ATOM 0 HB3 PHE A 92 1.579 8.772 3.447 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.329 10.111 2.004 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.013 11.601 3.541 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.101 12.118 0.607 1.00 2.19 H new ATOM 0 HE2 PHE A 92 3.784 13.607 2.139 1.00 2.86 H new ATOM 0 HZ PHE A 92 1.964 13.707 0.444 1.00 3.01 H new ATOM 992 N GLU A 93 0.040 11.098 5.391 1.00 0.48 N ATOM 993 CA GLU A 93 -1.373 11.336 5.653 1.00 0.47 C ATOM 994 C GLU A 93 -2.082 11.735 4.367 1.00 0.45 C ATOM 995 O GLU A 93 -1.838 12.815 3.823 1.00 0.53 O ATOM 996 CB GLU A 93 -1.556 12.427 6.714 1.00 0.58 C ATOM 997 CG GLU A 93 -3.010 12.652 7.104 1.00 1.30 C ATOM 998 CD GLU A 93 -3.195 13.830 8.039 1.00 1.73 C ATOM 999 OE1 GLU A 93 -2.949 13.677 9.252 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -3.606 14.912 7.568 1.00 2.04 O ATOM 0 H GLU A 93 0.549 11.916 5.057 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.811 10.413 6.032 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -0.986 12.158 7.603 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -1.139 13.362 6.339 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -3.602 12.814 6.203 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -3.396 11.752 7.582 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.952 10.863 3.880 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.646 11.107 2.628 1.00 0.51 C ATOM 1009 C TYR A 94 -4.849 10.177 2.500 1.00 0.42 C ATOM 1010 O TYR A 94 -5.009 9.239 3.283 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.702 10.927 1.433 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.929 11.934 0.320 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -1.976 12.126 -0.670 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -4.089 12.700 0.265 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -2.170 13.044 -1.682 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -4.291 13.618 -0.746 1.00 1.83 C ATOM 1017 CZ TYR A 94 -3.329 13.788 -1.716 1.00 2.64 C ATOM 1018 OH TYR A 94 -3.528 14.705 -2.724 1.00 3.37 O ATOM 0 H TYR A 94 -3.193 9.982 4.333 1.00 0.44 H new ATOM 0 HA TYR A 94 -3.998 12.139 2.629 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.672 11.008 1.780 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.825 9.921 1.032 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -1.065 11.546 -0.648 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -4.845 12.574 1.026 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -1.417 13.179 -2.444 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -5.200 14.200 -0.776 1.00 1.83 H new ATOM 0 HH TYR A 94 -4.396 15.143 -2.601 1.00 3.37 H new ATOM 1028 N THR A 95 -5.697 10.452 1.524 1.00 0.46 N ATOM 1029 CA THR A 95 -6.906 9.686 1.321 1.00 0.46 C ATOM 1030 C THR A 95 -6.738 8.717 0.148 1.00 0.47 C ATOM 1031 O THR A 95 -5.883 8.912 -0.717 1.00 0.60 O ATOM 1032 CB THR A 95 -7.948 10.495 1.111 1.00 0.59 C ATOM 1033 OG1 THR A 95 -9.178 9.756 1.036 1.00 1.40 O ATOM 1034 CG2 THR A 95 -7.779 11.333 -0.153 1.00 1.09 C ATOM 0 H THR A 95 -5.564 11.210 0.855 1.00 0.46 H new ATOM 0 HA THR A 95 -7.097 9.106 2.224 1.00 0.46 H new ATOM 0 HB THR A 95 -7.989 11.170 1.966 1.00 0.59 H new ATOM 0 HG1 THR A 95 -9.099 8.934 1.564 1.00 1.40 H new ATOM 0 HG21 THR A 95 -8.650 11.975 -0.283 1.00 1.09 H new ATOM 0 HG22 THR A 95 -6.884 11.949 -0.064 1.00 1.09 H new ATOM 0 HG23 THR A 95 -7.682 10.674 -1.016 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.487 7.628 0.190 1.00 0.43 N ATOM 1043 CA PHE A 96 -7.533 6.679 -0.907 1.00 0.53 C ATOM 1044 C PHE A 96 -8.930 6.681 -1.495 1.00 0.62 C ATOM 1045 O PHE A 96 -9.867 6.137 -0.906 1.00 0.78 O ATOM 1046 CB PHE A 96 -7.159 5.283 -0.421 1.00 0.69 C ATOM 1047 CG PHE A 96 -5.706 5.141 -0.066 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -4.752 4.928 -1.048 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -5.296 5.220 1.256 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -3.416 4.797 -0.717 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -3.962 5.089 1.591 1.00 1.18 C ATOM 1052 CZ PHE A 96 -3.015 4.877 0.579 1.00 1.03 C ATOM 0 H PHE A 96 -8.078 7.378 0.983 1.00 0.43 H new ATOM 0 HA PHE A 96 -6.814 6.969 -1.673 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -7.764 5.037 0.452 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -7.408 4.558 -1.196 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -5.055 4.864 -2.083 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -6.028 5.386 2.033 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -2.685 4.630 -1.495 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -3.651 5.149 2.624 1.00 1.18 H new ATOM 0 HZ PHE A 96 -1.969 4.777 0.829 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.068 7.330 -2.634 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.359 7.470 -3.280 1.00 0.88 C ATOM 1064 C ASP A 97 -10.387 6.733 -4.616 1.00 0.95 C ATOM 1065 O ASP A 97 -9.680 7.088 -5.553 1.00 1.74 O ATOM 1066 CB ASP A 97 -10.704 8.960 -3.459 1.00 1.17 C ATOM 1067 CG ASP A 97 -9.696 9.729 -4.302 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -10.051 10.189 -5.410 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -8.532 9.863 -3.865 1.00 2.57 O ATOM 0 H ASP A 97 -8.297 7.772 -3.134 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.117 7.016 -2.641 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -11.688 9.042 -3.921 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -10.773 9.427 -2.477 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.191 5.680 -4.678 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.374 4.910 -5.905 1.00 1.30 C ATOM 1076 C TYR A 98 -12.458 3.860 -5.699 1.00 1.26 C ATOM 1077 O TYR A 98 -13.610 4.057 -6.081 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.063 4.237 -6.345 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.162 3.527 -7.676 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.071 2.142 -7.762 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -10.366 4.245 -8.848 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.180 1.496 -8.978 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -10.473 3.606 -10.066 1.00 2.79 C ATOM 1084 CZ TYR A 98 -10.380 2.232 -10.126 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.496 1.593 -11.339 1.00 3.21 O ATOM 0 H TYR A 98 -11.733 5.336 -3.885 1.00 1.21 H new ATOM 0 HA TYR A 98 -11.679 5.597 -6.695 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -9.279 4.992 -6.403 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.759 3.520 -5.582 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -9.913 1.563 -6.864 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -10.442 5.321 -8.805 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.109 0.420 -9.029 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -10.629 4.179 -10.968 1.00 2.79 H new ATOM 0 HH TYR A 98 -10.635 2.257 -12.046 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.083 2.757 -5.065 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.034 1.706 -4.731 1.00 1.70 C ATOM 1097 C GLN A 99 -13.535 1.910 -3.310 1.00 1.80 C ATOM 1098 O GLN A 99 -14.723 1.765 -3.027 1.00 2.28 O ATOM 1099 CB GLN A 99 -12.413 0.312 -4.908 1.00 2.11 C ATOM 1100 CG GLN A 99 -10.994 0.181 -4.378 1.00 2.28 C ATOM 1101 CD GLN A 99 -10.451 -1.229 -4.506 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -11.185 -2.212 -4.393 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -9.160 -1.336 -4.768 1.00 2.81 N ATOM 0 H GLN A 99 -11.125 2.567 -4.771 1.00 1.11 H new ATOM 0 HA GLN A 99 -13.879 1.766 -5.416 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -13.044 -0.420 -4.404 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -12.416 0.059 -5.968 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.343 0.867 -4.920 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -10.972 0.481 -3.330 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -8.586 -0.497 -4.854 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -8.738 -2.257 -4.884 1.00 2.81 H new ATOM 1112 N MET A 100 -12.623 2.265 -2.421 1.00 1.50 N ATOM 1113 CA MET A 100 -12.995 2.663 -1.078 1.00 1.55 C ATOM 1114 C MET A 100 -13.447 4.116 -1.107 1.00 1.40 C ATOM 1115 O MET A 100 -12.721 4.977 -1.607 1.00 1.30 O ATOM 1116 CB MET A 100 -11.816 2.488 -0.113 1.00 1.54 C ATOM 1117 CG MET A 100 -12.167 2.795 1.337 1.00 1.64 C ATOM 1118 SD MET A 100 -10.789 2.526 2.475 1.00 2.37 S ATOM 1119 CE MET A 100 -9.573 3.662 1.814 1.00 2.85 C ATOM 0 H MET A 100 -11.620 2.285 -2.607 1.00 1.50 H new ATOM 0 HA MET A 100 -13.809 2.030 -0.724 1.00 1.55 H new ATOM 0 HB2 MET A 100 -11.450 1.463 -0.181 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.000 3.139 -0.427 1.00 1.54 H new ATOM 0 HG2 MET A 100 -12.496 3.832 1.413 1.00 1.64 H new ATOM 0 HG3 MET A 100 -13.008 2.171 1.641 1.00 1.64 H new ATOM 0 HE1 MET A 100 -8.817 3.867 2.572 1.00 2.85 H new ATOM 0 HE2 MET A 100 -9.098 3.218 0.939 1.00 2.85 H new ATOM 0 HE3 MET A 100 -10.062 4.593 1.528 1.00 2.85 H new ATOM 1129 N THR A 101 -14.653 4.375 -0.617 1.00 1.46 N ATOM 1130 CA THR A 101 -15.179 5.727 -0.559 1.00 1.40 C ATOM 1131 C THR A 101 -14.227 6.613 0.237 1.00 1.14 C ATOM 1132 O THR A 101 -13.962 6.323 1.402 1.00 1.13 O ATOM 1133 CB THR A 101 -16.375 5.729 0.000 1.00 1.54 C ATOM 1134 OG1 THR A 101 -17.184 4.715 -0.619 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.063 7.080 -0.137 1.00 2.05 C ATOM 0 H THR A 101 -15.285 3.662 -0.254 1.00 1.46 H new ATOM 0 HA THR A 101 -15.269 6.117 -1.573 1.00 1.40 H new ATOM 0 HB THR A 101 -16.252 5.526 1.064 1.00 1.54 H new ATOM 0 HG1 THR A 101 -18.073 4.710 -0.207 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.044 7.038 0.336 1.00 2.05 H new ATOM 0 HG22 THR A 101 -16.459 7.847 0.348 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.180 7.323 -1.193 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.698 7.679 -0.407 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.626 8.532 0.107 1.00 1.00 C ATOM 1145 C PRO A 102 -12.490 8.551 1.630 1.00 0.92 C ATOM 1146 O PRO A 102 -13.155 9.322 2.322 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.033 9.905 -0.420 1.00 1.32 C ATOM 1148 CG PRO A 102 -13.756 9.634 -1.707 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.128 8.167 -1.726 1.00 1.44 C ATOM 0 HA PRO A 102 -11.647 8.178 -0.215 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.675 10.425 0.291 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -12.161 10.538 -0.584 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.648 10.256 -1.783 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.123 9.879 -2.560 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.199 8.028 -1.874 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -13.623 7.637 -2.533 1.00 1.44 H new ATOM 1157 N THR A 103 -11.653 7.661 2.143 1.00 0.73 N ATOM 1158 CA THR A 103 -11.327 7.648 3.557 1.00 0.70 C ATOM 1159 C THR A 103 -9.891 8.127 3.737 1.00 0.58 C ATOM 1160 O THR A 103 -9.048 7.886 2.869 1.00 0.54 O ATOM 1161 CB THR A 103 -11.453 6.436 4.077 1.00 0.81 C ATOM 1162 OG1 THR A 103 -12.681 5.836 3.634 1.00 1.34 O ATOM 1163 CG2 THR A 103 -11.435 6.465 5.598 1.00 1.40 C ATOM 0 H THR A 103 -11.187 6.937 1.597 1.00 0.73 H new ATOM 0 HA THR A 103 -12.022 8.309 4.075 1.00 0.70 H new ATOM 0 HB THR A 103 -10.601 5.848 3.736 1.00 0.81 H new ATOM 0 HG1 THR A 103 -12.769 5.949 2.664 1.00 1.34 H new ATOM 0 HG21 THR A 103 -11.541 5.451 5.983 1.00 1.40 H new ATOM 0 HG22 THR A 103 -10.491 6.887 5.943 1.00 1.40 H new ATOM 0 HG23 THR A 103 -12.260 7.078 5.960 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.618 8.844 4.816 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.281 9.355 5.055 1.00 0.59 C ATOM 1173 C LYS A 104 -7.594 8.529 6.124 1.00 0.58 C ATOM 1174 O LYS A 104 -8.096 8.391 7.243 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.319 10.826 5.473 1.00 0.75 C ATOM 1176 CG LYS A 104 -6.948 11.388 5.822 1.00 1.45 C ATOM 1177 CD LYS A 104 -7.015 12.849 6.227 1.00 1.90 C ATOM 1178 CE LYS A 104 -7.301 13.757 5.040 1.00 2.46 C ATOM 1179 NZ LYS A 104 -7.437 15.176 5.459 1.00 3.08 N ATOM 0 H LYS A 104 -10.301 9.083 5.535 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.718 9.281 4.125 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.750 11.415 4.664 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -8.979 10.935 6.334 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -6.515 10.806 6.636 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -6.284 11.280 4.965 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -7.792 12.981 6.980 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -6.071 13.141 6.688 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -6.496 13.668 4.310 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -8.217 13.433 4.546 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -7.631 15.767 4.626 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -8.221 15.264 6.137 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -6.554 15.491 5.909 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.455 7.970 5.767 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.696 7.143 6.679 1.00 0.47 C ATOM 1195 C VAL A 105 -4.275 7.669 6.811 1.00 0.40 C ATOM 1196 O VAL A 105 -3.847 8.536 6.046 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.652 5.871 6.290 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -7.043 5.251 6.294 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.011 5.721 4.920 1.00 0.94 C ATOM 0 H VAL A 105 -6.034 8.076 4.844 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.206 7.187 7.642 1.00 0.47 H new ATOM 0 HB VAL A 105 -5.030 5.338 7.009 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -6.979 4.212 5.972 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.458 5.294 7.301 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.689 5.803 5.611 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -4.994 4.668 4.639 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.587 6.283 4.185 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -3.991 6.104 4.952 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.571 7.179 7.810 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.156 7.437 7.927 1.00 0.42 C ATOM 1211 C LYS A 106 -1.424 6.184 7.502 1.00 0.40 C ATOM 1212 O LYS A 106 -1.574 5.126 8.116 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.780 7.835 9.356 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.304 8.156 9.524 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.021 8.819 10.863 1.00 0.83 C ATOM 1216 CE LYS A 106 -0.746 10.148 10.985 1.00 1.56 C ATOM 1217 NZ LYS A 106 -0.386 10.868 12.233 1.00 1.69 N ATOM 0 H LYS A 106 -3.959 6.598 8.553 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.875 8.274 7.287 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.369 8.704 9.650 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.047 7.024 10.034 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.279 7.239 9.442 1.00 0.71 H new ATOM 0 HG3 LYS A 106 0.020 8.813 8.717 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -0.332 8.157 11.672 1.00 0.83 H new ATOM 0 HD3 LYS A 106 1.052 8.976 10.974 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -0.505 10.772 10.124 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -1.822 9.977 10.963 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -0.903 11.769 12.275 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -0.639 10.284 13.056 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 0.637 11.055 12.243 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.651 6.301 6.442 1.00 0.37 N ATOM 1232 CA VAL A 107 -0.064 5.148 5.817 1.00 0.42 C ATOM 1233 C VAL A 107 1.412 5.048 6.169 1.00 0.40 C ATOM 1234 O VAL A 107 2.204 5.958 5.919 1.00 0.54 O ATOM 1235 CB VAL A 107 -0.266 5.155 4.496 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.247 6.433 3.836 1.00 1.26 C ATOM 1237 CG2 VAL A 107 0.338 3.934 3.832 1.00 1.27 C ATOM 0 H VAL A 107 -0.418 7.189 5.999 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.558 4.257 6.204 1.00 0.42 H new ATOM 0 HB VAL A 107 -1.346 5.123 4.352 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.059 6.389 2.763 1.00 1.26 H new ATOM 0 HG12 VAL A 107 -0.270 7.294 4.260 1.00 1.26 H new ATOM 0 HG13 VAL A 107 1.318 6.529 4.013 1.00 1.26 H new ATOM 0 HG21 VAL A 107 0.154 3.975 2.759 1.00 1.27 H new ATOM 0 HG22 VAL A 107 1.412 3.914 4.015 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -0.117 3.033 4.244 1.00 1.27 H new ATOM 1247 N HIS A 108 1.758 3.952 6.810 1.00 0.34 N ATOM 1248 CA HIS A 108 3.115 3.726 7.252 1.00 0.34 C ATOM 1249 C HIS A 108 3.787 2.735 6.324 1.00 0.32 C ATOM 1250 O HIS A 108 3.513 1.540 6.366 1.00 0.44 O ATOM 1251 CB HIS A 108 3.121 3.216 8.700 1.00 0.45 C ATOM 1252 CG HIS A 108 4.489 2.956 9.274 1.00 0.53 C ATOM 1253 ND1 HIS A 108 5.697 3.516 9.010 1.00 0.97 N flip ATOM 1254 CD2 HIS A 108 4.717 2.022 10.261 1.00 0.54 C flip ATOM 1255 CE1 HIS A 108 6.615 2.916 9.837 1.00 1.02 C flip ATOM 1256 NE2 HIS A 108 5.997 2.019 10.578 1.00 0.68 N flip ATOM 0 H HIS A 108 1.110 3.198 7.038 1.00 0.34 H new ATOM 0 HA HIS A 108 3.670 4.664 7.224 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.611 3.946 9.329 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.541 2.294 8.748 1.00 0.45 H new ATOM 0 HD1 HIS A 108 5.888 4.247 8.325 1.00 0.97 H new ATOM 0 HD2 HIS A 108 3.963 1.390 10.706 1.00 0.54 H new ATOM 0 HE1 HIS A 108 7.670 3.142 9.874 1.00 1.02 H new ATOM 1265 N MET A 109 4.661 3.253 5.485 1.00 0.30 N ATOM 1266 CA MET A 109 5.375 2.444 4.513 1.00 0.39 C ATOM 1267 C MET A 109 6.784 2.254 5.020 1.00 0.34 C ATOM 1268 O MET A 109 7.474 3.231 5.298 1.00 0.45 O ATOM 1269 CB MET A 109 5.390 3.136 3.145 1.00 0.65 C ATOM 1270 CG MET A 109 6.095 2.347 2.046 1.00 0.87 C ATOM 1271 SD MET A 109 5.161 0.899 1.519 1.00 2.22 S ATOM 1272 CE MET A 109 3.798 1.678 0.657 1.00 2.49 C ATOM 0 H MET A 109 4.897 4.245 5.456 1.00 0.30 H new ATOM 0 HA MET A 109 4.882 1.480 4.390 1.00 0.39 H new ATOM 0 HB2 MET A 109 4.362 3.326 2.836 1.00 0.65 H new ATOM 0 HB3 MET A 109 5.876 4.106 3.248 1.00 0.65 H new ATOM 0 HG2 MET A 109 6.263 2.998 1.188 1.00 0.87 H new ATOM 0 HG3 MET A 109 7.075 2.031 2.403 1.00 0.87 H new ATOM 0 HE1 MET A 109 3.146 0.911 0.239 1.00 2.49 H new ATOM 0 HE2 MET A 109 3.232 2.295 1.354 1.00 2.49 H new ATOM 0 HE3 MET A 109 4.186 2.302 -0.148 1.00 2.49 H new ATOM 1282 N LYS A 110 7.210 1.016 5.168 1.00 0.32 N ATOM 1283 CA LYS A 110 8.485 0.761 5.808 1.00 0.35 C ATOM 1284 C LYS A 110 9.195 -0.406 5.158 1.00 0.32 C ATOM 1285 O LYS A 110 8.567 -1.353 4.709 1.00 0.45 O ATOM 1286 CB LYS A 110 8.302 0.510 7.303 1.00 0.50 C ATOM 1287 CG LYS A 110 7.566 -0.771 7.641 1.00 0.97 C ATOM 1288 CD LYS A 110 7.613 -1.043 9.130 1.00 0.91 C ATOM 1289 CE LYS A 110 9.042 -1.223 9.624 1.00 1.31 C ATOM 1290 NZ LYS A 110 9.774 -2.268 8.854 1.00 1.57 N ATOM 0 H LYS A 110 6.704 0.185 4.861 1.00 0.32 H new ATOM 0 HA LYS A 110 9.105 1.649 5.682 1.00 0.35 H new ATOM 0 HB2 LYS A 110 9.283 0.486 7.777 1.00 0.50 H new ATOM 0 HB3 LYS A 110 7.759 1.351 7.736 1.00 0.50 H new ATOM 0 HG2 LYS A 110 6.529 -0.697 7.313 1.00 0.97 H new ATOM 0 HG3 LYS A 110 8.013 -1.605 7.100 1.00 0.97 H new ATOM 0 HD2 LYS A 110 7.144 -0.218 9.666 1.00 0.91 H new ATOM 0 HD3 LYS A 110 7.034 -1.939 9.355 1.00 0.91 H new ATOM 0 HE2 LYS A 110 9.575 -0.275 9.545 1.00 1.31 H new ATOM 0 HE3 LYS A 110 9.029 -1.494 10.680 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 10.471 -2.731 9.472 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 9.099 -2.977 8.502 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 10.264 -1.827 8.049 1.00 1.57 H new ATOM 1304 N LYS A 111 10.506 -0.341 5.133 1.00 0.37 N ATOM 1305 CA LYS A 111 11.299 -1.296 4.390 1.00 0.38 C ATOM 1306 C LYS A 111 11.489 -2.587 5.178 1.00 0.43 C ATOM 1307 O LYS A 111 11.554 -2.576 6.410 1.00 0.60 O ATOM 1308 CB LYS A 111 12.659 -0.673 4.066 1.00 0.49 C ATOM 1309 CG LYS A 111 13.357 -1.297 2.875 1.00 0.56 C ATOM 1310 CD LYS A 111 14.805 -0.847 2.784 1.00 1.03 C ATOM 1311 CE LYS A 111 15.550 -1.579 1.681 1.00 1.49 C ATOM 1312 NZ LYS A 111 15.075 -1.198 0.324 1.00 2.13 N ATOM 0 H LYS A 111 11.051 0.369 5.623 1.00 0.37 H new ATOM 0 HA LYS A 111 10.775 -1.544 3.467 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.523 0.392 3.877 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.305 -0.762 4.940 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.316 -2.383 2.955 1.00 0.56 H new ATOM 0 HG3 LYS A 111 12.831 -1.025 1.960 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.842 0.226 2.598 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.302 -1.023 3.738 1.00 1.03 H new ATOM 0 HE2 LYS A 111 16.616 -1.365 1.763 1.00 1.49 H new ATOM 0 HE3 LYS A 111 15.429 -2.654 1.816 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 14.857 -2.056 -0.221 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 14.218 -0.614 0.407 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 15.817 -0.657 -0.164 1.00 2.13 H new ATOM 1326 N ALA A 112 11.540 -3.692 4.455 1.00 0.44 N ATOM 1327 CA ALA A 112 11.885 -4.983 5.015 1.00 0.59 C ATOM 1328 C ALA A 112 12.674 -5.765 3.976 1.00 0.92 C ATOM 1329 O ALA A 112 12.645 -5.424 2.791 1.00 1.57 O ATOM 1330 CB ALA A 112 10.636 -5.746 5.430 1.00 0.96 C ATOM 0 H ALA A 112 11.341 -3.717 3.455 1.00 0.44 H new ATOM 0 HA ALA A 112 12.492 -4.843 5.910 1.00 0.59 H new ATOM 0 HB1 ALA A 112 10.921 -6.712 5.847 1.00 0.96 H new ATOM 0 HB2 ALA A 112 10.092 -5.173 6.181 1.00 0.96 H new ATOM 0 HB3 ALA A 112 9.998 -5.901 4.560 1.00 0.96 H new ATOM 1336 N LEU A 113 13.387 -6.791 4.402 1.00 1.01 N ATOM 1337 CA LEU A 113 14.181 -7.572 3.469 1.00 1.49 C ATOM 1338 C LEU A 113 13.319 -8.614 2.768 1.00 1.26 C ATOM 1339 O LEU A 113 12.432 -8.252 1.988 1.00 2.05 O ATOM 1340 CB LEU A 113 15.388 -8.214 4.166 1.00 2.52 C ATOM 1341 CG LEU A 113 16.559 -7.263 4.461 1.00 3.38 C ATOM 1342 CD1 LEU A 113 16.184 -6.229 5.515 1.00 3.91 C ATOM 1343 CD2 LEU A 113 17.783 -8.046 4.899 1.00 4.41 C ATOM 0 H LEU A 113 13.434 -7.101 5.373 1.00 1.01 H new ATOM 0 HA LEU A 113 14.571 -6.896 2.708 1.00 1.49 H new ATOM 0 HB2 LEU A 113 15.053 -8.653 5.106 1.00 2.52 H new ATOM 0 HB3 LEU A 113 15.753 -9.031 3.544 1.00 2.52 H new ATOM 0 HG LEU A 113 16.794 -6.730 3.540 1.00 3.38 H new ATOM 0 HD11 LEU A 113 17.035 -5.573 5.700 1.00 3.91 H new ATOM 0 HD12 LEU A 113 15.340 -5.638 5.160 1.00 3.91 H new ATOM 0 HD13 LEU A 113 15.909 -6.736 6.440 1.00 3.91 H new ATOM 0 HD21 LEU A 113 18.602 -7.356 5.104 1.00 4.41 H new ATOM 0 HD22 LEU A 113 17.550 -8.611 5.802 1.00 4.41 H new ATOM 0 HD23 LEU A 113 18.077 -8.734 4.107 1.00 4.41 H new ATOM 1355 N SER A 114 13.559 -9.898 3.053 1.00 1.21 N ATOM 1356 CA SER A 114 12.840 -10.984 2.386 1.00 1.56 C ATOM 1357 C SER A 114 12.948 -10.812 0.871 1.00 1.72 C ATOM 1358 O SER A 114 12.013 -11.103 0.121 1.00 2.36 O ATOM 1359 CB SER A 114 11.373 -10.984 2.827 1.00 2.13 C ATOM 1360 OG SER A 114 11.271 -11.050 4.240 1.00 2.55 O ATOM 0 H SER A 114 14.245 -10.209 3.741 1.00 1.21 H new ATOM 0 HA SER A 114 13.283 -11.941 2.663 1.00 1.56 H new ATOM 0 HB2 SER A 114 10.880 -10.082 2.464 1.00 2.13 H new ATOM 0 HB3 SER A 114 10.855 -11.833 2.381 1.00 2.13 H new ATOM 0 HG SER A 114 10.326 -11.047 4.500 1.00 2.55 H new ATOM 1366 N GLY A 115 14.118 -10.358 0.443 1.00 1.73 N ATOM 1367 CA GLY A 115 14.313 -9.920 -0.917 1.00 2.05 C ATOM 1368 C GLY A 115 14.580 -8.435 -0.945 1.00 1.87 C ATOM 1369 O GLY A 115 15.728 -8.003 -0.835 1.00 2.62 O ATOM 0 H GLY A 115 14.949 -10.286 1.030 1.00 1.73 H new ATOM 0 HA2 GLY A 115 15.149 -10.457 -1.365 1.00 2.05 H new ATOM 0 HA3 GLY A 115 13.430 -10.151 -1.513 1.00 2.05 H new ATOM 1373 N ASP A 116 13.510 -7.666 -1.071 1.00 1.38 N ATOM 1374 CA ASP A 116 13.549 -6.213 -0.928 1.00 1.29 C ATOM 1375 C ASP A 116 12.142 -5.671 -1.092 1.00 1.01 C ATOM 1376 O ASP A 116 11.704 -5.367 -2.203 1.00 1.32 O ATOM 1377 CB ASP A 116 14.490 -5.549 -1.943 1.00 1.58 C ATOM 1378 CG ASP A 116 14.657 -4.059 -1.690 1.00 2.09 C ATOM 1379 OD1 ASP A 116 14.149 -3.253 -2.498 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.285 -3.685 -0.677 1.00 2.42 O ATOM 0 H ASP A 116 12.581 -8.033 -1.277 1.00 1.38 H new ATOM 0 HA ASP A 116 13.939 -5.979 0.063 1.00 1.29 H new ATOM 0 HB2 ASP A 116 15.466 -6.033 -1.901 1.00 1.58 H new ATOM 0 HB3 ASP A 116 14.101 -5.703 -2.950 1.00 1.58 H new ATOM 1385 N SER A 117 11.416 -5.606 0.010 1.00 0.60 N ATOM 1386 CA SER A 117 10.029 -5.192 -0.018 1.00 0.36 C ATOM 1387 C SER A 117 9.713 -4.210 1.115 1.00 0.34 C ATOM 1388 O SER A 117 10.600 -3.818 1.871 1.00 0.54 O ATOM 1389 CB SER A 117 9.114 -6.425 0.032 1.00 0.35 C ATOM 1390 OG SER A 117 9.592 -7.391 0.954 1.00 1.07 O ATOM 0 H SER A 117 11.769 -5.836 0.939 1.00 0.60 H new ATOM 0 HA SER A 117 9.844 -4.663 -0.953 1.00 0.36 H new ATOM 0 HB2 SER A 117 8.106 -6.120 0.313 1.00 0.35 H new ATOM 0 HB3 SER A 117 9.047 -6.870 -0.961 1.00 0.35 H new ATOM 0 HG SER A 117 9.622 -8.270 0.521 1.00 1.07 H new ATOM 1396 N TYR A 118 8.457 -3.791 1.209 1.00 0.22 N ATOM 1397 CA TYR A 118 8.030 -2.845 2.201 1.00 0.24 C ATOM 1398 C TYR A 118 6.783 -3.359 2.888 1.00 0.24 C ATOM 1399 O TYR A 118 5.928 -3.986 2.262 1.00 0.26 O ATOM 1400 CB TYR A 118 7.732 -1.498 1.544 1.00 0.30 C ATOM 1401 CG TYR A 118 8.956 -0.845 0.975 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.305 -1.049 -0.343 1.00 0.42 C ATOM 1403 CD2 TYR A 118 9.743 -0.004 1.746 1.00 0.57 C ATOM 1404 CE1 TYR A 118 10.406 -0.430 -0.892 1.00 0.55 C ATOM 1405 CE2 TYR A 118 10.852 0.617 1.209 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.256 0.320 -0.035 1.00 0.67 C ATOM 1407 OH TYR A 118 12.267 1.032 -0.664 1.00 0.86 O ATOM 0 H TYR A 118 7.711 -4.107 0.590 1.00 0.22 H new ATOM 0 HA TYR A 118 8.825 -2.716 2.936 1.00 0.24 H new ATOM 0 HB2 TYR A 118 6.999 -1.641 0.750 1.00 0.30 H new ATOM 0 HB3 TYR A 118 7.279 -0.833 2.279 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.705 -1.705 -0.955 1.00 0.42 H new ATOM 0 HD2 TYR A 118 9.485 0.167 2.781 1.00 0.57 H new ATOM 0 HE1 TYR A 118 10.618 -0.513 -1.948 1.00 0.55 H new ATOM 0 HE2 TYR A 118 11.397 1.345 1.792 1.00 0.72 H new ATOM 0 HH TYR A 118 12.794 1.514 0.007 1.00 0.86 H new ATOM 1417 N TRP A 119 6.681 -3.085 4.160 1.00 0.27 N ATOM 1418 CA TRP A 119 5.494 -3.402 4.909 1.00 0.30 C ATOM 1419 C TRP A 119 4.698 -2.139 5.103 1.00 0.33 C ATOM 1420 O TRP A 119 5.094 -1.254 5.859 1.00 0.38 O ATOM 1421 CB TRP A 119 5.843 -4.005 6.266 1.00 0.36 C ATOM 1422 CG TRP A 119 6.134 -5.471 6.216 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.302 -6.067 5.852 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.230 -6.529 6.548 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.183 -7.431 5.936 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.918 -7.740 6.363 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.906 -6.564 6.987 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 5.323 -8.978 6.601 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 3.315 -7.789 7.222 1.00 0.63 C ATOM 1430 CH2 TRP A 119 4.023 -8.982 7.031 1.00 0.62 C ATOM 0 H TRP A 119 7.416 -2.637 4.706 1.00 0.27 H new ATOM 0 HA TRP A 119 4.911 -4.139 4.356 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.711 -3.485 6.672 1.00 0.36 H new ATOM 0 HB3 TRP A 119 5.016 -3.831 6.954 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.193 -5.542 5.542 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.916 -8.105 5.716 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.353 -5.649 7.140 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.867 -9.899 6.452 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 2.290 -7.828 7.559 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.534 -9.925 7.227 1.00 0.62 H new ATOM 1441 N VAL A 120 3.596 -2.034 4.398 1.00 0.33 N ATOM 1442 CA VAL A 120 2.772 -0.860 4.529 1.00 0.37 C ATOM 1443 C VAL A 120 1.568 -1.123 5.441 1.00 0.40 C ATOM 1444 O VAL A 120 1.037 -2.234 5.506 1.00 0.55 O ATOM 1445 CB VAL A 120 2.386 -0.405 3.339 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.264 -1.247 2.738 1.00 0.90 C ATOM 1447 CG2 VAL A 120 1.986 1.054 3.417 1.00 0.91 C ATOM 0 H VAL A 120 3.255 -2.735 3.740 1.00 0.33 H new ATOM 0 HA VAL A 120 3.377 -0.084 4.998 1.00 0.37 H new ATOM 0 HB VAL A 120 3.244 -0.489 2.672 1.00 0.40 H new ATOM 0 HG11 VAL A 120 0.982 -0.838 1.768 1.00 0.90 H new ATOM 0 HG12 VAL A 120 1.607 -2.274 2.613 1.00 0.90 H new ATOM 0 HG13 VAL A 120 0.401 -1.231 3.403 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.675 1.399 2.431 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.159 1.168 4.118 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.835 1.646 3.758 1.00 0.91 H new ATOM 1457 N PHE A 121 1.217 -0.114 6.225 1.00 0.39 N ATOM 1458 CA PHE A 121 0.120 -0.214 7.172 1.00 0.41 C ATOM 1459 C PHE A 121 -0.786 1.000 7.038 1.00 0.41 C ATOM 1460 O PHE A 121 -0.324 2.139 7.141 1.00 0.49 O ATOM 1461 CB PHE A 121 0.652 -0.297 8.609 1.00 0.48 C ATOM 1462 CG PHE A 121 1.647 -1.400 8.842 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.006 -1.153 8.762 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.219 -2.688 9.127 1.00 0.69 C ATOM 1465 CE1 PHE A 121 3.921 -2.168 8.964 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.130 -3.705 9.330 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.484 -3.434 9.297 1.00 0.73 C ATOM 0 H PHE A 121 1.684 0.793 6.222 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.444 -1.121 6.953 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.117 0.655 8.867 1.00 0.48 H new ATOM 0 HB3 PHE A 121 -0.190 -0.435 9.287 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.355 -0.156 8.539 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.161 -2.898 9.191 1.00 0.69 H new ATOM 0 HE1 PHE A 121 4.978 -1.971 8.861 1.00 0.65 H new ATOM 0 HE2 PHE A 121 1.784 -4.711 9.514 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.198 -4.210 9.531 1.00 0.73 H new ATOM 1477 N VAL A 122 -2.064 0.761 6.792 1.00 0.42 N ATOM 1478 CA VAL A 122 -3.029 1.846 6.663 1.00 0.51 C ATOM 1479 C VAL A 122 -3.914 1.953 7.905 1.00 0.54 C ATOM 1480 O VAL A 122 -4.833 1.159 8.109 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.783 1.715 5.574 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -3.009 2.176 4.348 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -4.275 0.282 5.375 1.00 1.16 C ATOM 0 H VAL A 122 -2.459 -0.172 6.677 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.453 2.766 6.564 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.664 2.342 5.712 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -3.633 2.066 3.461 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -2.729 3.223 4.467 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -2.110 1.570 4.237 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -4.885 0.229 4.473 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -3.419 -0.386 5.274 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -4.872 -0.021 6.236 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.636 2.946 8.740 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.429 3.172 9.935 1.00 0.66 C ATOM 1495 C LYS A 123 -5.346 4.368 9.729 1.00 0.55 C ATOM 1496 O LYS A 123 -4.877 5.473 9.460 1.00 0.51 O ATOM 1497 CB LYS A 123 -3.530 3.428 11.143 1.00 0.93 C ATOM 1498 CG LYS A 123 -4.289 3.450 12.458 1.00 1.36 C ATOM 1499 CD LYS A 123 -3.471 4.083 13.567 1.00 1.80 C ATOM 1500 CE LYS A 123 -3.378 5.593 13.403 1.00 2.62 C ATOM 1501 NZ LYS A 123 -4.703 6.259 13.555 1.00 3.31 N ATOM 0 H LYS A 123 -2.868 3.605 8.610 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.024 2.278 10.123 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -2.762 2.656 11.187 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.017 4.381 11.011 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -5.220 4.003 12.332 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -4.558 2.432 12.740 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -3.921 3.848 14.531 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -2.469 3.654 13.571 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -2.685 5.995 14.142 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -2.967 5.825 12.421 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -4.564 7.281 13.690 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -5.273 6.097 12.700 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -5.197 5.865 14.381 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.645 4.146 9.859 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.627 5.206 9.668 1.00 0.76 C ATOM 1517 C ARG A 124 -7.388 6.360 10.643 1.00 0.85 C ATOM 1518 O ARG A 124 -7.017 6.144 11.800 1.00 0.96 O ATOM 1519 CB ARG A 124 -9.045 4.638 9.827 1.00 1.03 C ATOM 1520 CG ARG A 124 -10.154 5.660 9.619 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.661 6.220 10.938 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.372 7.482 10.752 1.00 2.55 N ATOM 1523 CZ ARG A 124 -12.692 7.622 10.833 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -13.462 6.573 11.089 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -13.238 8.818 10.650 1.00 4.03 N ATOM 0 H ARG A 124 -7.046 3.239 10.097 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.519 5.603 8.658 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.180 3.823 9.116 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -9.143 4.210 10.825 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -9.785 6.475 8.996 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -10.980 5.196 9.080 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -11.324 5.495 11.410 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -9.821 6.372 11.616 1.00 2.10 H new ATOM 0 HE ARG A 124 -10.818 8.313 10.546 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -13.042 5.653 11.225 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -14.474 6.686 11.150 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -12.646 9.624 10.448 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -14.250 8.931 10.711 1.00 4.03 H new ATOM 1539 N VAL A 125 -7.565 7.580 10.153 1.00 1.06 N ATOM 1540 CA VAL A 125 -7.432 8.769 10.976 1.00 1.33 C ATOM 1541 C VAL A 125 -8.809 9.225 11.437 1.00 2.00 C ATOM 1542 O VAL A 125 -9.076 9.191 12.655 1.00 2.87 O ATOM 1543 CB VAL A 125 -6.837 9.758 10.321 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -6.644 10.968 11.229 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -5.504 9.314 9.740 1.00 2.08 C ATOM 1546 OXT VAL A 125 -9.638 9.569 10.568 1.00 2.26 O ATOM 0 H VAL A 125 -7.803 7.770 9.180 1.00 1.06 H new ATOM 0 HA VAL A 125 -6.811 8.513 11.834 1.00 1.33 H new ATOM 0 HB VAL A 125 -7.487 10.043 9.494 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -6.155 11.767 10.672 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -7.614 11.315 11.584 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -6.025 10.688 12.081 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -5.043 10.147 9.210 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -4.846 8.988 10.546 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -5.666 8.488 9.047 1.00 2.08 H new